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	<id>https://ims.ut.ee/api.php?action=feedcontributions&amp;feedformat=atom&amp;user=Vahur</id>
	<title>Intelligent Materials and Systems Lab - User contributions [en]</title>
	<link rel="self" type="application/atom+xml" href="https://ims.ut.ee/api.php?action=feedcontributions&amp;feedformat=atom&amp;user=Vahur"/>
	<link rel="alternate" type="text/html" href="https://ims.ut.ee/Special:Contributions/Vahur"/>
	<updated>2026-06-06T07:00:25Z</updated>
	<subtitle>User contributions</subtitle>
	<generator>MediaWiki 1.38.2</generator>
	<entry>
		<id>https://ims.ut.ee/index.php?title=ERA_Chair_holder_in_Materials_Research_in_Extreme_Environments&amp;diff=21420</id>
		<title>ERA Chair holder in Materials Research in Extreme Environments</title>
		<link rel="alternate" type="text/html" href="https://ims.ut.ee/index.php?title=ERA_Chair_holder_in_Materials_Research_in_Extreme_Environments&amp;diff=21420"/>
		<updated>2019-11-21T12:07:57Z</updated>

		<summary type="html">&lt;p&gt;Vahur: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;'''ERA Chair holder in Materials Research in Extreme Environments'''&lt;br /&gt;
&lt;br /&gt;
We are looking for an ambitious researcher who is interested in participating in shaping the research strategies of Institute of Technology in University of Tartu by taking the lead as ERA Chair holder! &lt;br /&gt;
&lt;br /&gt;
The ERA Chair will be institutionalised as an independent research laboratory under in University of Tartu, Institute of Technology, engaging ERA Chair holder and his/her team members. The formation of the ERA Chair of Materials in Extreme Environments (MATTER) will combine three challenging fields of computer simulations, nano-manipulation, and biomedical engineering, towards application in two directions – biomedical applications and nanomaterials in extreme environments.&lt;br /&gt;
&lt;br /&gt;
MATTER focuses on nanoscale material behaviour in complex environments and upscaling of control of nanomaterials for interdisciplinary and widespread use. MATTER enables breakthrough research in areas such as biomedical applications (nano-medicine, drug delivery, regenerative medicine), renewable energy sources, high electric field applications, high power microwave and radar equipment, materials research, ICT and electronics applications, MEMS &amp;amp; NEMS etc. &lt;br /&gt;
&lt;br /&gt;
[[File:European-union-logo-png-transparent.png|frameless|left|150px]]&lt;br /&gt;
&lt;br /&gt;
ERA Chair MATTER  has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 856705.&lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
&amp;lt;br&amp;gt;&lt;br /&gt;
&lt;br /&gt;
More information: http://bit.ly/35bdj6M or from vahur.zadin@ut.ee&lt;/div&gt;</summary>
		<author><name>Vahur</name></author>
	</entry>
	<entry>
		<id>https://ims.ut.ee/index.php?title=ERA_Chair_holder_in_Materials_Research_in_Extreme_Environments&amp;diff=21419</id>
		<title>ERA Chair holder in Materials Research in Extreme Environments</title>
		<link rel="alternate" type="text/html" href="https://ims.ut.ee/index.php?title=ERA_Chair_holder_in_Materials_Research_in_Extreme_Environments&amp;diff=21419"/>
		<updated>2019-11-21T12:06:39Z</updated>

		<summary type="html">&lt;p&gt;Vahur: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;'''ERA Chair holder in Materials Research in Extreme Environments'''&lt;br /&gt;
&lt;br /&gt;
We are looking for an ambitious researcher who is interested in participating in shaping the research strategies of Institute of Technology in University of Tartu by taking the lead as ERA Chair holder! &lt;br /&gt;
&lt;br /&gt;
The ERA Chair will be institutionalised as an independent research laboratory under in University of Tartu, Institute of Technology, engaging ERA Chair holder and his/her team members. The formation of the ERA Chair of Materials in Extreme Environments (MATTER) will combine three challenging fields of computer simulations, nano-manipulation, and biomedical engineering, towards application in two directions – biomedical applications and nanomaterials in extreme environments.&lt;br /&gt;
&lt;br /&gt;
MATTER focuses on nanoscale material behaviour in complex environments and upscaling of control of nanomaterials for interdisciplinary and widespread use. MATTER enables breakthrough research in areas such as biomedical applications (nano-medicine, drug delivery, regenerative medicine), renewable energy sources, high electric field applications, high power microwave and radar equipment, materials research, ICT and electronics applications, MEMS &amp;amp; NEMS etc. &lt;br /&gt;
&lt;br /&gt;
[[File:European-union-logo-png-transparent.png|frameless|left|150px]]&lt;br /&gt;
&lt;br /&gt;
ERA Chair MATTER  has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 856705.&lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
&amp;lt;br&amp;gt;&lt;br /&gt;
&lt;br /&gt;
More information: http://bit.ly/35bdj6M&lt;/div&gt;</summary>
		<author><name>Vahur</name></author>
	</entry>
	<entry>
		<id>https://ims.ut.ee/index.php?title=ERA_Chair_holder_in_Materials_Research_in_Extreme_Environments&amp;diff=21418</id>
		<title>ERA Chair holder in Materials Research in Extreme Environments</title>
		<link rel="alternate" type="text/html" href="https://ims.ut.ee/index.php?title=ERA_Chair_holder_in_Materials_Research_in_Extreme_Environments&amp;diff=21418"/>
		<updated>2019-11-21T12:06:05Z</updated>

		<summary type="html">&lt;p&gt;Vahur: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;'''ERA Chair holder in Materials Research in Extreme Environments'''&lt;br /&gt;
&lt;br /&gt;
We are looking for an ambitious researcher who is interested in participating in shaping the research strategies of Institute of Technology in University of Tartu by taking the lead as ERA Chair holder! &lt;br /&gt;
&lt;br /&gt;
The ERA Chair will be institutionalised as an independent research laboratory under in University of Tartu, Institute of Technology, engaging ERA Chair holder and his/her team members. The formation of the ERA Chair of Materials in Extreme Environments (MATTER) will combine three challenging fields of computer simulations, nano-manipulation, and biomedical engineering, towards application in two directions – biomedical applications and nanomaterials in extreme environments.&lt;br /&gt;
&lt;br /&gt;
MATTER focuses on nanoscale material behaviour in complex environments and upscaling of control of nanomaterials for interdisciplinary and widespread use. MATTER enables breakthrough research in areas such as biomedical applications (nano-medicine, drug delivery, regenerative medicine), renewable energy sources, high electric field applications, high power microwave and radar equipment, materials research, ICT and electronics applications, MEMS &amp;amp; NEMS etc. &lt;br /&gt;
&lt;br /&gt;
[[File:European-union-logo-png-transparent.png|frameless|left|150px]]&lt;br /&gt;
&lt;br /&gt;
ERA Chair MATTER  has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 856705.&lt;br /&gt;
&lt;br /&gt;
&amp;lt;br&amp;gt;&lt;br /&gt;
&lt;br /&gt;
More information: http://bit.ly/35bdj6M&lt;/div&gt;</summary>
		<author><name>Vahur</name></author>
	</entry>
	<entry>
		<id>https://ims.ut.ee/index.php?title=ERA_Chair_holder_in_Materials_Research_in_Extreme_Environments&amp;diff=21417</id>
		<title>ERA Chair holder in Materials Research in Extreme Environments</title>
		<link rel="alternate" type="text/html" href="https://ims.ut.ee/index.php?title=ERA_Chair_holder_in_Materials_Research_in_Extreme_Environments&amp;diff=21417"/>
		<updated>2019-11-21T12:05:50Z</updated>

		<summary type="html">&lt;p&gt;Vahur: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;'''ERA Chair holder in Materials Research in Extreme Environments'''&lt;br /&gt;
&lt;br /&gt;
We are looking for an ambitious researcher who is interested in participating in shaping the research strategies of Institute of Technology in University of Tartu by taking the lead as ERA Chair holder! &lt;br /&gt;
&lt;br /&gt;
The ERA Chair will be institutionalised as an independent research laboratory under in University of Tartu, Institute of Technology, engaging ERA Chair holder and his/her team members. The formation of the ERA Chair of Materials in Extreme Environments (MATTER) will combine three challenging fields of computer simulations, nano-manipulation, and biomedical engineering, towards application in two directions – biomedical applications and nanomaterials in extreme environments.&lt;br /&gt;
&lt;br /&gt;
MATTER focuses on nanoscale material behaviour in complex environments and upscaling of control of nanomaterials for interdisciplinary and widespread use. MATTER enables breakthrough research in areas such as biomedical applications (nano-medicine, drug delivery, regenerative medicine), renewable energy sources, high electric field applications, high power microwave and radar equipment, materials research, ICT and electronics applications, MEMS &amp;amp; NEMS etc. &lt;br /&gt;
&lt;br /&gt;
[[File:European-union-logo-png-transparent.png|frameless|left|150px]]&lt;br /&gt;
&lt;br /&gt;
ERA Chair MATTER  has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 856705.&lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
&amp;lt;br&amp;gt;&lt;br /&gt;
More information: http://bit.ly/35bdj6M&lt;/div&gt;</summary>
		<author><name>Vahur</name></author>
	</entry>
	<entry>
		<id>https://ims.ut.ee/index.php?title=ERA_Chair_holder_in_Materials_Research_in_Extreme_Environments&amp;diff=21416</id>
		<title>ERA Chair holder in Materials Research in Extreme Environments</title>
		<link rel="alternate" type="text/html" href="https://ims.ut.ee/index.php?title=ERA_Chair_holder_in_Materials_Research_in_Extreme_Environments&amp;diff=21416"/>
		<updated>2019-11-21T12:03:33Z</updated>

		<summary type="html">&lt;p&gt;Vahur: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;'''ERA Chair holder in Materials Research in Extreme Environments'''&lt;br /&gt;
&lt;br /&gt;
We are looking for an ambitious researcher who is interested in participating in shaping the research strategies of Institute of Technology in University of Tartu by taking the lead as ERA Chair holder! &lt;br /&gt;
&lt;br /&gt;
The ERA Chair will be institutionalised as an independent research laboratory under in University of Tartu, Institute of Technology, engaging ERA Chair holder and his/her team members. The formation of the ERA Chair of Materials in Extreme Environments (MATTER) will combine three challenging fields of computer simulations, nano-manipulation, and biomedical engineering, towards application in two directions – biomedical applications and nanomaterials in extreme environments.&lt;br /&gt;
&lt;br /&gt;
MATTER focuses on nanoscale material behaviour in complex environments and upscaling of control of nanomaterials for interdisciplinary and widespread use. MATTER enables breakthrough research in areas such as biomedical applications (nano-medicine, drug delivery, regenerative medicine), renewable energy sources, high electric field applications, high power microwave and radar equipment, materials research, ICT and electronics applications, MEMS &amp;amp; NEMS etc. &lt;br /&gt;
&lt;br /&gt;
[[File:European-union-logo-png-transparent.png|frameless|left|150px]]&lt;br /&gt;
&lt;br /&gt;
ERA Chair MATTER  has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 856705.&lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
&amp;lt;br&amp;gt;&lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
More information: http://bit.ly/35bdj6M&lt;/div&gt;</summary>
		<author><name>Vahur</name></author>
	</entry>
	<entry>
		<id>https://ims.ut.ee/index.php?title=ERA_Chair_holder_in_Materials_Research_in_Extreme_Environments&amp;diff=21415</id>
		<title>ERA Chair holder in Materials Research in Extreme Environments</title>
		<link rel="alternate" type="text/html" href="https://ims.ut.ee/index.php?title=ERA_Chair_holder_in_Materials_Research_in_Extreme_Environments&amp;diff=21415"/>
		<updated>2019-11-21T11:53:11Z</updated>

		<summary type="html">&lt;p&gt;Vahur: Created page with &amp;quot;'''ERA Chair holder in Materials Research in Extreme Environments'''  We are looking for an ambitious researcher who is interested in participating in shaping the research str...&amp;quot;&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;'''ERA Chair holder in Materials Research in Extreme Environments'''&lt;br /&gt;
&lt;br /&gt;
We are looking for an ambitious researcher who is interested in participating in shaping the research strategies of Institute of Technology in University of Tartu by taking the lead as ERA Chair holder! &lt;br /&gt;
&lt;br /&gt;
The ERA Chair will be institutionalised as an independent research laboratory under in University of Tartu, Institute of Technology, engaging ERA Chair holder and his/her team members. The formation of the ERA Chair of Materials in Extreme Environments (MATTER) will combine three challenging fields of computer simulations, nano-manipulation, and biomedical engineering, towards application in two directions – biomedical applications and nanomaterials in extreme environments.&lt;br /&gt;
&lt;br /&gt;
MATTER focuses on nanoscale material behaviour in complex environments and upscaling of control of nanomaterials for interdisciplinary and widespread use. MATTER enables breakthrough research in areas such as biomedical applications (nano-medicine, drug delivery, regenerative medicine), renewable energy sources, high electric field applications, high power microwave and radar equipment, materials research, ICT and electronics applications, MEMS &amp;amp; NEMS etc. &lt;br /&gt;
&lt;br /&gt;
[[File:European-union-logo-png-transparent.png|thumb|left|100px]]&lt;br /&gt;
ERA Chair MATTER  has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 856705.&lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
&amp;lt;br&amp;gt;&lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
More information: http://bit.ly/35bdj6M&lt;/div&gt;</summary>
		<author><name>Vahur</name></author>
	</entry>
	<entry>
		<id>https://ims.ut.ee/index.php?title=File:European-union-logo-png-transparent.png&amp;diff=21414</id>
		<title>File:European-union-logo-png-transparent.png</title>
		<link rel="alternate" type="text/html" href="https://ims.ut.ee/index.php?title=File:European-union-logo-png-transparent.png&amp;diff=21414"/>
		<updated>2019-11-21T11:49:26Z</updated>

		<summary type="html">&lt;p&gt;Vahur: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;EC-logo&lt;/div&gt;</summary>
		<author><name>Vahur</name></author>
	</entry>
	<entry>
		<id>https://ims.ut.ee/index.php?title=Job_Offers&amp;diff=21411</id>
		<title>Job Offers</title>
		<link rel="alternate" type="text/html" href="https://ims.ut.ee/index.php?title=Job_Offers&amp;diff=21411"/>
		<updated>2019-11-21T11:44:27Z</updated>

		<summary type="html">&lt;p&gt;Vahur: /* Positions */&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;== Research Areas ==&lt;br /&gt;
&lt;br /&gt;
We are looking for motivated students, PhD students and scientists in the following research areas:&lt;br /&gt;
&lt;br /&gt;
* Modeling polymer materials (Quantum chemistry, molecular dynamics, FEM)&lt;br /&gt;
* Synthesis and design of electroactive polymer materials and actuators.&lt;br /&gt;
* Physical and chemical characterization of polymer materials.&lt;br /&gt;
* Cyclic flow-electrode capacitor development &lt;br /&gt;
* Electromechanical characterization and validation of electroactive polymer actuators and sensors.&lt;br /&gt;
* Electromecahnical modelling of EAP materials (FEM, Electromechanicalmodels)&lt;br /&gt;
* Radiation damage of materials&lt;br /&gt;
* Biologially inspired robotics&lt;br /&gt;
* Image processing&lt;br /&gt;
* Applications of robotics&lt;br /&gt;
&lt;br /&gt;
== Positions ==&lt;br /&gt;
* [[ERA Chair holder in Materials Research in Extreme Environments]]&lt;br /&gt;
* [[PhD student positions, 2019]]&lt;/div&gt;</summary>
		<author><name>Vahur</name></author>
	</entry>
	<entry>
		<id>https://ims.ut.ee/index.php?title=Computational_Materials&amp;diff=21410</id>
		<title>Computational Materials</title>
		<link rel="alternate" type="text/html" href="https://ims.ut.ee/index.php?title=Computational_Materials&amp;diff=21410"/>
		<updated>2019-11-21T11:42:24Z</updated>

		<summary type="html">&lt;p&gt;Vahur: /* Ongoing Activities */&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;== Our vision, goal and what we do ==&lt;br /&gt;
&lt;br /&gt;
[[File:multiscale.png|200px|thumb|right| Simulations heat transfer and mechanical stress of FCC metal in multiscale framework.]]&lt;br /&gt;
&lt;br /&gt;
Computer simulations are some of the most fascinating tools made available due to the development of modern computational technology. Simulations in physics, chemistry, materials science, engineering etc. allow us to obtain detailed information of the phenomena of interest and provide often complete 3D and time dependent information of quantities like electromagnetic fields, temperature, forces and mechanical stresses, deformations. Such information leads to deep insights and understanding of nature around us, opening ways to understand complex physical and chemical processes and to the development of novel technologies and applications.&lt;br /&gt;
&lt;br /&gt;
The simulation activities conducted in the lab involve all levels from atomistic to macroscopic (DFT -&amp;gt; Molecular Dynamics -&amp;gt; Monter Carlo -&amp;gt; Finite Elements), including combinations of these methods i.e. multi scale simulations. The core capacity involves both, computational studies of materials and development of new methodology. &lt;br /&gt;
&lt;br /&gt;
Some examples of applications:&lt;br /&gt;
&lt;br /&gt;
* Mechanics&lt;br /&gt;
* CFD (turbulent &amp;amp; laminar)  &lt;br /&gt;
* Heat transport&lt;br /&gt;
* Electric and magnetic fields&lt;br /&gt;
* Chemical reactions&lt;br /&gt;
* Acoustics&lt;br /&gt;
* Multiphysics combinations of these phenomena!&lt;br /&gt;
&lt;br /&gt;
=== Image gallery ===&lt;br /&gt;
&lt;br /&gt;
&amp;lt;gallery mode=&amp;quot;packed-hover&amp;quot;&amp;gt;&lt;br /&gt;
file:multiscale.png|''Multiscaling with FEM in nano-contact''&lt;br /&gt;
file:strainsfinal_facebook.jpg|&amp;quot;Shear strain field around nanovoid in MD and FEM&amp;quot;&lt;br /&gt;
file:tension2.gif|&amp;quot;Animation of stress and deformation in Cu during tensile testing&amp;quot;&lt;br /&gt;
file:Foam_Graphical_abstract_png.png|&amp;quot;Ionic transport in 3D microbattery.&amp;quot;&lt;br /&gt;
&amp;lt;/gallery&amp;gt;&lt;br /&gt;
&lt;br /&gt;
=== Tools we use ===&lt;br /&gt;
* Comsol Multiphysics  [https://www.comsol.com/]&lt;br /&gt;
* LAMMPS [http://lammps.sandia.gov/]&lt;br /&gt;
* DEAL.II open source finite element library [http://dealii.org/]&lt;br /&gt;
* OpenFOAM CFD [https://www.openfoam.com/]&lt;br /&gt;
* FEMOCS (https://github.com/veskem/femocs)&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
== Research Projects ==&lt;br /&gt;
=== Ongoing Activities ===&lt;br /&gt;
* [https://edukad.etag.ee/project/4359 Horizon 2020 ERA Chair MATTER]&lt;br /&gt;
* [[PUT 1372 - Mechanisms of vacuum arching in high electric field systems]]&lt;br /&gt;
&lt;br /&gt;
=== Ongoing PhD Projects ===&lt;br /&gt;
* [[Computer assisted design and development of tailored nanostructures]]&lt;br /&gt;
* [[Mechanisms of vacuum arching in high electric field systems]]&lt;br /&gt;
* [[Development and optimization of flow electrode capacitor technology]]&lt;br /&gt;
&lt;br /&gt;
=== Glory and Success ===&lt;br /&gt;
* [https://novaator.err.ee/944778/mis-suunas-areneb-nanotehnoloogia Novaator - mis suunas areneb nanotehnoloogia]&lt;br /&gt;
* [http://bonnier2b.ee/trykised/innovatiiv_2017.pdf Arvutisimulatsioonid ja nende rakendused disainis]&lt;br /&gt;
* [https://www.uttv.ee/naita?id=26381 Tartu Ülikooli demopäev - Arvutisimulatsioonid tootearenduses]&lt;br /&gt;
* [[PUT 57 - Multiscale simulations of dislocation generation in rf electric fields in the linear accelerator design (01.01.2013 - 31.12.2016)]]&lt;br /&gt;
* [[ETF 9216 - Development and optimization of 3D-microbatteries (01.01.2012-31.21.2015)]]&lt;br /&gt;
&lt;br /&gt;
=== Student projects  ===&lt;br /&gt;
* [[Materjalidefektide simuleerimine kõrgetes elektriväljades]]&lt;br /&gt;
* [[Järgmise generatsiooni bioreaktorid]]&lt;br /&gt;
* [[Ehitiste konstruktsioonielementide multiskaala mudelite arendamine]]&lt;br /&gt;
* [[Virtuaalreaalsus keskkonnad teaduarvutusteks ja andmeanalüüsiks]]&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
== Members ==&lt;br /&gt;
&lt;br /&gt;
{{Team|&lt;br /&gt;
{{TeamMember|Vahur|Vahur Zadin|senior researcher (finite element modelling, molecular dynamics, high electric fields, CERN))}}&lt;br /&gt;
{{TeamMember|Tarmo|Tarmo Tamm|seniour researcher}}&lt;br /&gt;
{{TeamMember|Heiki|Heiki Kasemägi|senior researcher (ion-conducting polymer, computer simulations) &amp;amp; Computer engineering study programme manager}}&lt;br /&gt;
{{TeamMember|Alvo|Alvo Aabloo| professor, head of the IMS lab}}&lt;br /&gt;
{{TeamMember|Kristiankuppart|Kristian Kuppart|PhD student (MD in high electric fields)}}&lt;br /&gt;
{{TeamMember|Faiza|Faiza Summer|PhD student (Flow-capacitor)}}&lt;br /&gt;
{{TeamMember|Ats.aasmaa|Ats Aasmaa|student (modelling of microbatteries)}}&lt;br /&gt;
{{TeamMember|Mihkel.Veske|Mihkel Veske|in Helsinki University}}&lt;br /&gt;
{{TeamMember|ye.wang|Ye Wang|PhD student (Design and development of tailored nanostructures)}}&lt;br /&gt;
}}&lt;br /&gt;
&lt;br /&gt;
=== Friends and collaborators ===&lt;br /&gt;
&lt;br /&gt;
* Flyura Djurabekova (Helsinki University)&lt;br /&gt;
* Ville Jansson (Helsinki University)&lt;br /&gt;
* Walter Wuench (CERN)&lt;br /&gt;
* Daniel Brandell (Uppsala University)&lt;br /&gt;
* Sergei Vlassov (UT, Institute of Physics)&lt;br /&gt;
&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
==Publications==&lt;br /&gt;
(All references in Harvard style from Google Scholar)&lt;br /&gt;
&lt;br /&gt;
# [[Data sets of migration barriers for atomistic Kinetic Monte Carlo simulations of Cu self-diffusion via first nearest neighbour atomic jumps. Data in Brief, 17, pp.739-743|Baibuz, E., Vigonski, S., Lahtinen, J., Zhao, J., Jansson, V., Zadin, V. and Djurabekova, F., 2018. Data sets of migration barriers for atomistic Kinetic Monte Carlo simulations of Cu self-diffusion via first nearest neighbour atomic jumps. Data in Brief, 17, pp.739-743]]&lt;br /&gt;
# Zadin, V., Veske, M., Vigonski, S., Jansson, V., Muszynski, J., Parviainen, S., Aabloo, A. and Djurabekova, F., 2018. Simulations of surface stress effects in nanoscale single crystals. Modelling and Simulation in Materials Science and Engineering.&lt;br /&gt;
# Metspalu, T., Jansson, V., Zadin, V., Avchaciov, K., Nordlund, K., Aabloo, A. and Djurabekova, F., 2018. Cu self-sputtering MD simulations for 0.1–5 keV ions at elevated temperatures. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 415, pp.31-40.&lt;br /&gt;
# Vigonski, S., Jansson, V., Vlassov, S., Polyakov, B., Baibuz, E., Oras, S., Aabloo, A., Djurabekova, F. and Zadin, V., 2017. Au nanowire junction breakup through surface atom diffusion. Nanotechnology, 29(1), p.015704.&lt;br /&gt;
#Kyritsakis, A., Veske, M., Eimre, K., Zadin, V. and Djurabekova, F., 2017. Thermal runaway and evaporation of metal nano-tips during intense electron emission. arXiv preprint arXiv:1710.00050.&lt;br /&gt;
#Priimägi, P., Kasemägi, H., Aabloo, A., Brandell, D. and Zadin, V., 2017. Thermal Simulations of Polymer Electrolyte 3D Li-Microbatteries. Electrochimica Acta, 244, pp.129-138.&lt;br /&gt;
#Baibuz, E., Vigonski, S., Lahtinen, J., Zhao, J., Jansson, V., Zadin, V. and Djurabekova, F., 2017. Migration barriers for surface diffusion on a rigid lattice: challenges and solutions. arXiv preprint arXiv:1707.05765.&lt;br /&gt;
#Veske, M., Kyritsakis, A., Eimre, K., Zadin, V., Aabloo, A. and Djurabekova, F., 2017. Dynamic coupling of a finite element solver to large-scale atomistic simulations. arXiv preprint arXiv:1706.09661.&lt;br /&gt;
#Yanagisawa, H., Zadin, V., Kunze, K., Hafner, C., Aabloo, A., Kim, D.E., Kling, M.F., Djurabekova, F., Osterwalder, J. and Wuensch, W., 2016. Laser-induced asymmetric faceting and growth of a nano-protrusion on a tungsten tip. APL Photonics, 1(9), p.091305.&lt;br /&gt;
#Mets, M., Antsov, M., Zadin, V., Dorogin, L.M., Aabloo, A., Polyakov, B., Lõhmus, R. and Vlassov, S., 2016. Structural factor in bending testing of fivefold twinned nanowires revealed by finite element analysis. Physica Scripta, 91(11), p.115701.&lt;br /&gt;
#CLIC, T., Boland, M.J., Felzmann, U., Giansiracusa, P.J., Lucas, T.G., Rassool, R.P., Balazs, C., Charles, T.K., Afanaciev, K., Emeliantchik, I. and Ignatenko, A., 2016. Updated baseline for a staged Compact Linear Collider. arXiv preprint arXiv:1608.07537.&lt;br /&gt;
#Priimägi, P., Brandell, D., Srivastav, S., Aabloo, A., Kasemägi, H. and Zadin, V., 2016. Optimizing the design of 3D-pillar microbatteries using finite element modelling. Electrochimica Acta, 209, pp.138-148.&lt;br /&gt;
#Veske, M., Kyritsakis, A., Djurabekova, F., Aare, R., Eimre, K. and Zadin, V., 2016, July. Atomistic modeling of metal surfaces under high electric fields: Direct coupling of electric fields to the atomistic simulations. In Vacuum Nanoelectronics Conference (IVNC), 2016 29th International (pp. 1-2). IEEE.&lt;br /&gt;
#Veske, M., Parviainen, S., Zadin, V., Aabloo, A. and Djurabekova, F., 2016. Electrodynamics—molecular dynamics simulations of the stability of Cu nanotips under high electric field. Journal of Physics D: Applied Physics, 49(21), p.215301.&lt;br /&gt;
#Vigonski, S., Veske, M., Aabloo, A., Djurabekova, F. and Zadin, V., 2015. Verification of a multiscale surface stress model near voids in copper under the load induced by external high electric field. Applied Mathematics and Computation, 267, pp.476-486.&lt;br /&gt;
#Zadin, V., Kasemägi, H., Valdna, V., Vigonski, S., Veske, M. and Aabloo, A., 2015. Application of multiphysics and multiscale simulations to optimize industrial wood drying kilns. Applied Mathematics and Computation, 267, pp.465-475.&lt;br /&gt;
#Eimre, K., Parviainen, S., Aabloo, A., Djurabekova, F. and Zadin, V., 2015. Application of the general thermal field model to simulate the behaviour of nanoscale Cu field emitters. Journal of Applied Physics, 118(3), p.033303.&lt;br /&gt;
#Vigonski, S., Djurabekova, F., Veske, M., Aabloo, A. and Zadin, V., 2015. Molecular dynamics simulations of near-surface Fe precipitates in Cu under high electric fields. Modelling and Simulation in Materials Science and Engineering, 23(2), p.025009.&lt;br /&gt;
#Zadin, V., Krasheninnikov, A.V., Djurabekova, F. and Nordlund, K., 2015. Simulations of electromechanical shape transformations of Au nanoparticles. physica status solidi (b), 252(1), pp.144-148.&lt;br /&gt;
#Zadin, V., Pohjonen, A., Aabloo, A., Nordlund, K. and Djurabekova, F., 2014. Electrostatic-elastoplastic simulations of copper surface under high electric fields. Physical Review Special Topics-Accelerators and Beams, 17(10), p.103501.&lt;br /&gt;
#Zadin, V., Brandell, D., Kasemägi, H., Lellep, J. and Aabloo, A., 2013. Designing the 3D-microbattery geometry using the level-set method. Journal of Power Sources, 244, pp.417-428.&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
==Defended theses==&lt;br /&gt;
&lt;br /&gt;
=== Masters Theses ===&lt;br /&gt;
* Kristjan Eimre&lt;br /&gt;
* Kristian Kuppart&lt;br /&gt;
* Robert Aare&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
=== Bachelor's theses ===&lt;br /&gt;
&lt;br /&gt;
* [[Kristjan Eimre - title]]&lt;br /&gt;
* [[Kristian Kuppart - title]]&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;/div&gt;</summary>
		<author><name>Vahur</name></author>
	</entry>
	<entry>
		<id>https://ims.ut.ee/index.php?title=Computational_Materials&amp;diff=21409</id>
		<title>Computational Materials</title>
		<link rel="alternate" type="text/html" href="https://ims.ut.ee/index.php?title=Computational_Materials&amp;diff=21409"/>
		<updated>2019-11-21T11:42:08Z</updated>

		<summary type="html">&lt;p&gt;Vahur: /* Ongoing Activities */&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;== Our vision, goal and what we do ==&lt;br /&gt;
&lt;br /&gt;
[[File:multiscale.png|200px|thumb|right| Simulations heat transfer and mechanical stress of FCC metal in multiscale framework.]]&lt;br /&gt;
&lt;br /&gt;
Computer simulations are some of the most fascinating tools made available due to the development of modern computational technology. Simulations in physics, chemistry, materials science, engineering etc. allow us to obtain detailed information of the phenomena of interest and provide often complete 3D and time dependent information of quantities like electromagnetic fields, temperature, forces and mechanical stresses, deformations. Such information leads to deep insights and understanding of nature around us, opening ways to understand complex physical and chemical processes and to the development of novel technologies and applications.&lt;br /&gt;
&lt;br /&gt;
The simulation activities conducted in the lab involve all levels from atomistic to macroscopic (DFT -&amp;gt; Molecular Dynamics -&amp;gt; Monter Carlo -&amp;gt; Finite Elements), including combinations of these methods i.e. multi scale simulations. The core capacity involves both, computational studies of materials and development of new methodology. &lt;br /&gt;
&lt;br /&gt;
Some examples of applications:&lt;br /&gt;
&lt;br /&gt;
* Mechanics&lt;br /&gt;
* CFD (turbulent &amp;amp; laminar)  &lt;br /&gt;
* Heat transport&lt;br /&gt;
* Electric and magnetic fields&lt;br /&gt;
* Chemical reactions&lt;br /&gt;
* Acoustics&lt;br /&gt;
* Multiphysics combinations of these phenomena!&lt;br /&gt;
&lt;br /&gt;
=== Image gallery ===&lt;br /&gt;
&lt;br /&gt;
&amp;lt;gallery mode=&amp;quot;packed-hover&amp;quot;&amp;gt;&lt;br /&gt;
file:multiscale.png|''Multiscaling with FEM in nano-contact''&lt;br /&gt;
file:strainsfinal_facebook.jpg|&amp;quot;Shear strain field around nanovoid in MD and FEM&amp;quot;&lt;br /&gt;
file:tension2.gif|&amp;quot;Animation of stress and deformation in Cu during tensile testing&amp;quot;&lt;br /&gt;
file:Foam_Graphical_abstract_png.png|&amp;quot;Ionic transport in 3D microbattery.&amp;quot;&lt;br /&gt;
&amp;lt;/gallery&amp;gt;&lt;br /&gt;
&lt;br /&gt;
=== Tools we use ===&lt;br /&gt;
* Comsol Multiphysics  [https://www.comsol.com/]&lt;br /&gt;
* LAMMPS [http://lammps.sandia.gov/]&lt;br /&gt;
* DEAL.II open source finite element library [http://dealii.org/]&lt;br /&gt;
* OpenFOAM CFD [https://www.openfoam.com/]&lt;br /&gt;
* FEMOCS (https://github.com/veskem/femocs)&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
== Research Projects ==&lt;br /&gt;
=== Ongoing Activities ===&lt;br /&gt;
* [[PUT 1372 - Mechanisms of vacuum arching in high electric field systems]]&lt;br /&gt;
* [https://edukad.etag.ee/project/4359 Horizon 2020 ERA Chair MATTER]&lt;br /&gt;
&lt;br /&gt;
=== Ongoing PhD Projects ===&lt;br /&gt;
* [[Computer assisted design and development of tailored nanostructures]]&lt;br /&gt;
* [[Mechanisms of vacuum arching in high electric field systems]]&lt;br /&gt;
* [[Development and optimization of flow electrode capacitor technology]]&lt;br /&gt;
&lt;br /&gt;
=== Glory and Success ===&lt;br /&gt;
* [https://novaator.err.ee/944778/mis-suunas-areneb-nanotehnoloogia Novaator - mis suunas areneb nanotehnoloogia]&lt;br /&gt;
* [http://bonnier2b.ee/trykised/innovatiiv_2017.pdf Arvutisimulatsioonid ja nende rakendused disainis]&lt;br /&gt;
* [https://www.uttv.ee/naita?id=26381 Tartu Ülikooli demopäev - Arvutisimulatsioonid tootearenduses]&lt;br /&gt;
* [[PUT 57 - Multiscale simulations of dislocation generation in rf electric fields in the linear accelerator design (01.01.2013 - 31.12.2016)]]&lt;br /&gt;
* [[ETF 9216 - Development and optimization of 3D-microbatteries (01.01.2012-31.21.2015)]]&lt;br /&gt;
&lt;br /&gt;
=== Student projects  ===&lt;br /&gt;
* [[Materjalidefektide simuleerimine kõrgetes elektriväljades]]&lt;br /&gt;
* [[Järgmise generatsiooni bioreaktorid]]&lt;br /&gt;
* [[Ehitiste konstruktsioonielementide multiskaala mudelite arendamine]]&lt;br /&gt;
* [[Virtuaalreaalsus keskkonnad teaduarvutusteks ja andmeanalüüsiks]]&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
== Members ==&lt;br /&gt;
&lt;br /&gt;
{{Team|&lt;br /&gt;
{{TeamMember|Vahur|Vahur Zadin|senior researcher (finite element modelling, molecular dynamics, high electric fields, CERN))}}&lt;br /&gt;
{{TeamMember|Tarmo|Tarmo Tamm|seniour researcher}}&lt;br /&gt;
{{TeamMember|Heiki|Heiki Kasemägi|senior researcher (ion-conducting polymer, computer simulations) &amp;amp; Computer engineering study programme manager}}&lt;br /&gt;
{{TeamMember|Alvo|Alvo Aabloo| professor, head of the IMS lab}}&lt;br /&gt;
{{TeamMember|Kristiankuppart|Kristian Kuppart|PhD student (MD in high electric fields)}}&lt;br /&gt;
{{TeamMember|Faiza|Faiza Summer|PhD student (Flow-capacitor)}}&lt;br /&gt;
{{TeamMember|Ats.aasmaa|Ats Aasmaa|student (modelling of microbatteries)}}&lt;br /&gt;
{{TeamMember|Mihkel.Veske|Mihkel Veske|in Helsinki University}}&lt;br /&gt;
{{TeamMember|ye.wang|Ye Wang|PhD student (Design and development of tailored nanostructures)}}&lt;br /&gt;
}}&lt;br /&gt;
&lt;br /&gt;
=== Friends and collaborators ===&lt;br /&gt;
&lt;br /&gt;
* Flyura Djurabekova (Helsinki University)&lt;br /&gt;
* Ville Jansson (Helsinki University)&lt;br /&gt;
* Walter Wuench (CERN)&lt;br /&gt;
* Daniel Brandell (Uppsala University)&lt;br /&gt;
* Sergei Vlassov (UT, Institute of Physics)&lt;br /&gt;
&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
==Publications==&lt;br /&gt;
(All references in Harvard style from Google Scholar)&lt;br /&gt;
&lt;br /&gt;
# [[Data sets of migration barriers for atomistic Kinetic Monte Carlo simulations of Cu self-diffusion via first nearest neighbour atomic jumps. Data in Brief, 17, pp.739-743|Baibuz, E., Vigonski, S., Lahtinen, J., Zhao, J., Jansson, V., Zadin, V. and Djurabekova, F., 2018. Data sets of migration barriers for atomistic Kinetic Monte Carlo simulations of Cu self-diffusion via first nearest neighbour atomic jumps. Data in Brief, 17, pp.739-743]]&lt;br /&gt;
# Zadin, V., Veske, M., Vigonski, S., Jansson, V., Muszynski, J., Parviainen, S., Aabloo, A. and Djurabekova, F., 2018. Simulations of surface stress effects in nanoscale single crystals. Modelling and Simulation in Materials Science and Engineering.&lt;br /&gt;
# Metspalu, T., Jansson, V., Zadin, V., Avchaciov, K., Nordlund, K., Aabloo, A. and Djurabekova, F., 2018. Cu self-sputtering MD simulations for 0.1–5 keV ions at elevated temperatures. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 415, pp.31-40.&lt;br /&gt;
# Vigonski, S., Jansson, V., Vlassov, S., Polyakov, B., Baibuz, E., Oras, S., Aabloo, A., Djurabekova, F. and Zadin, V., 2017. Au nanowire junction breakup through surface atom diffusion. Nanotechnology, 29(1), p.015704.&lt;br /&gt;
#Kyritsakis, A., Veske, M., Eimre, K., Zadin, V. and Djurabekova, F., 2017. Thermal runaway and evaporation of metal nano-tips during intense electron emission. arXiv preprint arXiv:1710.00050.&lt;br /&gt;
#Priimägi, P., Kasemägi, H., Aabloo, A., Brandell, D. and Zadin, V., 2017. Thermal Simulations of Polymer Electrolyte 3D Li-Microbatteries. Electrochimica Acta, 244, pp.129-138.&lt;br /&gt;
#Baibuz, E., Vigonski, S., Lahtinen, J., Zhao, J., Jansson, V., Zadin, V. and Djurabekova, F., 2017. Migration barriers for surface diffusion on a rigid lattice: challenges and solutions. arXiv preprint arXiv:1707.05765.&lt;br /&gt;
#Veske, M., Kyritsakis, A., Eimre, K., Zadin, V., Aabloo, A. and Djurabekova, F., 2017. Dynamic coupling of a finite element solver to large-scale atomistic simulations. arXiv preprint arXiv:1706.09661.&lt;br /&gt;
#Yanagisawa, H., Zadin, V., Kunze, K., Hafner, C., Aabloo, A., Kim, D.E., Kling, M.F., Djurabekova, F., Osterwalder, J. and Wuensch, W., 2016. Laser-induced asymmetric faceting and growth of a nano-protrusion on a tungsten tip. APL Photonics, 1(9), p.091305.&lt;br /&gt;
#Mets, M., Antsov, M., Zadin, V., Dorogin, L.M., Aabloo, A., Polyakov, B., Lõhmus, R. and Vlassov, S., 2016. Structural factor in bending testing of fivefold twinned nanowires revealed by finite element analysis. Physica Scripta, 91(11), p.115701.&lt;br /&gt;
#CLIC, T., Boland, M.J., Felzmann, U., Giansiracusa, P.J., Lucas, T.G., Rassool, R.P., Balazs, C., Charles, T.K., Afanaciev, K., Emeliantchik, I. and Ignatenko, A., 2016. Updated baseline for a staged Compact Linear Collider. arXiv preprint arXiv:1608.07537.&lt;br /&gt;
#Priimägi, P., Brandell, D., Srivastav, S., Aabloo, A., Kasemägi, H. and Zadin, V., 2016. Optimizing the design of 3D-pillar microbatteries using finite element modelling. Electrochimica Acta, 209, pp.138-148.&lt;br /&gt;
#Veske, M., Kyritsakis, A., Djurabekova, F., Aare, R., Eimre, K. and Zadin, V., 2016, July. Atomistic modeling of metal surfaces under high electric fields: Direct coupling of electric fields to the atomistic simulations. In Vacuum Nanoelectronics Conference (IVNC), 2016 29th International (pp. 1-2). IEEE.&lt;br /&gt;
#Veske, M., Parviainen, S., Zadin, V., Aabloo, A. and Djurabekova, F., 2016. Electrodynamics—molecular dynamics simulations of the stability of Cu nanotips under high electric field. Journal of Physics D: Applied Physics, 49(21), p.215301.&lt;br /&gt;
#Vigonski, S., Veske, M., Aabloo, A., Djurabekova, F. and Zadin, V., 2015. Verification of a multiscale surface stress model near voids in copper under the load induced by external high electric field. Applied Mathematics and Computation, 267, pp.476-486.&lt;br /&gt;
#Zadin, V., Kasemägi, H., Valdna, V., Vigonski, S., Veske, M. and Aabloo, A., 2015. Application of multiphysics and multiscale simulations to optimize industrial wood drying kilns. Applied Mathematics and Computation, 267, pp.465-475.&lt;br /&gt;
#Eimre, K., Parviainen, S., Aabloo, A., Djurabekova, F. and Zadin, V., 2015. Application of the general thermal field model to simulate the behaviour of nanoscale Cu field emitters. Journal of Applied Physics, 118(3), p.033303.&lt;br /&gt;
#Vigonski, S., Djurabekova, F., Veske, M., Aabloo, A. and Zadin, V., 2015. Molecular dynamics simulations of near-surface Fe precipitates in Cu under high electric fields. Modelling and Simulation in Materials Science and Engineering, 23(2), p.025009.&lt;br /&gt;
#Zadin, V., Krasheninnikov, A.V., Djurabekova, F. and Nordlund, K., 2015. Simulations of electromechanical shape transformations of Au nanoparticles. physica status solidi (b), 252(1), pp.144-148.&lt;br /&gt;
#Zadin, V., Pohjonen, A., Aabloo, A., Nordlund, K. and Djurabekova, F., 2014. Electrostatic-elastoplastic simulations of copper surface under high electric fields. Physical Review Special Topics-Accelerators and Beams, 17(10), p.103501.&lt;br /&gt;
#Zadin, V., Brandell, D., Kasemägi, H., Lellep, J. and Aabloo, A., 2013. Designing the 3D-microbattery geometry using the level-set method. Journal of Power Sources, 244, pp.417-428.&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
==Defended theses==&lt;br /&gt;
&lt;br /&gt;
=== Masters Theses ===&lt;br /&gt;
* Kristjan Eimre&lt;br /&gt;
* Kristian Kuppart&lt;br /&gt;
* Robert Aare&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
=== Bachelor's theses ===&lt;br /&gt;
&lt;br /&gt;
* [[Kristjan Eimre - title]]&lt;br /&gt;
* [[Kristian Kuppart - title]]&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;/div&gt;</summary>
		<author><name>Vahur</name></author>
	</entry>
	<entry>
		<id>https://ims.ut.ee/index.php?title=Computational_Materials&amp;diff=21408</id>
		<title>Computational Materials</title>
		<link rel="alternate" type="text/html" href="https://ims.ut.ee/index.php?title=Computational_Materials&amp;diff=21408"/>
		<updated>2019-11-21T11:39:23Z</updated>

		<summary type="html">&lt;p&gt;Vahur: /* Student projects */&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;== Our vision, goal and what we do ==&lt;br /&gt;
&lt;br /&gt;
[[File:multiscale.png|200px|thumb|right| Simulations heat transfer and mechanical stress of FCC metal in multiscale framework.]]&lt;br /&gt;
&lt;br /&gt;
Computer simulations are some of the most fascinating tools made available due to the development of modern computational technology. Simulations in physics, chemistry, materials science, engineering etc. allow us to obtain detailed information of the phenomena of interest and provide often complete 3D and time dependent information of quantities like electromagnetic fields, temperature, forces and mechanical stresses, deformations. Such information leads to deep insights and understanding of nature around us, opening ways to understand complex physical and chemical processes and to the development of novel technologies and applications.&lt;br /&gt;
&lt;br /&gt;
The simulation activities conducted in the lab involve all levels from atomistic to macroscopic (DFT -&amp;gt; Molecular Dynamics -&amp;gt; Monter Carlo -&amp;gt; Finite Elements), including combinations of these methods i.e. multi scale simulations. The core capacity involves both, computational studies of materials and development of new methodology. &lt;br /&gt;
&lt;br /&gt;
Some examples of applications:&lt;br /&gt;
&lt;br /&gt;
* Mechanics&lt;br /&gt;
* CFD (turbulent &amp;amp; laminar)  &lt;br /&gt;
* Heat transport&lt;br /&gt;
* Electric and magnetic fields&lt;br /&gt;
* Chemical reactions&lt;br /&gt;
* Acoustics&lt;br /&gt;
* Multiphysics combinations of these phenomena!&lt;br /&gt;
&lt;br /&gt;
=== Image gallery ===&lt;br /&gt;
&lt;br /&gt;
&amp;lt;gallery mode=&amp;quot;packed-hover&amp;quot;&amp;gt;&lt;br /&gt;
file:multiscale.png|''Multiscaling with FEM in nano-contact''&lt;br /&gt;
file:strainsfinal_facebook.jpg|&amp;quot;Shear strain field around nanovoid in MD and FEM&amp;quot;&lt;br /&gt;
file:tension2.gif|&amp;quot;Animation of stress and deformation in Cu during tensile testing&amp;quot;&lt;br /&gt;
file:Foam_Graphical_abstract_png.png|&amp;quot;Ionic transport in 3D microbattery.&amp;quot;&lt;br /&gt;
&amp;lt;/gallery&amp;gt;&lt;br /&gt;
&lt;br /&gt;
=== Tools we use ===&lt;br /&gt;
* Comsol Multiphysics  [https://www.comsol.com/]&lt;br /&gt;
* LAMMPS [http://lammps.sandia.gov/]&lt;br /&gt;
* DEAL.II open source finite element library [http://dealii.org/]&lt;br /&gt;
* OpenFOAM CFD [https://www.openfoam.com/]&lt;br /&gt;
* FEMOCS (https://github.com/veskem/femocs)&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
== Research Projects ==&lt;br /&gt;
=== Ongoing Activities ===&lt;br /&gt;
* [[PUT 1372 - Mechanisms of vacuum arching in high electric field systems]]&lt;br /&gt;
&lt;br /&gt;
=== Ongoing PhD Projects ===&lt;br /&gt;
* [[Computer assisted design and development of tailored nanostructures]]&lt;br /&gt;
* [[Mechanisms of vacuum arching in high electric field systems]]&lt;br /&gt;
* [[Development and optimization of flow electrode capacitor technology]]&lt;br /&gt;
&lt;br /&gt;
=== Glory and Success ===&lt;br /&gt;
* [https://novaator.err.ee/944778/mis-suunas-areneb-nanotehnoloogia Novaator - mis suunas areneb nanotehnoloogia]&lt;br /&gt;
* [http://bonnier2b.ee/trykised/innovatiiv_2017.pdf Arvutisimulatsioonid ja nende rakendused disainis]&lt;br /&gt;
* [https://www.uttv.ee/naita?id=26381 Tartu Ülikooli demopäev - Arvutisimulatsioonid tootearenduses]&lt;br /&gt;
* [[PUT 57 - Multiscale simulations of dislocation generation in rf electric fields in the linear accelerator design (01.01.2013 - 31.12.2016)]]&lt;br /&gt;
* [[ETF 9216 - Development and optimization of 3D-microbatteries (01.01.2012-31.21.2015)]]&lt;br /&gt;
&lt;br /&gt;
=== Student projects  ===&lt;br /&gt;
* [[Materjalidefektide simuleerimine kõrgetes elektriväljades]]&lt;br /&gt;
* [[Järgmise generatsiooni bioreaktorid]]&lt;br /&gt;
* [[Ehitiste konstruktsioonielementide multiskaala mudelite arendamine]]&lt;br /&gt;
* [[Virtuaalreaalsus keskkonnad teaduarvutusteks ja andmeanalüüsiks]]&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
== Members ==&lt;br /&gt;
&lt;br /&gt;
{{Team|&lt;br /&gt;
{{TeamMember|Vahur|Vahur Zadin|senior researcher (finite element modelling, molecular dynamics, high electric fields, CERN))}}&lt;br /&gt;
{{TeamMember|Tarmo|Tarmo Tamm|seniour researcher}}&lt;br /&gt;
{{TeamMember|Heiki|Heiki Kasemägi|senior researcher (ion-conducting polymer, computer simulations) &amp;amp; Computer engineering study programme manager}}&lt;br /&gt;
{{TeamMember|Alvo|Alvo Aabloo| professor, head of the IMS lab}}&lt;br /&gt;
{{TeamMember|Kristiankuppart|Kristian Kuppart|PhD student (MD in high electric fields)}}&lt;br /&gt;
{{TeamMember|Faiza|Faiza Summer|PhD student (Flow-capacitor)}}&lt;br /&gt;
{{TeamMember|Ats.aasmaa|Ats Aasmaa|student (modelling of microbatteries)}}&lt;br /&gt;
{{TeamMember|Mihkel.Veske|Mihkel Veske|in Helsinki University}}&lt;br /&gt;
{{TeamMember|ye.wang|Ye Wang|PhD student (Design and development of tailored nanostructures)}}&lt;br /&gt;
}}&lt;br /&gt;
&lt;br /&gt;
=== Friends and collaborators ===&lt;br /&gt;
&lt;br /&gt;
* Flyura Djurabekova (Helsinki University)&lt;br /&gt;
* Ville Jansson (Helsinki University)&lt;br /&gt;
* Walter Wuench (CERN)&lt;br /&gt;
* Daniel Brandell (Uppsala University)&lt;br /&gt;
* Sergei Vlassov (UT, Institute of Physics)&lt;br /&gt;
&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
==Publications==&lt;br /&gt;
(All references in Harvard style from Google Scholar)&lt;br /&gt;
&lt;br /&gt;
# [[Data sets of migration barriers for atomistic Kinetic Monte Carlo simulations of Cu self-diffusion via first nearest neighbour atomic jumps. Data in Brief, 17, pp.739-743|Baibuz, E., Vigonski, S., Lahtinen, J., Zhao, J., Jansson, V., Zadin, V. and Djurabekova, F., 2018. Data sets of migration barriers for atomistic Kinetic Monte Carlo simulations of Cu self-diffusion via first nearest neighbour atomic jumps. Data in Brief, 17, pp.739-743]]&lt;br /&gt;
# Zadin, V., Veske, M., Vigonski, S., Jansson, V., Muszynski, J., Parviainen, S., Aabloo, A. and Djurabekova, F., 2018. Simulations of surface stress effects in nanoscale single crystals. Modelling and Simulation in Materials Science and Engineering.&lt;br /&gt;
# Metspalu, T., Jansson, V., Zadin, V., Avchaciov, K., Nordlund, K., Aabloo, A. and Djurabekova, F., 2018. Cu self-sputtering MD simulations for 0.1–5 keV ions at elevated temperatures. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 415, pp.31-40.&lt;br /&gt;
# Vigonski, S., Jansson, V., Vlassov, S., Polyakov, B., Baibuz, E., Oras, S., Aabloo, A., Djurabekova, F. and Zadin, V., 2017. Au nanowire junction breakup through surface atom diffusion. Nanotechnology, 29(1), p.015704.&lt;br /&gt;
#Kyritsakis, A., Veske, M., Eimre, K., Zadin, V. and Djurabekova, F., 2017. Thermal runaway and evaporation of metal nano-tips during intense electron emission. arXiv preprint arXiv:1710.00050.&lt;br /&gt;
#Priimägi, P., Kasemägi, H., Aabloo, A., Brandell, D. and Zadin, V., 2017. Thermal Simulations of Polymer Electrolyte 3D Li-Microbatteries. Electrochimica Acta, 244, pp.129-138.&lt;br /&gt;
#Baibuz, E., Vigonski, S., Lahtinen, J., Zhao, J., Jansson, V., Zadin, V. and Djurabekova, F., 2017. Migration barriers for surface diffusion on a rigid lattice: challenges and solutions. arXiv preprint arXiv:1707.05765.&lt;br /&gt;
#Veske, M., Kyritsakis, A., Eimre, K., Zadin, V., Aabloo, A. and Djurabekova, F., 2017. Dynamic coupling of a finite element solver to large-scale atomistic simulations. arXiv preprint arXiv:1706.09661.&lt;br /&gt;
#Yanagisawa, H., Zadin, V., Kunze, K., Hafner, C., Aabloo, A., Kim, D.E., Kling, M.F., Djurabekova, F., Osterwalder, J. and Wuensch, W., 2016. Laser-induced asymmetric faceting and growth of a nano-protrusion on a tungsten tip. APL Photonics, 1(9), p.091305.&lt;br /&gt;
#Mets, M., Antsov, M., Zadin, V., Dorogin, L.M., Aabloo, A., Polyakov, B., Lõhmus, R. and Vlassov, S., 2016. Structural factor in bending testing of fivefold twinned nanowires revealed by finite element analysis. Physica Scripta, 91(11), p.115701.&lt;br /&gt;
#CLIC, T., Boland, M.J., Felzmann, U., Giansiracusa, P.J., Lucas, T.G., Rassool, R.P., Balazs, C., Charles, T.K., Afanaciev, K., Emeliantchik, I. and Ignatenko, A., 2016. Updated baseline for a staged Compact Linear Collider. arXiv preprint arXiv:1608.07537.&lt;br /&gt;
#Priimägi, P., Brandell, D., Srivastav, S., Aabloo, A., Kasemägi, H. and Zadin, V., 2016. Optimizing the design of 3D-pillar microbatteries using finite element modelling. Electrochimica Acta, 209, pp.138-148.&lt;br /&gt;
#Veske, M., Kyritsakis, A., Djurabekova, F., Aare, R., Eimre, K. and Zadin, V., 2016, July. Atomistic modeling of metal surfaces under high electric fields: Direct coupling of electric fields to the atomistic simulations. In Vacuum Nanoelectronics Conference (IVNC), 2016 29th International (pp. 1-2). IEEE.&lt;br /&gt;
#Veske, M., Parviainen, S., Zadin, V., Aabloo, A. and Djurabekova, F., 2016. Electrodynamics—molecular dynamics simulations of the stability of Cu nanotips under high electric field. Journal of Physics D: Applied Physics, 49(21), p.215301.&lt;br /&gt;
#Vigonski, S., Veske, M., Aabloo, A., Djurabekova, F. and Zadin, V., 2015. Verification of a multiscale surface stress model near voids in copper under the load induced by external high electric field. Applied Mathematics and Computation, 267, pp.476-486.&lt;br /&gt;
#Zadin, V., Kasemägi, H., Valdna, V., Vigonski, S., Veske, M. and Aabloo, A., 2015. Application of multiphysics and multiscale simulations to optimize industrial wood drying kilns. Applied Mathematics and Computation, 267, pp.465-475.&lt;br /&gt;
#Eimre, K., Parviainen, S., Aabloo, A., Djurabekova, F. and Zadin, V., 2015. Application of the general thermal field model to simulate the behaviour of nanoscale Cu field emitters. Journal of Applied Physics, 118(3), p.033303.&lt;br /&gt;
#Vigonski, S., Djurabekova, F., Veske, M., Aabloo, A. and Zadin, V., 2015. Molecular dynamics simulations of near-surface Fe precipitates in Cu under high electric fields. Modelling and Simulation in Materials Science and Engineering, 23(2), p.025009.&lt;br /&gt;
#Zadin, V., Krasheninnikov, A.V., Djurabekova, F. and Nordlund, K., 2015. Simulations of electromechanical shape transformations of Au nanoparticles. physica status solidi (b), 252(1), pp.144-148.&lt;br /&gt;
#Zadin, V., Pohjonen, A., Aabloo, A., Nordlund, K. and Djurabekova, F., 2014. Electrostatic-elastoplastic simulations of copper surface under high electric fields. Physical Review Special Topics-Accelerators and Beams, 17(10), p.103501.&lt;br /&gt;
#Zadin, V., Brandell, D., Kasemägi, H., Lellep, J. and Aabloo, A., 2013. Designing the 3D-microbattery geometry using the level-set method. Journal of Power Sources, 244, pp.417-428.&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
==Defended theses==&lt;br /&gt;
&lt;br /&gt;
=== Masters Theses ===&lt;br /&gt;
* Kristjan Eimre&lt;br /&gt;
* Kristian Kuppart&lt;br /&gt;
* Robert Aare&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
=== Bachelor's theses ===&lt;br /&gt;
&lt;br /&gt;
* [[Kristjan Eimre - title]]&lt;br /&gt;
* [[Kristian Kuppart - title]]&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;/div&gt;</summary>
		<author><name>Vahur</name></author>
	</entry>
	<entry>
		<id>https://ims.ut.ee/index.php?title=Computer_assisted_design_and_development_of_tailored_nanostructures&amp;diff=21407</id>
		<title>Computer assisted design and development of tailored nanostructures</title>
		<link rel="alternate" type="text/html" href="https://ims.ut.ee/index.php?title=Computer_assisted_design_and_development_of_tailored_nanostructures&amp;diff=21407"/>
		<updated>2019-11-21T11:38:21Z</updated>

		<summary type="html">&lt;p&gt;Vahur: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;The aim is to create framework for computer assisted design and study of nano- and microscale materials under extreme heterogeneous external conditions. We will use multiscale (ab initio, molecular dynamics, finite element analyses) computer aided design with bilateral verification from high resolution SEM data. Thus, it becomes possible to design materials at micro and nanoscale, to improve their properties and reach scientific and technological breakthroughs in problems such as electrical breakdowns in CLIC accelerator in CERN or different novel nanofabrication technologies.&lt;br /&gt;
&lt;br /&gt;
PhD student: {{TeamMember|ye.wang|Ye Wang}}&lt;br /&gt;
&lt;br /&gt;
[[Secure: Project]]&lt;/div&gt;</summary>
		<author><name>Vahur</name></author>
	</entry>
	<entry>
		<id>https://ims.ut.ee/index.php?title=Development_and_optimization_of_flow_electrode_capacitor_technology&amp;diff=21406</id>
		<title>Development and optimization of flow electrode capacitor technology</title>
		<link rel="alternate" type="text/html" href="https://ims.ut.ee/index.php?title=Development_and_optimization_of_flow_electrode_capacitor_technology&amp;diff=21406"/>
		<updated>2019-11-21T11:29:52Z</updated>

		<summary type="html">&lt;p&gt;Vahur: Created page with &amp;quot;Flowable slurry electrodes have recently received an increased interest for use in electrochemical energy storage and water treatment systems. Within this project we develop a...&amp;quot;&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;Flowable slurry electrodes have recently received an increased interest for use in electrochemical energy storage and water treatment systems. Within this project we develop a model for efficient charging of flowable mixtures in circulating flow capacitor for large scale applications. The flow-capacitor (FC) is a novel all-liquid capacitor which working principle is based on the separation of ions from a fluid electrolyte by a low-voltage electric field. Such capacitor can be used in equipment where fluid flow or motion of liquid is essential for its operation. Target applications are hydraulic equipment (fork lifts, cranes, also geothermal heat pumps etc.). For breakthrough performance an improvement in self-discharge rate and optimisation in flow-process and in membrane architecture is needed. Thus, computer simulations, capable of accurate description of electrochemistry in the cell are needed. The finite element method (FEM) based simulations, combining the charge and mass transport, coupled to the charging of electrical double layer of carbon particles in liquid electrode slurry are used to conduct initial simulations of the FC cell. Such simulations assume that the convective movement of liquid electrolyte is negligible and will allow to characterize the basic properties of the system, such as the effect of cell geometry, material properties. Simulations allow to test combinations of electrolyte and membrane materials to pinpoint the most suitable ones and minimize the effects of self-discharge. The results of the simulations are coupled to the experimental studies by testing the proposed materials. Moreover, FEM simulations provide significant advantage of designing the FC geometry. Current FC applications rely on the use of millimetre scale equipment. Performance of such device is limited, since the utilization of liquid electrode material takes place only near the current collectors in diffusive layer. This effect can be countered, when convective mass transport in the FC electrodes is implemented and capacity to conduct the complete optimization of the device is reached. Application of mass and charge transport equations, coupled with convective flow simulations makes it possible to find suitable geometries and conduct optimization with maximum mixing of liquid electrolyte as final goal. By applying such approach, optimal utilization of the material is reached, leading to maximum charging/discharging rates optimal flow process of the electrode slurry.&lt;/div&gt;</summary>
		<author><name>Vahur</name></author>
	</entry>
	<entry>
		<id>https://ims.ut.ee/index.php?title=Computational_Materials&amp;diff=21405</id>
		<title>Computational Materials</title>
		<link rel="alternate" type="text/html" href="https://ims.ut.ee/index.php?title=Computational_Materials&amp;diff=21405"/>
		<updated>2019-11-21T11:29:19Z</updated>

		<summary type="html">&lt;p&gt;Vahur: /* Ongoing PhD Projects */&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;== Our vision, goal and what we do ==&lt;br /&gt;
&lt;br /&gt;
[[File:multiscale.png|200px|thumb|right| Simulations heat transfer and mechanical stress of FCC metal in multiscale framework.]]&lt;br /&gt;
&lt;br /&gt;
Computer simulations are some of the most fascinating tools made available due to the development of modern computational technology. Simulations in physics, chemistry, materials science, engineering etc. allow us to obtain detailed information of the phenomena of interest and provide often complete 3D and time dependent information of quantities like electromagnetic fields, temperature, forces and mechanical stresses, deformations. Such information leads to deep insights and understanding of nature around us, opening ways to understand complex physical and chemical processes and to the development of novel technologies and applications.&lt;br /&gt;
&lt;br /&gt;
The simulation activities conducted in the lab involve all levels from atomistic to macroscopic (DFT -&amp;gt; Molecular Dynamics -&amp;gt; Monter Carlo -&amp;gt; Finite Elements), including combinations of these methods i.e. multi scale simulations. The core capacity involves both, computational studies of materials and development of new methodology. &lt;br /&gt;
&lt;br /&gt;
Some examples of applications:&lt;br /&gt;
&lt;br /&gt;
* Mechanics&lt;br /&gt;
* CFD (turbulent &amp;amp; laminar)  &lt;br /&gt;
* Heat transport&lt;br /&gt;
* Electric and magnetic fields&lt;br /&gt;
* Chemical reactions&lt;br /&gt;
* Acoustics&lt;br /&gt;
* Multiphysics combinations of these phenomena!&lt;br /&gt;
&lt;br /&gt;
=== Image gallery ===&lt;br /&gt;
&lt;br /&gt;
&amp;lt;gallery mode=&amp;quot;packed-hover&amp;quot;&amp;gt;&lt;br /&gt;
file:multiscale.png|''Multiscaling with FEM in nano-contact''&lt;br /&gt;
file:strainsfinal_facebook.jpg|&amp;quot;Shear strain field around nanovoid in MD and FEM&amp;quot;&lt;br /&gt;
file:tension2.gif|&amp;quot;Animation of stress and deformation in Cu during tensile testing&amp;quot;&lt;br /&gt;
file:Foam_Graphical_abstract_png.png|&amp;quot;Ionic transport in 3D microbattery.&amp;quot;&lt;br /&gt;
&amp;lt;/gallery&amp;gt;&lt;br /&gt;
&lt;br /&gt;
=== Tools we use ===&lt;br /&gt;
* Comsol Multiphysics  [https://www.comsol.com/]&lt;br /&gt;
* LAMMPS [http://lammps.sandia.gov/]&lt;br /&gt;
* DEAL.II open source finite element library [http://dealii.org/]&lt;br /&gt;
* OpenFOAM CFD [https://www.openfoam.com/]&lt;br /&gt;
* FEMOCS (https://github.com/veskem/femocs)&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
== Research Projects ==&lt;br /&gt;
=== Ongoing Activities ===&lt;br /&gt;
* [[PUT 1372 - Mechanisms of vacuum arching in high electric field systems]]&lt;br /&gt;
&lt;br /&gt;
=== Ongoing PhD Projects ===&lt;br /&gt;
* [[Computer assisted design and development of tailored nanostructures]]&lt;br /&gt;
* [[Mechanisms of vacuum arching in high electric field systems]]&lt;br /&gt;
* [[Development and optimization of flow electrode capacitor technology]]&lt;br /&gt;
&lt;br /&gt;
=== Glory and Success ===&lt;br /&gt;
* [https://novaator.err.ee/944778/mis-suunas-areneb-nanotehnoloogia Novaator - mis suunas areneb nanotehnoloogia]&lt;br /&gt;
* [http://bonnier2b.ee/trykised/innovatiiv_2017.pdf Arvutisimulatsioonid ja nende rakendused disainis]&lt;br /&gt;
* [https://www.uttv.ee/naita?id=26381 Tartu Ülikooli demopäev - Arvutisimulatsioonid tootearenduses]&lt;br /&gt;
* [[PUT 57 - Multiscale simulations of dislocation generation in rf electric fields in the linear accelerator design (01.01.2013 - 31.12.2016)]]&lt;br /&gt;
* [[ETF 9216 - Development and optimization of 3D-microbatteries (01.01.2012-31.21.2015)]]&lt;br /&gt;
&lt;br /&gt;
=== Student projects  ===&lt;br /&gt;
* [[Materjalidefektide simuleerimine kõrgetes elektriväljades]]&lt;br /&gt;
* [[Järgmise generatsiooni bioreaktorid]]&lt;br /&gt;
* [[Ehitiste konstruktsioonielementide multiskaala mudelite arendamine]]&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
== Members ==&lt;br /&gt;
&lt;br /&gt;
{{Team|&lt;br /&gt;
{{TeamMember|Vahur|Vahur Zadin|senior researcher (finite element modelling, molecular dynamics, high electric fields, CERN))}}&lt;br /&gt;
{{TeamMember|Tarmo|Tarmo Tamm|seniour researcher}}&lt;br /&gt;
{{TeamMember|Heiki|Heiki Kasemägi|senior researcher (ion-conducting polymer, computer simulations) &amp;amp; Computer engineering study programme manager}}&lt;br /&gt;
{{TeamMember|Alvo|Alvo Aabloo| professor, head of the IMS lab}}&lt;br /&gt;
{{TeamMember|Kristiankuppart|Kristian Kuppart|PhD student (MD in high electric fields)}}&lt;br /&gt;
{{TeamMember|Faiza|Faiza Summer|PhD student (Flow-capacitor)}}&lt;br /&gt;
{{TeamMember|Ats.aasmaa|Ats Aasmaa|student (modelling of microbatteries)}}&lt;br /&gt;
{{TeamMember|Mihkel.Veske|Mihkel Veske|in Helsinki University}}&lt;br /&gt;
{{TeamMember|ye.wang|Ye Wang|PhD student (Design and development of tailored nanostructures)}}&lt;br /&gt;
}}&lt;br /&gt;
&lt;br /&gt;
=== Friends and collaborators ===&lt;br /&gt;
&lt;br /&gt;
* Flyura Djurabekova (Helsinki University)&lt;br /&gt;
* Ville Jansson (Helsinki University)&lt;br /&gt;
* Walter Wuench (CERN)&lt;br /&gt;
* Daniel Brandell (Uppsala University)&lt;br /&gt;
* Sergei Vlassov (UT, Institute of Physics)&lt;br /&gt;
&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
==Publications==&lt;br /&gt;
(All references in Harvard style from Google Scholar)&lt;br /&gt;
&lt;br /&gt;
# [[Data sets of migration barriers for atomistic Kinetic Monte Carlo simulations of Cu self-diffusion via first nearest neighbour atomic jumps. Data in Brief, 17, pp.739-743|Baibuz, E., Vigonski, S., Lahtinen, J., Zhao, J., Jansson, V., Zadin, V. and Djurabekova, F., 2018. Data sets of migration barriers for atomistic Kinetic Monte Carlo simulations of Cu self-diffusion via first nearest neighbour atomic jumps. Data in Brief, 17, pp.739-743]]&lt;br /&gt;
# Zadin, V., Veske, M., Vigonski, S., Jansson, V., Muszynski, J., Parviainen, S., Aabloo, A. and Djurabekova, F., 2018. Simulations of surface stress effects in nanoscale single crystals. Modelling and Simulation in Materials Science and Engineering.&lt;br /&gt;
# Metspalu, T., Jansson, V., Zadin, V., Avchaciov, K., Nordlund, K., Aabloo, A. and Djurabekova, F., 2018. Cu self-sputtering MD simulations for 0.1–5 keV ions at elevated temperatures. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 415, pp.31-40.&lt;br /&gt;
# Vigonski, S., Jansson, V., Vlassov, S., Polyakov, B., Baibuz, E., Oras, S., Aabloo, A., Djurabekova, F. and Zadin, V., 2017. Au nanowire junction breakup through surface atom diffusion. Nanotechnology, 29(1), p.015704.&lt;br /&gt;
#Kyritsakis, A., Veske, M., Eimre, K., Zadin, V. and Djurabekova, F., 2017. Thermal runaway and evaporation of metal nano-tips during intense electron emission. arXiv preprint arXiv:1710.00050.&lt;br /&gt;
#Priimägi, P., Kasemägi, H., Aabloo, A., Brandell, D. and Zadin, V., 2017. Thermal Simulations of Polymer Electrolyte 3D Li-Microbatteries. Electrochimica Acta, 244, pp.129-138.&lt;br /&gt;
#Baibuz, E., Vigonski, S., Lahtinen, J., Zhao, J., Jansson, V., Zadin, V. and Djurabekova, F., 2017. Migration barriers for surface diffusion on a rigid lattice: challenges and solutions. arXiv preprint arXiv:1707.05765.&lt;br /&gt;
#Veske, M., Kyritsakis, A., Eimre, K., Zadin, V., Aabloo, A. and Djurabekova, F., 2017. Dynamic coupling of a finite element solver to large-scale atomistic simulations. arXiv preprint arXiv:1706.09661.&lt;br /&gt;
#Yanagisawa, H., Zadin, V., Kunze, K., Hafner, C., Aabloo, A., Kim, D.E., Kling, M.F., Djurabekova, F., Osterwalder, J. and Wuensch, W., 2016. Laser-induced asymmetric faceting and growth of a nano-protrusion on a tungsten tip. APL Photonics, 1(9), p.091305.&lt;br /&gt;
#Mets, M., Antsov, M., Zadin, V., Dorogin, L.M., Aabloo, A., Polyakov, B., Lõhmus, R. and Vlassov, S., 2016. Structural factor in bending testing of fivefold twinned nanowires revealed by finite element analysis. Physica Scripta, 91(11), p.115701.&lt;br /&gt;
#CLIC, T., Boland, M.J., Felzmann, U., Giansiracusa, P.J., Lucas, T.G., Rassool, R.P., Balazs, C., Charles, T.K., Afanaciev, K., Emeliantchik, I. and Ignatenko, A., 2016. Updated baseline for a staged Compact Linear Collider. arXiv preprint arXiv:1608.07537.&lt;br /&gt;
#Priimägi, P., Brandell, D., Srivastav, S., Aabloo, A., Kasemägi, H. and Zadin, V., 2016. Optimizing the design of 3D-pillar microbatteries using finite element modelling. Electrochimica Acta, 209, pp.138-148.&lt;br /&gt;
#Veske, M., Kyritsakis, A., Djurabekova, F., Aare, R., Eimre, K. and Zadin, V., 2016, July. Atomistic modeling of metal surfaces under high electric fields: Direct coupling of electric fields to the atomistic simulations. In Vacuum Nanoelectronics Conference (IVNC), 2016 29th International (pp. 1-2). IEEE.&lt;br /&gt;
#Veske, M., Parviainen, S., Zadin, V., Aabloo, A. and Djurabekova, F., 2016. Electrodynamics—molecular dynamics simulations of the stability of Cu nanotips under high electric field. Journal of Physics D: Applied Physics, 49(21), p.215301.&lt;br /&gt;
#Vigonski, S., Veske, M., Aabloo, A., Djurabekova, F. and Zadin, V., 2015. Verification of a multiscale surface stress model near voids in copper under the load induced by external high electric field. Applied Mathematics and Computation, 267, pp.476-486.&lt;br /&gt;
#Zadin, V., Kasemägi, H., Valdna, V., Vigonski, S., Veske, M. and Aabloo, A., 2015. Application of multiphysics and multiscale simulations to optimize industrial wood drying kilns. Applied Mathematics and Computation, 267, pp.465-475.&lt;br /&gt;
#Eimre, K., Parviainen, S., Aabloo, A., Djurabekova, F. and Zadin, V., 2015. Application of the general thermal field model to simulate the behaviour of nanoscale Cu field emitters. Journal of Applied Physics, 118(3), p.033303.&lt;br /&gt;
#Vigonski, S., Djurabekova, F., Veske, M., Aabloo, A. and Zadin, V., 2015. Molecular dynamics simulations of near-surface Fe precipitates in Cu under high electric fields. Modelling and Simulation in Materials Science and Engineering, 23(2), p.025009.&lt;br /&gt;
#Zadin, V., Krasheninnikov, A.V., Djurabekova, F. and Nordlund, K., 2015. Simulations of electromechanical shape transformations of Au nanoparticles. physica status solidi (b), 252(1), pp.144-148.&lt;br /&gt;
#Zadin, V., Pohjonen, A., Aabloo, A., Nordlund, K. and Djurabekova, F., 2014. Electrostatic-elastoplastic simulations of copper surface under high electric fields. Physical Review Special Topics-Accelerators and Beams, 17(10), p.103501.&lt;br /&gt;
#Zadin, V., Brandell, D., Kasemägi, H., Lellep, J. and Aabloo, A., 2013. Designing the 3D-microbattery geometry using the level-set method. Journal of Power Sources, 244, pp.417-428.&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
==Defended theses==&lt;br /&gt;
&lt;br /&gt;
=== Masters Theses ===&lt;br /&gt;
* Kristjan Eimre&lt;br /&gt;
* Kristian Kuppart&lt;br /&gt;
* Robert Aare&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
=== Bachelor's theses ===&lt;br /&gt;
&lt;br /&gt;
* [[Kristjan Eimre - title]]&lt;br /&gt;
* [[Kristian Kuppart - title]]&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;/div&gt;</summary>
		<author><name>Vahur</name></author>
	</entry>
	<entry>
		<id>https://ims.ut.ee/index.php?title=Mechanisms_of_vacuum_arching_in_high_electric_field_systems&amp;diff=21404</id>
		<title>Mechanisms of vacuum arching in high electric field systems</title>
		<link rel="alternate" type="text/html" href="https://ims.ut.ee/index.php?title=Mechanisms_of_vacuum_arching_in_high_electric_field_systems&amp;diff=21404"/>
		<updated>2019-11-21T11:27:50Z</updated>

		<summary type="html">&lt;p&gt;Vahur: Created page with &amp;quot;CERN has started a new compact electron-positron linear collider CLIC project with the aim of precise measurements of the properties of Higgs boson and to collect new data abo...&amp;quot;&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;CERN has started a new compact electron-positron linear collider CLIC project with the aim of precise measurements of the properties of Higgs boson and to collect new data about fundamental physics topics like supersymmetry, Higgs strong interactions, contact interactions and extra dimensions.  The collision energies in CLIC are in range of 0.5-5 TeV, reach by extreme electric fields (in range of  100 MV/m). However, such field values often lead to the electric breakdowns of the system. Controlling the breakdown rate and keeping it under critical level is one of the key issues to ensure successful operation of CLIC.&lt;br /&gt;
&lt;br /&gt;
The electrical breakdown (BD) signifies vacuum arc discharges in accelerating structures. The BD’s taking place under stable operating conditions (not due to surface contamination), can be limited with “conditioning” techniques.  The conditioning takes several hundreds of hours, making it inconvenient for large scale production. Instead, materials science based optimized solution, explaining the breakdown mechanisms and causes is needed. &lt;br /&gt;
&lt;br /&gt;
Theories explaining the breakdowns link them to emission currents and spontaneously appearing nanoscale field emitters. However, mechanism responsible of the appearance of such emitters, is not yet understood. The field emission currents are commonly described by Fowler-Nordheim type equations, from where the local electric field enhancement factor β is estimated. Common explanation for the β is the surface roughness, protrusions or other irregularities, with the geometrical aspect ratio in the same order of magnitude as field enhancement. Since the theoretical field strength needed to initiate a vacuum arc in case of copper is in the order of 10 to 11 GV/m, it’s commonly assumed that high aspect ratio field emitters are always present before the breakdown.  &lt;br /&gt;
&lt;br /&gt;
The aim of the current work is to understand the mechanisms leading to vacuum arching in high electric field systems. Most important gain is fundamental understanding of processes initiating the vacuum arching, leading to the development of new technologies utilizing high electric fields such as new generation particle accelerators, novel nanofabrication applications, free electron lasers, medical linear accelerators for hadron therapy or design of better RF components for satellite microwave devices.&lt;/div&gt;</summary>
		<author><name>Vahur</name></author>
	</entry>
	<entry>
		<id>https://ims.ut.ee/index.php?title=Computational_Materials&amp;diff=21403</id>
		<title>Computational Materials</title>
		<link rel="alternate" type="text/html" href="https://ims.ut.ee/index.php?title=Computational_Materials&amp;diff=21403"/>
		<updated>2019-11-21T11:27:07Z</updated>

		<summary type="html">&lt;p&gt;Vahur: /* Ongoing PhD Projects */&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;== Our vision, goal and what we do ==&lt;br /&gt;
&lt;br /&gt;
[[File:multiscale.png|200px|thumb|right| Simulations heat transfer and mechanical stress of FCC metal in multiscale framework.]]&lt;br /&gt;
&lt;br /&gt;
Computer simulations are some of the most fascinating tools made available due to the development of modern computational technology. Simulations in physics, chemistry, materials science, engineering etc. allow us to obtain detailed information of the phenomena of interest and provide often complete 3D and time dependent information of quantities like electromagnetic fields, temperature, forces and mechanical stresses, deformations. Such information leads to deep insights and understanding of nature around us, opening ways to understand complex physical and chemical processes and to the development of novel technologies and applications.&lt;br /&gt;
&lt;br /&gt;
The simulation activities conducted in the lab involve all levels from atomistic to macroscopic (DFT -&amp;gt; Molecular Dynamics -&amp;gt; Monter Carlo -&amp;gt; Finite Elements), including combinations of these methods i.e. multi scale simulations. The core capacity involves both, computational studies of materials and development of new methodology. &lt;br /&gt;
&lt;br /&gt;
Some examples of applications:&lt;br /&gt;
&lt;br /&gt;
* Mechanics&lt;br /&gt;
* CFD (turbulent &amp;amp; laminar)  &lt;br /&gt;
* Heat transport&lt;br /&gt;
* Electric and magnetic fields&lt;br /&gt;
* Chemical reactions&lt;br /&gt;
* Acoustics&lt;br /&gt;
* Multiphysics combinations of these phenomena!&lt;br /&gt;
&lt;br /&gt;
=== Image gallery ===&lt;br /&gt;
&lt;br /&gt;
&amp;lt;gallery mode=&amp;quot;packed-hover&amp;quot;&amp;gt;&lt;br /&gt;
file:multiscale.png|''Multiscaling with FEM in nano-contact''&lt;br /&gt;
file:strainsfinal_facebook.jpg|&amp;quot;Shear strain field around nanovoid in MD and FEM&amp;quot;&lt;br /&gt;
file:tension2.gif|&amp;quot;Animation of stress and deformation in Cu during tensile testing&amp;quot;&lt;br /&gt;
file:Foam_Graphical_abstract_png.png|&amp;quot;Ionic transport in 3D microbattery.&amp;quot;&lt;br /&gt;
&amp;lt;/gallery&amp;gt;&lt;br /&gt;
&lt;br /&gt;
=== Tools we use ===&lt;br /&gt;
* Comsol Multiphysics  [https://www.comsol.com/]&lt;br /&gt;
* LAMMPS [http://lammps.sandia.gov/]&lt;br /&gt;
* DEAL.II open source finite element library [http://dealii.org/]&lt;br /&gt;
* OpenFOAM CFD [https://www.openfoam.com/]&lt;br /&gt;
* FEMOCS (https://github.com/veskem/femocs)&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
== Research Projects ==&lt;br /&gt;
=== Ongoing Activities ===&lt;br /&gt;
* [[PUT 1372 - Mechanisms of vacuum arching in high electric field systems]]&lt;br /&gt;
&lt;br /&gt;
=== Ongoing PhD Projects ===&lt;br /&gt;
* [[Computer assisted design and development of tailored nanostructures]]&lt;br /&gt;
* [[Mechanisms of vacuum arching in high electric field systems]]&lt;br /&gt;
&lt;br /&gt;
=== Glory and Success ===&lt;br /&gt;
* [https://novaator.err.ee/944778/mis-suunas-areneb-nanotehnoloogia Novaator - mis suunas areneb nanotehnoloogia]&lt;br /&gt;
* [http://bonnier2b.ee/trykised/innovatiiv_2017.pdf Arvutisimulatsioonid ja nende rakendused disainis]&lt;br /&gt;
* [https://www.uttv.ee/naita?id=26381 Tartu Ülikooli demopäev - Arvutisimulatsioonid tootearenduses]&lt;br /&gt;
* [[PUT 57 - Multiscale simulations of dislocation generation in rf electric fields in the linear accelerator design (01.01.2013 - 31.12.2016)]]&lt;br /&gt;
* [[ETF 9216 - Development and optimization of 3D-microbatteries (01.01.2012-31.21.2015)]]&lt;br /&gt;
&lt;br /&gt;
=== Student projects  ===&lt;br /&gt;
* [[Materjalidefektide simuleerimine kõrgetes elektriväljades]]&lt;br /&gt;
* [[Järgmise generatsiooni bioreaktorid]]&lt;br /&gt;
* [[Ehitiste konstruktsioonielementide multiskaala mudelite arendamine]]&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
== Members ==&lt;br /&gt;
&lt;br /&gt;
{{Team|&lt;br /&gt;
{{TeamMember|Vahur|Vahur Zadin|senior researcher (finite element modelling, molecular dynamics, high electric fields, CERN))}}&lt;br /&gt;
{{TeamMember|Tarmo|Tarmo Tamm|seniour researcher}}&lt;br /&gt;
{{TeamMember|Heiki|Heiki Kasemägi|senior researcher (ion-conducting polymer, computer simulations) &amp;amp; Computer engineering study programme manager}}&lt;br /&gt;
{{TeamMember|Alvo|Alvo Aabloo| professor, head of the IMS lab}}&lt;br /&gt;
{{TeamMember|Kristiankuppart|Kristian Kuppart|PhD student (MD in high electric fields)}}&lt;br /&gt;
{{TeamMember|Faiza|Faiza Summer|PhD student (Flow-capacitor)}}&lt;br /&gt;
{{TeamMember|Ats.aasmaa|Ats Aasmaa|student (modelling of microbatteries)}}&lt;br /&gt;
{{TeamMember|Mihkel.Veske|Mihkel Veske|in Helsinki University}}&lt;br /&gt;
{{TeamMember|ye.wang|Ye Wang|PhD student (Design and development of tailored nanostructures)}}&lt;br /&gt;
}}&lt;br /&gt;
&lt;br /&gt;
=== Friends and collaborators ===&lt;br /&gt;
&lt;br /&gt;
* Flyura Djurabekova (Helsinki University)&lt;br /&gt;
* Ville Jansson (Helsinki University)&lt;br /&gt;
* Walter Wuench (CERN)&lt;br /&gt;
* Daniel Brandell (Uppsala University)&lt;br /&gt;
* Sergei Vlassov (UT, Institute of Physics)&lt;br /&gt;
&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
==Publications==&lt;br /&gt;
(All references in Harvard style from Google Scholar)&lt;br /&gt;
&lt;br /&gt;
# [[Data sets of migration barriers for atomistic Kinetic Monte Carlo simulations of Cu self-diffusion via first nearest neighbour atomic jumps. Data in Brief, 17, pp.739-743|Baibuz, E., Vigonski, S., Lahtinen, J., Zhao, J., Jansson, V., Zadin, V. and Djurabekova, F., 2018. Data sets of migration barriers for atomistic Kinetic Monte Carlo simulations of Cu self-diffusion via first nearest neighbour atomic jumps. Data in Brief, 17, pp.739-743]]&lt;br /&gt;
# Zadin, V., Veske, M., Vigonski, S., Jansson, V., Muszynski, J., Parviainen, S., Aabloo, A. and Djurabekova, F., 2018. Simulations of surface stress effects in nanoscale single crystals. Modelling and Simulation in Materials Science and Engineering.&lt;br /&gt;
# Metspalu, T., Jansson, V., Zadin, V., Avchaciov, K., Nordlund, K., Aabloo, A. and Djurabekova, F., 2018. Cu self-sputtering MD simulations for 0.1–5 keV ions at elevated temperatures. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 415, pp.31-40.&lt;br /&gt;
# Vigonski, S., Jansson, V., Vlassov, S., Polyakov, B., Baibuz, E., Oras, S., Aabloo, A., Djurabekova, F. and Zadin, V., 2017. Au nanowire junction breakup through surface atom diffusion. Nanotechnology, 29(1), p.015704.&lt;br /&gt;
#Kyritsakis, A., Veske, M., Eimre, K., Zadin, V. and Djurabekova, F., 2017. Thermal runaway and evaporation of metal nano-tips during intense electron emission. arXiv preprint arXiv:1710.00050.&lt;br /&gt;
#Priimägi, P., Kasemägi, H., Aabloo, A., Brandell, D. and Zadin, V., 2017. Thermal Simulations of Polymer Electrolyte 3D Li-Microbatteries. Electrochimica Acta, 244, pp.129-138.&lt;br /&gt;
#Baibuz, E., Vigonski, S., Lahtinen, J., Zhao, J., Jansson, V., Zadin, V. and Djurabekova, F., 2017. Migration barriers for surface diffusion on a rigid lattice: challenges and solutions. arXiv preprint arXiv:1707.05765.&lt;br /&gt;
#Veske, M., Kyritsakis, A., Eimre, K., Zadin, V., Aabloo, A. and Djurabekova, F., 2017. Dynamic coupling of a finite element solver to large-scale atomistic simulations. arXiv preprint arXiv:1706.09661.&lt;br /&gt;
#Yanagisawa, H., Zadin, V., Kunze, K., Hafner, C., Aabloo, A., Kim, D.E., Kling, M.F., Djurabekova, F., Osterwalder, J. and Wuensch, W., 2016. Laser-induced asymmetric faceting and growth of a nano-protrusion on a tungsten tip. APL Photonics, 1(9), p.091305.&lt;br /&gt;
#Mets, M., Antsov, M., Zadin, V., Dorogin, L.M., Aabloo, A., Polyakov, B., Lõhmus, R. and Vlassov, S., 2016. Structural factor in bending testing of fivefold twinned nanowires revealed by finite element analysis. Physica Scripta, 91(11), p.115701.&lt;br /&gt;
#CLIC, T., Boland, M.J., Felzmann, U., Giansiracusa, P.J., Lucas, T.G., Rassool, R.P., Balazs, C., Charles, T.K., Afanaciev, K., Emeliantchik, I. and Ignatenko, A., 2016. Updated baseline for a staged Compact Linear Collider. arXiv preprint arXiv:1608.07537.&lt;br /&gt;
#Priimägi, P., Brandell, D., Srivastav, S., Aabloo, A., Kasemägi, H. and Zadin, V., 2016. Optimizing the design of 3D-pillar microbatteries using finite element modelling. Electrochimica Acta, 209, pp.138-148.&lt;br /&gt;
#Veske, M., Kyritsakis, A., Djurabekova, F., Aare, R., Eimre, K. and Zadin, V., 2016, July. Atomistic modeling of metal surfaces under high electric fields: Direct coupling of electric fields to the atomistic simulations. In Vacuum Nanoelectronics Conference (IVNC), 2016 29th International (pp. 1-2). IEEE.&lt;br /&gt;
#Veske, M., Parviainen, S., Zadin, V., Aabloo, A. and Djurabekova, F., 2016. Electrodynamics—molecular dynamics simulations of the stability of Cu nanotips under high electric field. Journal of Physics D: Applied Physics, 49(21), p.215301.&lt;br /&gt;
#Vigonski, S., Veske, M., Aabloo, A., Djurabekova, F. and Zadin, V., 2015. Verification of a multiscale surface stress model near voids in copper under the load induced by external high electric field. Applied Mathematics and Computation, 267, pp.476-486.&lt;br /&gt;
#Zadin, V., Kasemägi, H., Valdna, V., Vigonski, S., Veske, M. and Aabloo, A., 2015. Application of multiphysics and multiscale simulations to optimize industrial wood drying kilns. Applied Mathematics and Computation, 267, pp.465-475.&lt;br /&gt;
#Eimre, K., Parviainen, S., Aabloo, A., Djurabekova, F. and Zadin, V., 2015. Application of the general thermal field model to simulate the behaviour of nanoscale Cu field emitters. Journal of Applied Physics, 118(3), p.033303.&lt;br /&gt;
#Vigonski, S., Djurabekova, F., Veske, M., Aabloo, A. and Zadin, V., 2015. Molecular dynamics simulations of near-surface Fe precipitates in Cu under high electric fields. Modelling and Simulation in Materials Science and Engineering, 23(2), p.025009.&lt;br /&gt;
#Zadin, V., Krasheninnikov, A.V., Djurabekova, F. and Nordlund, K., 2015. Simulations of electromechanical shape transformations of Au nanoparticles. physica status solidi (b), 252(1), pp.144-148.&lt;br /&gt;
#Zadin, V., Pohjonen, A., Aabloo, A., Nordlund, K. and Djurabekova, F., 2014. Electrostatic-elastoplastic simulations of copper surface under high electric fields. Physical Review Special Topics-Accelerators and Beams, 17(10), p.103501.&lt;br /&gt;
#Zadin, V., Brandell, D., Kasemägi, H., Lellep, J. and Aabloo, A., 2013. Designing the 3D-microbattery geometry using the level-set method. Journal of Power Sources, 244, pp.417-428.&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
==Defended theses==&lt;br /&gt;
&lt;br /&gt;
=== Masters Theses ===&lt;br /&gt;
* Kristjan Eimre&lt;br /&gt;
* Kristian Kuppart&lt;br /&gt;
* Robert Aare&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
=== Bachelor's theses ===&lt;br /&gt;
&lt;br /&gt;
* [[Kristjan Eimre - title]]&lt;br /&gt;
* [[Kristian Kuppart - title]]&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;/div&gt;</summary>
		<author><name>Vahur</name></author>
	</entry>
	<entry>
		<id>https://ims.ut.ee/index.php?title=Computational_Materials&amp;diff=21402</id>
		<title>Computational Materials</title>
		<link rel="alternate" type="text/html" href="https://ims.ut.ee/index.php?title=Computational_Materials&amp;diff=21402"/>
		<updated>2019-11-21T11:26:12Z</updated>

		<summary type="html">&lt;p&gt;Vahur: /* Ongoing PhD Projects */&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;== Our vision, goal and what we do ==&lt;br /&gt;
&lt;br /&gt;
[[File:multiscale.png|200px|thumb|right| Simulations heat transfer and mechanical stress of FCC metal in multiscale framework.]]&lt;br /&gt;
&lt;br /&gt;
Computer simulations are some of the most fascinating tools made available due to the development of modern computational technology. Simulations in physics, chemistry, materials science, engineering etc. allow us to obtain detailed information of the phenomena of interest and provide often complete 3D and time dependent information of quantities like electromagnetic fields, temperature, forces and mechanical stresses, deformations. Such information leads to deep insights and understanding of nature around us, opening ways to understand complex physical and chemical processes and to the development of novel technologies and applications.&lt;br /&gt;
&lt;br /&gt;
The simulation activities conducted in the lab involve all levels from atomistic to macroscopic (DFT -&amp;gt; Molecular Dynamics -&amp;gt; Monter Carlo -&amp;gt; Finite Elements), including combinations of these methods i.e. multi scale simulations. The core capacity involves both, computational studies of materials and development of new methodology. &lt;br /&gt;
&lt;br /&gt;
Some examples of applications:&lt;br /&gt;
&lt;br /&gt;
* Mechanics&lt;br /&gt;
* CFD (turbulent &amp;amp; laminar)  &lt;br /&gt;
* Heat transport&lt;br /&gt;
* Electric and magnetic fields&lt;br /&gt;
* Chemical reactions&lt;br /&gt;
* Acoustics&lt;br /&gt;
* Multiphysics combinations of these phenomena!&lt;br /&gt;
&lt;br /&gt;
=== Image gallery ===&lt;br /&gt;
&lt;br /&gt;
&amp;lt;gallery mode=&amp;quot;packed-hover&amp;quot;&amp;gt;&lt;br /&gt;
file:multiscale.png|''Multiscaling with FEM in nano-contact''&lt;br /&gt;
file:strainsfinal_facebook.jpg|&amp;quot;Shear strain field around nanovoid in MD and FEM&amp;quot;&lt;br /&gt;
file:tension2.gif|&amp;quot;Animation of stress and deformation in Cu during tensile testing&amp;quot;&lt;br /&gt;
file:Foam_Graphical_abstract_png.png|&amp;quot;Ionic transport in 3D microbattery.&amp;quot;&lt;br /&gt;
&amp;lt;/gallery&amp;gt;&lt;br /&gt;
&lt;br /&gt;
=== Tools we use ===&lt;br /&gt;
* Comsol Multiphysics  [https://www.comsol.com/]&lt;br /&gt;
* LAMMPS [http://lammps.sandia.gov/]&lt;br /&gt;
* DEAL.II open source finite element library [http://dealii.org/]&lt;br /&gt;
* OpenFOAM CFD [https://www.openfoam.com/]&lt;br /&gt;
* FEMOCS (https://github.com/veskem/femocs)&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
== Research Projects ==&lt;br /&gt;
=== Ongoing Activities ===&lt;br /&gt;
* [[PUT 1372 - Mechanisms of vacuum arching in high electric field systems]]&lt;br /&gt;
&lt;br /&gt;
=== Ongoing PhD Projects ===&lt;br /&gt;
* [[Computer assisted design and development of tailored nanostructures]]&lt;br /&gt;
* [[wrk]]&lt;br /&gt;
&lt;br /&gt;
=== Glory and Success ===&lt;br /&gt;
* [https://novaator.err.ee/944778/mis-suunas-areneb-nanotehnoloogia Novaator - mis suunas areneb nanotehnoloogia]&lt;br /&gt;
* [http://bonnier2b.ee/trykised/innovatiiv_2017.pdf Arvutisimulatsioonid ja nende rakendused disainis]&lt;br /&gt;
* [https://www.uttv.ee/naita?id=26381 Tartu Ülikooli demopäev - Arvutisimulatsioonid tootearenduses]&lt;br /&gt;
* [[PUT 57 - Multiscale simulations of dislocation generation in rf electric fields in the linear accelerator design (01.01.2013 - 31.12.2016)]]&lt;br /&gt;
* [[ETF 9216 - Development and optimization of 3D-microbatteries (01.01.2012-31.21.2015)]]&lt;br /&gt;
&lt;br /&gt;
=== Student projects  ===&lt;br /&gt;
* [[Materjalidefektide simuleerimine kõrgetes elektriväljades]]&lt;br /&gt;
* [[Järgmise generatsiooni bioreaktorid]]&lt;br /&gt;
* [[Ehitiste konstruktsioonielementide multiskaala mudelite arendamine]]&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
== Members ==&lt;br /&gt;
&lt;br /&gt;
{{Team|&lt;br /&gt;
{{TeamMember|Vahur|Vahur Zadin|senior researcher (finite element modelling, molecular dynamics, high electric fields, CERN))}}&lt;br /&gt;
{{TeamMember|Tarmo|Tarmo Tamm|seniour researcher}}&lt;br /&gt;
{{TeamMember|Heiki|Heiki Kasemägi|senior researcher (ion-conducting polymer, computer simulations) &amp;amp; Computer engineering study programme manager}}&lt;br /&gt;
{{TeamMember|Alvo|Alvo Aabloo| professor, head of the IMS lab}}&lt;br /&gt;
{{TeamMember|Kristiankuppart|Kristian Kuppart|PhD student (MD in high electric fields)}}&lt;br /&gt;
{{TeamMember|Faiza|Faiza Summer|PhD student (Flow-capacitor)}}&lt;br /&gt;
{{TeamMember|Ats.aasmaa|Ats Aasmaa|student (modelling of microbatteries)}}&lt;br /&gt;
{{TeamMember|Mihkel.Veske|Mihkel Veske|in Helsinki University}}&lt;br /&gt;
{{TeamMember|ye.wang|Ye Wang|PhD student (Design and development of tailored nanostructures)}}&lt;br /&gt;
}}&lt;br /&gt;
&lt;br /&gt;
=== Friends and collaborators ===&lt;br /&gt;
&lt;br /&gt;
* Flyura Djurabekova (Helsinki University)&lt;br /&gt;
* Ville Jansson (Helsinki University)&lt;br /&gt;
* Walter Wuench (CERN)&lt;br /&gt;
* Daniel Brandell (Uppsala University)&lt;br /&gt;
* Sergei Vlassov (UT, Institute of Physics)&lt;br /&gt;
&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
==Publications==&lt;br /&gt;
(All references in Harvard style from Google Scholar)&lt;br /&gt;
&lt;br /&gt;
# [[Data sets of migration barriers for atomistic Kinetic Monte Carlo simulations of Cu self-diffusion via first nearest neighbour atomic jumps. Data in Brief, 17, pp.739-743|Baibuz, E., Vigonski, S., Lahtinen, J., Zhao, J., Jansson, V., Zadin, V. and Djurabekova, F., 2018. Data sets of migration barriers for atomistic Kinetic Monte Carlo simulations of Cu self-diffusion via first nearest neighbour atomic jumps. Data in Brief, 17, pp.739-743]]&lt;br /&gt;
# Zadin, V., Veske, M., Vigonski, S., Jansson, V., Muszynski, J., Parviainen, S., Aabloo, A. and Djurabekova, F., 2018. Simulations of surface stress effects in nanoscale single crystals. Modelling and Simulation in Materials Science and Engineering.&lt;br /&gt;
# Metspalu, T., Jansson, V., Zadin, V., Avchaciov, K., Nordlund, K., Aabloo, A. and Djurabekova, F., 2018. Cu self-sputtering MD simulations for 0.1–5 keV ions at elevated temperatures. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 415, pp.31-40.&lt;br /&gt;
# Vigonski, S., Jansson, V., Vlassov, S., Polyakov, B., Baibuz, E., Oras, S., Aabloo, A., Djurabekova, F. and Zadin, V., 2017. Au nanowire junction breakup through surface atom diffusion. Nanotechnology, 29(1), p.015704.&lt;br /&gt;
#Kyritsakis, A., Veske, M., Eimre, K., Zadin, V. and Djurabekova, F., 2017. Thermal runaway and evaporation of metal nano-tips during intense electron emission. arXiv preprint arXiv:1710.00050.&lt;br /&gt;
#Priimägi, P., Kasemägi, H., Aabloo, A., Brandell, D. and Zadin, V., 2017. Thermal Simulations of Polymer Electrolyte 3D Li-Microbatteries. Electrochimica Acta, 244, pp.129-138.&lt;br /&gt;
#Baibuz, E., Vigonski, S., Lahtinen, J., Zhao, J., Jansson, V., Zadin, V. and Djurabekova, F., 2017. Migration barriers for surface diffusion on a rigid lattice: challenges and solutions. arXiv preprint arXiv:1707.05765.&lt;br /&gt;
#Veske, M., Kyritsakis, A., Eimre, K., Zadin, V., Aabloo, A. and Djurabekova, F., 2017. Dynamic coupling of a finite element solver to large-scale atomistic simulations. arXiv preprint arXiv:1706.09661.&lt;br /&gt;
#Yanagisawa, H., Zadin, V., Kunze, K., Hafner, C., Aabloo, A., Kim, D.E., Kling, M.F., Djurabekova, F., Osterwalder, J. and Wuensch, W., 2016. Laser-induced asymmetric faceting and growth of a nano-protrusion on a tungsten tip. APL Photonics, 1(9), p.091305.&lt;br /&gt;
#Mets, M., Antsov, M., Zadin, V., Dorogin, L.M., Aabloo, A., Polyakov, B., Lõhmus, R. and Vlassov, S., 2016. Structural factor in bending testing of fivefold twinned nanowires revealed by finite element analysis. Physica Scripta, 91(11), p.115701.&lt;br /&gt;
#CLIC, T., Boland, M.J., Felzmann, U., Giansiracusa, P.J., Lucas, T.G., Rassool, R.P., Balazs, C., Charles, T.K., Afanaciev, K., Emeliantchik, I. and Ignatenko, A., 2016. Updated baseline for a staged Compact Linear Collider. arXiv preprint arXiv:1608.07537.&lt;br /&gt;
#Priimägi, P., Brandell, D., Srivastav, S., Aabloo, A., Kasemägi, H. and Zadin, V., 2016. Optimizing the design of 3D-pillar microbatteries using finite element modelling. Electrochimica Acta, 209, pp.138-148.&lt;br /&gt;
#Veske, M., Kyritsakis, A., Djurabekova, F., Aare, R., Eimre, K. and Zadin, V., 2016, July. Atomistic modeling of metal surfaces under high electric fields: Direct coupling of electric fields to the atomistic simulations. In Vacuum Nanoelectronics Conference (IVNC), 2016 29th International (pp. 1-2). IEEE.&lt;br /&gt;
#Veske, M., Parviainen, S., Zadin, V., Aabloo, A. and Djurabekova, F., 2016. Electrodynamics—molecular dynamics simulations of the stability of Cu nanotips under high electric field. Journal of Physics D: Applied Physics, 49(21), p.215301.&lt;br /&gt;
#Vigonski, S., Veske, M., Aabloo, A., Djurabekova, F. and Zadin, V., 2015. Verification of a multiscale surface stress model near voids in copper under the load induced by external high electric field. Applied Mathematics and Computation, 267, pp.476-486.&lt;br /&gt;
#Zadin, V., Kasemägi, H., Valdna, V., Vigonski, S., Veske, M. and Aabloo, A., 2015. Application of multiphysics and multiscale simulations to optimize industrial wood drying kilns. Applied Mathematics and Computation, 267, pp.465-475.&lt;br /&gt;
#Eimre, K., Parviainen, S., Aabloo, A., Djurabekova, F. and Zadin, V., 2015. Application of the general thermal field model to simulate the behaviour of nanoscale Cu field emitters. Journal of Applied Physics, 118(3), p.033303.&lt;br /&gt;
#Vigonski, S., Djurabekova, F., Veske, M., Aabloo, A. and Zadin, V., 2015. Molecular dynamics simulations of near-surface Fe precipitates in Cu under high electric fields. Modelling and Simulation in Materials Science and Engineering, 23(2), p.025009.&lt;br /&gt;
#Zadin, V., Krasheninnikov, A.V., Djurabekova, F. and Nordlund, K., 2015. Simulations of electromechanical shape transformations of Au nanoparticles. physica status solidi (b), 252(1), pp.144-148.&lt;br /&gt;
#Zadin, V., Pohjonen, A., Aabloo, A., Nordlund, K. and Djurabekova, F., 2014. Electrostatic-elastoplastic simulations of copper surface under high electric fields. Physical Review Special Topics-Accelerators and Beams, 17(10), p.103501.&lt;br /&gt;
#Zadin, V., Brandell, D., Kasemägi, H., Lellep, J. and Aabloo, A., 2013. Designing the 3D-microbattery geometry using the level-set method. Journal of Power Sources, 244, pp.417-428.&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
==Defended theses==&lt;br /&gt;
&lt;br /&gt;
=== Masters Theses ===&lt;br /&gt;
* Kristjan Eimre&lt;br /&gt;
* Kristian Kuppart&lt;br /&gt;
* Robert Aare&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
=== Bachelor's theses ===&lt;br /&gt;
&lt;br /&gt;
* [[Kristjan Eimre - title]]&lt;br /&gt;
* [[Kristian Kuppart - title]]&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;/div&gt;</summary>
		<author><name>Vahur</name></author>
	</entry>
	<entry>
		<id>https://ims.ut.ee/index.php?title=Computational_Materials&amp;diff=21401</id>
		<title>Computational Materials</title>
		<link rel="alternate" type="text/html" href="https://ims.ut.ee/index.php?title=Computational_Materials&amp;diff=21401"/>
		<updated>2019-11-21T11:25:51Z</updated>

		<summary type="html">&lt;p&gt;Vahur: /* Ongoing PhD Projects */&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;== Our vision, goal and what we do ==&lt;br /&gt;
&lt;br /&gt;
[[File:multiscale.png|200px|thumb|right| Simulations heat transfer and mechanical stress of FCC metal in multiscale framework.]]&lt;br /&gt;
&lt;br /&gt;
Computer simulations are some of the most fascinating tools made available due to the development of modern computational technology. Simulations in physics, chemistry, materials science, engineering etc. allow us to obtain detailed information of the phenomena of interest and provide often complete 3D and time dependent information of quantities like electromagnetic fields, temperature, forces and mechanical stresses, deformations. Such information leads to deep insights and understanding of nature around us, opening ways to understand complex physical and chemical processes and to the development of novel technologies and applications.&lt;br /&gt;
&lt;br /&gt;
The simulation activities conducted in the lab involve all levels from atomistic to macroscopic (DFT -&amp;gt; Molecular Dynamics -&amp;gt; Monter Carlo -&amp;gt; Finite Elements), including combinations of these methods i.e. multi scale simulations. The core capacity involves both, computational studies of materials and development of new methodology. &lt;br /&gt;
&lt;br /&gt;
Some examples of applications:&lt;br /&gt;
&lt;br /&gt;
* Mechanics&lt;br /&gt;
* CFD (turbulent &amp;amp; laminar)  &lt;br /&gt;
* Heat transport&lt;br /&gt;
* Electric and magnetic fields&lt;br /&gt;
* Chemical reactions&lt;br /&gt;
* Acoustics&lt;br /&gt;
* Multiphysics combinations of these phenomena!&lt;br /&gt;
&lt;br /&gt;
=== Image gallery ===&lt;br /&gt;
&lt;br /&gt;
&amp;lt;gallery mode=&amp;quot;packed-hover&amp;quot;&amp;gt;&lt;br /&gt;
file:multiscale.png|''Multiscaling with FEM in nano-contact''&lt;br /&gt;
file:strainsfinal_facebook.jpg|&amp;quot;Shear strain field around nanovoid in MD and FEM&amp;quot;&lt;br /&gt;
file:tension2.gif|&amp;quot;Animation of stress and deformation in Cu during tensile testing&amp;quot;&lt;br /&gt;
file:Foam_Graphical_abstract_png.png|&amp;quot;Ionic transport in 3D microbattery.&amp;quot;&lt;br /&gt;
&amp;lt;/gallery&amp;gt;&lt;br /&gt;
&lt;br /&gt;
=== Tools we use ===&lt;br /&gt;
* Comsol Multiphysics  [https://www.comsol.com/]&lt;br /&gt;
* LAMMPS [http://lammps.sandia.gov/]&lt;br /&gt;
* DEAL.II open source finite element library [http://dealii.org/]&lt;br /&gt;
* OpenFOAM CFD [https://www.openfoam.com/]&lt;br /&gt;
* FEMOCS (https://github.com/veskem/femocs)&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
== Research Projects ==&lt;br /&gt;
=== Ongoing Activities ===&lt;br /&gt;
* [[PUT 1372 - Mechanisms of vacuum arching in high electric field systems]]&lt;br /&gt;
&lt;br /&gt;
=== Ongoing PhD Projects ===&lt;br /&gt;
* [[Computer assisted design and development of tailored nanostructures]]&lt;br /&gt;
* [[Mechanisms of vacuum arching in high electric field systems]]&lt;br /&gt;
&lt;br /&gt;
=== Glory and Success ===&lt;br /&gt;
* [https://novaator.err.ee/944778/mis-suunas-areneb-nanotehnoloogia Novaator - mis suunas areneb nanotehnoloogia]&lt;br /&gt;
* [http://bonnier2b.ee/trykised/innovatiiv_2017.pdf Arvutisimulatsioonid ja nende rakendused disainis]&lt;br /&gt;
* [https://www.uttv.ee/naita?id=26381 Tartu Ülikooli demopäev - Arvutisimulatsioonid tootearenduses]&lt;br /&gt;
* [[PUT 57 - Multiscale simulations of dislocation generation in rf electric fields in the linear accelerator design (01.01.2013 - 31.12.2016)]]&lt;br /&gt;
* [[ETF 9216 - Development and optimization of 3D-microbatteries (01.01.2012-31.21.2015)]]&lt;br /&gt;
&lt;br /&gt;
=== Student projects  ===&lt;br /&gt;
* [[Materjalidefektide simuleerimine kõrgetes elektriväljades]]&lt;br /&gt;
* [[Järgmise generatsiooni bioreaktorid]]&lt;br /&gt;
* [[Ehitiste konstruktsioonielementide multiskaala mudelite arendamine]]&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
== Members ==&lt;br /&gt;
&lt;br /&gt;
{{Team|&lt;br /&gt;
{{TeamMember|Vahur|Vahur Zadin|senior researcher (finite element modelling, molecular dynamics, high electric fields, CERN))}}&lt;br /&gt;
{{TeamMember|Tarmo|Tarmo Tamm|seniour researcher}}&lt;br /&gt;
{{TeamMember|Heiki|Heiki Kasemägi|senior researcher (ion-conducting polymer, computer simulations) &amp;amp; Computer engineering study programme manager}}&lt;br /&gt;
{{TeamMember|Alvo|Alvo Aabloo| professor, head of the IMS lab}}&lt;br /&gt;
{{TeamMember|Kristiankuppart|Kristian Kuppart|PhD student (MD in high electric fields)}}&lt;br /&gt;
{{TeamMember|Faiza|Faiza Summer|PhD student (Flow-capacitor)}}&lt;br /&gt;
{{TeamMember|Ats.aasmaa|Ats Aasmaa|student (modelling of microbatteries)}}&lt;br /&gt;
{{TeamMember|Mihkel.Veske|Mihkel Veske|in Helsinki University}}&lt;br /&gt;
{{TeamMember|ye.wang|Ye Wang|PhD student (Design and development of tailored nanostructures)}}&lt;br /&gt;
}}&lt;br /&gt;
&lt;br /&gt;
=== Friends and collaborators ===&lt;br /&gt;
&lt;br /&gt;
* Flyura Djurabekova (Helsinki University)&lt;br /&gt;
* Ville Jansson (Helsinki University)&lt;br /&gt;
* Walter Wuench (CERN)&lt;br /&gt;
* Daniel Brandell (Uppsala University)&lt;br /&gt;
* Sergei Vlassov (UT, Institute of Physics)&lt;br /&gt;
&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
==Publications==&lt;br /&gt;
(All references in Harvard style from Google Scholar)&lt;br /&gt;
&lt;br /&gt;
# [[Data sets of migration barriers for atomistic Kinetic Monte Carlo simulations of Cu self-diffusion via first nearest neighbour atomic jumps. Data in Brief, 17, pp.739-743|Baibuz, E., Vigonski, S., Lahtinen, J., Zhao, J., Jansson, V., Zadin, V. and Djurabekova, F., 2018. Data sets of migration barriers for atomistic Kinetic Monte Carlo simulations of Cu self-diffusion via first nearest neighbour atomic jumps. Data in Brief, 17, pp.739-743]]&lt;br /&gt;
# Zadin, V., Veske, M., Vigonski, S., Jansson, V., Muszynski, J., Parviainen, S., Aabloo, A. and Djurabekova, F., 2018. Simulations of surface stress effects in nanoscale single crystals. Modelling and Simulation in Materials Science and Engineering.&lt;br /&gt;
# Metspalu, T., Jansson, V., Zadin, V., Avchaciov, K., Nordlund, K., Aabloo, A. and Djurabekova, F., 2018. Cu self-sputtering MD simulations for 0.1–5 keV ions at elevated temperatures. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 415, pp.31-40.&lt;br /&gt;
# Vigonski, S., Jansson, V., Vlassov, S., Polyakov, B., Baibuz, E., Oras, S., Aabloo, A., Djurabekova, F. and Zadin, V., 2017. Au nanowire junction breakup through surface atom diffusion. Nanotechnology, 29(1), p.015704.&lt;br /&gt;
#Kyritsakis, A., Veske, M., Eimre, K., Zadin, V. and Djurabekova, F., 2017. Thermal runaway and evaporation of metal nano-tips during intense electron emission. arXiv preprint arXiv:1710.00050.&lt;br /&gt;
#Priimägi, P., Kasemägi, H., Aabloo, A., Brandell, D. and Zadin, V., 2017. Thermal Simulations of Polymer Electrolyte 3D Li-Microbatteries. Electrochimica Acta, 244, pp.129-138.&lt;br /&gt;
#Baibuz, E., Vigonski, S., Lahtinen, J., Zhao, J., Jansson, V., Zadin, V. and Djurabekova, F., 2017. Migration barriers for surface diffusion on a rigid lattice: challenges and solutions. arXiv preprint arXiv:1707.05765.&lt;br /&gt;
#Veske, M., Kyritsakis, A., Eimre, K., Zadin, V., Aabloo, A. and Djurabekova, F., 2017. Dynamic coupling of a finite element solver to large-scale atomistic simulations. arXiv preprint arXiv:1706.09661.&lt;br /&gt;
#Yanagisawa, H., Zadin, V., Kunze, K., Hafner, C., Aabloo, A., Kim, D.E., Kling, M.F., Djurabekova, F., Osterwalder, J. and Wuensch, W., 2016. Laser-induced asymmetric faceting and growth of a nano-protrusion on a tungsten tip. APL Photonics, 1(9), p.091305.&lt;br /&gt;
#Mets, M., Antsov, M., Zadin, V., Dorogin, L.M., Aabloo, A., Polyakov, B., Lõhmus, R. and Vlassov, S., 2016. Structural factor in bending testing of fivefold twinned nanowires revealed by finite element analysis. Physica Scripta, 91(11), p.115701.&lt;br /&gt;
#CLIC, T., Boland, M.J., Felzmann, U., Giansiracusa, P.J., Lucas, T.G., Rassool, R.P., Balazs, C., Charles, T.K., Afanaciev, K., Emeliantchik, I. and Ignatenko, A., 2016. Updated baseline for a staged Compact Linear Collider. arXiv preprint arXiv:1608.07537.&lt;br /&gt;
#Priimägi, P., Brandell, D., Srivastav, S., Aabloo, A., Kasemägi, H. and Zadin, V., 2016. Optimizing the design of 3D-pillar microbatteries using finite element modelling. Electrochimica Acta, 209, pp.138-148.&lt;br /&gt;
#Veske, M., Kyritsakis, A., Djurabekova, F., Aare, R., Eimre, K. and Zadin, V., 2016, July. Atomistic modeling of metal surfaces under high electric fields: Direct coupling of electric fields to the atomistic simulations. In Vacuum Nanoelectronics Conference (IVNC), 2016 29th International (pp. 1-2). IEEE.&lt;br /&gt;
#Veske, M., Parviainen, S., Zadin, V., Aabloo, A. and Djurabekova, F., 2016. Electrodynamics—molecular dynamics simulations of the stability of Cu nanotips under high electric field. Journal of Physics D: Applied Physics, 49(21), p.215301.&lt;br /&gt;
#Vigonski, S., Veske, M., Aabloo, A., Djurabekova, F. and Zadin, V., 2015. Verification of a multiscale surface stress model near voids in copper under the load induced by external high electric field. Applied Mathematics and Computation, 267, pp.476-486.&lt;br /&gt;
#Zadin, V., Kasemägi, H., Valdna, V., Vigonski, S., Veske, M. and Aabloo, A., 2015. Application of multiphysics and multiscale simulations to optimize industrial wood drying kilns. Applied Mathematics and Computation, 267, pp.465-475.&lt;br /&gt;
#Eimre, K., Parviainen, S., Aabloo, A., Djurabekova, F. and Zadin, V., 2015. Application of the general thermal field model to simulate the behaviour of nanoscale Cu field emitters. Journal of Applied Physics, 118(3), p.033303.&lt;br /&gt;
#Vigonski, S., Djurabekova, F., Veske, M., Aabloo, A. and Zadin, V., 2015. Molecular dynamics simulations of near-surface Fe precipitates in Cu under high electric fields. Modelling and Simulation in Materials Science and Engineering, 23(2), p.025009.&lt;br /&gt;
#Zadin, V., Krasheninnikov, A.V., Djurabekova, F. and Nordlund, K., 2015. Simulations of electromechanical shape transformations of Au nanoparticles. physica status solidi (b), 252(1), pp.144-148.&lt;br /&gt;
#Zadin, V., Pohjonen, A., Aabloo, A., Nordlund, K. and Djurabekova, F., 2014. Electrostatic-elastoplastic simulations of copper surface under high electric fields. Physical Review Special Topics-Accelerators and Beams, 17(10), p.103501.&lt;br /&gt;
#Zadin, V., Brandell, D., Kasemägi, H., Lellep, J. and Aabloo, A., 2013. Designing the 3D-microbattery geometry using the level-set method. Journal of Power Sources, 244, pp.417-428.&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
==Defended theses==&lt;br /&gt;
&lt;br /&gt;
=== Masters Theses ===&lt;br /&gt;
* Kristjan Eimre&lt;br /&gt;
* Kristian Kuppart&lt;br /&gt;
* Robert Aare&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
=== Bachelor's theses ===&lt;br /&gt;
&lt;br /&gt;
* [[Kristjan Eimre - title]]&lt;br /&gt;
* [[Kristian Kuppart - title]]&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;/div&gt;</summary>
		<author><name>Vahur</name></author>
	</entry>
	<entry>
		<id>https://ims.ut.ee/index.php?title=Wrk&amp;diff=21400</id>
		<title>Wrk</title>
		<link rel="alternate" type="text/html" href="https://ims.ut.ee/index.php?title=Wrk&amp;diff=21400"/>
		<updated>2019-11-21T11:25:18Z</updated>

		<summary type="html">&lt;p&gt;Vahur: Created page with &amp;quot;CERN has started a new compact electron-positron linear collider CLIC project with the aim of precise measurements of the properties of Higgs boson and to collect new data abo...&amp;quot;&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;CERN has started a new compact electron-positron linear collider CLIC project with the aim of precise measurements of the properties of Higgs boson and to collect new data about fundamental physics topics like supersymmetry, Higgs strong interactions, contact interactions and extra dimensions.  The collision energies in CLIC are in range of 0.5-5 TeV, reach by extreme electric fields (in range of  100 MV/m). However, such field values often lead to the electric breakdowns of the system. Controlling the breakdown rate and keeping it under critical level is one of the key issues to ensure successful operation of CLIC.&lt;br /&gt;
&lt;br /&gt;
The electrical breakdown (BD) signifies vacuum arc discharges in accelerating structures. The BD’s taking place under stable operating conditions (not due to surface contamination), can be limited with “conditioning” techniques.  The conditioning takes several hundreds of hours, making it inconvenient for large scale production. Instead, materials science based optimized solution, explaining the breakdown mechanisms and causes is needed. &lt;br /&gt;
&lt;br /&gt;
Theories explaining the breakdowns link them to emission currents and spontaneously appearing nanoscale field emitters. However, mechanism responsible of the appearance of such emitters, is not yet understood. The field emission currents are commonly described by Fowler-Nordheim type equations, from where the local electric field enhancement factor β is estimated. Common explanation for the β is the surface roughness, protrusions or other irregularities, with the geometrical aspect ratio in the same order of magnitude as field enhancement. Since the theoretical field strength needed to initiate a vacuum arc in case of copper is in the order of 10 to 11 GV/m, it’s commonly assumed that high aspect ratio field emitters are always present before the breakdown.&lt;br /&gt;
  &lt;br /&gt;
The aim of the current work is to understand the mechanisms leading to vacuum arching in high electric field systems. Most important gain is fundamental understanding of processes initiating the vacuum arching, leading to the development of new technologies utilizing high electric fields such as new generation particle accelerators, novel nanofabrication applications, free electron lasers, medical linear accelerators for hadron therapy or design of better RF components for satellite microwave devices.&lt;/div&gt;</summary>
		<author><name>Vahur</name></author>
	</entry>
	<entry>
		<id>https://ims.ut.ee/index.php?title=Computational_Materials&amp;diff=21399</id>
		<title>Computational Materials</title>
		<link rel="alternate" type="text/html" href="https://ims.ut.ee/index.php?title=Computational_Materials&amp;diff=21399"/>
		<updated>2019-11-21T11:24:50Z</updated>

		<summary type="html">&lt;p&gt;Vahur: /* Ongoing PhD Projects */&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;== Our vision, goal and what we do ==&lt;br /&gt;
&lt;br /&gt;
[[File:multiscale.png|200px|thumb|right| Simulations heat transfer and mechanical stress of FCC metal in multiscale framework.]]&lt;br /&gt;
&lt;br /&gt;
Computer simulations are some of the most fascinating tools made available due to the development of modern computational technology. Simulations in physics, chemistry, materials science, engineering etc. allow us to obtain detailed information of the phenomena of interest and provide often complete 3D and time dependent information of quantities like electromagnetic fields, temperature, forces and mechanical stresses, deformations. Such information leads to deep insights and understanding of nature around us, opening ways to understand complex physical and chemical processes and to the development of novel technologies and applications.&lt;br /&gt;
&lt;br /&gt;
The simulation activities conducted in the lab involve all levels from atomistic to macroscopic (DFT -&amp;gt; Molecular Dynamics -&amp;gt; Monter Carlo -&amp;gt; Finite Elements), including combinations of these methods i.e. multi scale simulations. The core capacity involves both, computational studies of materials and development of new methodology. &lt;br /&gt;
&lt;br /&gt;
Some examples of applications:&lt;br /&gt;
&lt;br /&gt;
* Mechanics&lt;br /&gt;
* CFD (turbulent &amp;amp; laminar)  &lt;br /&gt;
* Heat transport&lt;br /&gt;
* Electric and magnetic fields&lt;br /&gt;
* Chemical reactions&lt;br /&gt;
* Acoustics&lt;br /&gt;
* Multiphysics combinations of these phenomena!&lt;br /&gt;
&lt;br /&gt;
=== Image gallery ===&lt;br /&gt;
&lt;br /&gt;
&amp;lt;gallery mode=&amp;quot;packed-hover&amp;quot;&amp;gt;&lt;br /&gt;
file:multiscale.png|''Multiscaling with FEM in nano-contact''&lt;br /&gt;
file:strainsfinal_facebook.jpg|&amp;quot;Shear strain field around nanovoid in MD and FEM&amp;quot;&lt;br /&gt;
file:tension2.gif|&amp;quot;Animation of stress and deformation in Cu during tensile testing&amp;quot;&lt;br /&gt;
file:Foam_Graphical_abstract_png.png|&amp;quot;Ionic transport in 3D microbattery.&amp;quot;&lt;br /&gt;
&amp;lt;/gallery&amp;gt;&lt;br /&gt;
&lt;br /&gt;
=== Tools we use ===&lt;br /&gt;
* Comsol Multiphysics  [https://www.comsol.com/]&lt;br /&gt;
* LAMMPS [http://lammps.sandia.gov/]&lt;br /&gt;
* DEAL.II open source finite element library [http://dealii.org/]&lt;br /&gt;
* OpenFOAM CFD [https://www.openfoam.com/]&lt;br /&gt;
* FEMOCS (https://github.com/veskem/femocs)&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
== Research Projects ==&lt;br /&gt;
=== Ongoing Activities ===&lt;br /&gt;
* [[PUT 1372 - Mechanisms of vacuum arching in high electric field systems]]&lt;br /&gt;
&lt;br /&gt;
=== Ongoing PhD Projects ===&lt;br /&gt;
* [[Computer assisted design and development of tailored nanostructures]]&lt;br /&gt;
* [[ wrk]]&lt;br /&gt;
&lt;br /&gt;
=== Glory and Success ===&lt;br /&gt;
* [https://novaator.err.ee/944778/mis-suunas-areneb-nanotehnoloogia Novaator - mis suunas areneb nanotehnoloogia]&lt;br /&gt;
* [http://bonnier2b.ee/trykised/innovatiiv_2017.pdf Arvutisimulatsioonid ja nende rakendused disainis]&lt;br /&gt;
* [https://www.uttv.ee/naita?id=26381 Tartu Ülikooli demopäev - Arvutisimulatsioonid tootearenduses]&lt;br /&gt;
* [[PUT 57 - Multiscale simulations of dislocation generation in rf electric fields in the linear accelerator design (01.01.2013 - 31.12.2016)]]&lt;br /&gt;
* [[ETF 9216 - Development and optimization of 3D-microbatteries (01.01.2012-31.21.2015)]]&lt;br /&gt;
&lt;br /&gt;
=== Student projects  ===&lt;br /&gt;
* [[Materjalidefektide simuleerimine kõrgetes elektriväljades]]&lt;br /&gt;
* [[Järgmise generatsiooni bioreaktorid]]&lt;br /&gt;
* [[Ehitiste konstruktsioonielementide multiskaala mudelite arendamine]]&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
== Members ==&lt;br /&gt;
&lt;br /&gt;
{{Team|&lt;br /&gt;
{{TeamMember|Vahur|Vahur Zadin|senior researcher (finite element modelling, molecular dynamics, high electric fields, CERN))}}&lt;br /&gt;
{{TeamMember|Tarmo|Tarmo Tamm|seniour researcher}}&lt;br /&gt;
{{TeamMember|Heiki|Heiki Kasemägi|senior researcher (ion-conducting polymer, computer simulations) &amp;amp; Computer engineering study programme manager}}&lt;br /&gt;
{{TeamMember|Alvo|Alvo Aabloo| professor, head of the IMS lab}}&lt;br /&gt;
{{TeamMember|Kristiankuppart|Kristian Kuppart|PhD student (MD in high electric fields)}}&lt;br /&gt;
{{TeamMember|Faiza|Faiza Summer|PhD student (Flow-capacitor)}}&lt;br /&gt;
{{TeamMember|Ats.aasmaa|Ats Aasmaa|student (modelling of microbatteries)}}&lt;br /&gt;
{{TeamMember|Mihkel.Veske|Mihkel Veske|in Helsinki University}}&lt;br /&gt;
{{TeamMember|ye.wang|Ye Wang|PhD student (Design and development of tailored nanostructures)}}&lt;br /&gt;
}}&lt;br /&gt;
&lt;br /&gt;
=== Friends and collaborators ===&lt;br /&gt;
&lt;br /&gt;
* Flyura Djurabekova (Helsinki University)&lt;br /&gt;
* Ville Jansson (Helsinki University)&lt;br /&gt;
* Walter Wuench (CERN)&lt;br /&gt;
* Daniel Brandell (Uppsala University)&lt;br /&gt;
* Sergei Vlassov (UT, Institute of Physics)&lt;br /&gt;
&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
==Publications==&lt;br /&gt;
(All references in Harvard style from Google Scholar)&lt;br /&gt;
&lt;br /&gt;
# [[Data sets of migration barriers for atomistic Kinetic Monte Carlo simulations of Cu self-diffusion via first nearest neighbour atomic jumps. Data in Brief, 17, pp.739-743|Baibuz, E., Vigonski, S., Lahtinen, J., Zhao, J., Jansson, V., Zadin, V. and Djurabekova, F., 2018. Data sets of migration barriers for atomistic Kinetic Monte Carlo simulations of Cu self-diffusion via first nearest neighbour atomic jumps. Data in Brief, 17, pp.739-743]]&lt;br /&gt;
# Zadin, V., Veske, M., Vigonski, S., Jansson, V., Muszynski, J., Parviainen, S., Aabloo, A. and Djurabekova, F., 2018. Simulations of surface stress effects in nanoscale single crystals. Modelling and Simulation in Materials Science and Engineering.&lt;br /&gt;
# Metspalu, T., Jansson, V., Zadin, V., Avchaciov, K., Nordlund, K., Aabloo, A. and Djurabekova, F., 2018. Cu self-sputtering MD simulations for 0.1–5 keV ions at elevated temperatures. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 415, pp.31-40.&lt;br /&gt;
# Vigonski, S., Jansson, V., Vlassov, S., Polyakov, B., Baibuz, E., Oras, S., Aabloo, A., Djurabekova, F. and Zadin, V., 2017. Au nanowire junction breakup through surface atom diffusion. Nanotechnology, 29(1), p.015704.&lt;br /&gt;
#Kyritsakis, A., Veske, M., Eimre, K., Zadin, V. and Djurabekova, F., 2017. Thermal runaway and evaporation of metal nano-tips during intense electron emission. arXiv preprint arXiv:1710.00050.&lt;br /&gt;
#Priimägi, P., Kasemägi, H., Aabloo, A., Brandell, D. and Zadin, V., 2017. Thermal Simulations of Polymer Electrolyte 3D Li-Microbatteries. Electrochimica Acta, 244, pp.129-138.&lt;br /&gt;
#Baibuz, E., Vigonski, S., Lahtinen, J., Zhao, J., Jansson, V., Zadin, V. and Djurabekova, F., 2017. Migration barriers for surface diffusion on a rigid lattice: challenges and solutions. arXiv preprint arXiv:1707.05765.&lt;br /&gt;
#Veske, M., Kyritsakis, A., Eimre, K., Zadin, V., Aabloo, A. and Djurabekova, F., 2017. Dynamic coupling of a finite element solver to large-scale atomistic simulations. arXiv preprint arXiv:1706.09661.&lt;br /&gt;
#Yanagisawa, H., Zadin, V., Kunze, K., Hafner, C., Aabloo, A., Kim, D.E., Kling, M.F., Djurabekova, F., Osterwalder, J. and Wuensch, W., 2016. Laser-induced asymmetric faceting and growth of a nano-protrusion on a tungsten tip. APL Photonics, 1(9), p.091305.&lt;br /&gt;
#Mets, M., Antsov, M., Zadin, V., Dorogin, L.M., Aabloo, A., Polyakov, B., Lõhmus, R. and Vlassov, S., 2016. Structural factor in bending testing of fivefold twinned nanowires revealed by finite element analysis. Physica Scripta, 91(11), p.115701.&lt;br /&gt;
#CLIC, T., Boland, M.J., Felzmann, U., Giansiracusa, P.J., Lucas, T.G., Rassool, R.P., Balazs, C., Charles, T.K., Afanaciev, K., Emeliantchik, I. and Ignatenko, A., 2016. Updated baseline for a staged Compact Linear Collider. arXiv preprint arXiv:1608.07537.&lt;br /&gt;
#Priimägi, P., Brandell, D., Srivastav, S., Aabloo, A., Kasemägi, H. and Zadin, V., 2016. Optimizing the design of 3D-pillar microbatteries using finite element modelling. Electrochimica Acta, 209, pp.138-148.&lt;br /&gt;
#Veske, M., Kyritsakis, A., Djurabekova, F., Aare, R., Eimre, K. and Zadin, V., 2016, July. Atomistic modeling of metal surfaces under high electric fields: Direct coupling of electric fields to the atomistic simulations. In Vacuum Nanoelectronics Conference (IVNC), 2016 29th International (pp. 1-2). IEEE.&lt;br /&gt;
#Veske, M., Parviainen, S., Zadin, V., Aabloo, A. and Djurabekova, F., 2016. Electrodynamics—molecular dynamics simulations of the stability of Cu nanotips under high electric field. Journal of Physics D: Applied Physics, 49(21), p.215301.&lt;br /&gt;
#Vigonski, S., Veske, M., Aabloo, A., Djurabekova, F. and Zadin, V., 2015. Verification of a multiscale surface stress model near voids in copper under the load induced by external high electric field. Applied Mathematics and Computation, 267, pp.476-486.&lt;br /&gt;
#Zadin, V., Kasemägi, H., Valdna, V., Vigonski, S., Veske, M. and Aabloo, A., 2015. Application of multiphysics and multiscale simulations to optimize industrial wood drying kilns. Applied Mathematics and Computation, 267, pp.465-475.&lt;br /&gt;
#Eimre, K., Parviainen, S., Aabloo, A., Djurabekova, F. and Zadin, V., 2015. Application of the general thermal field model to simulate the behaviour of nanoscale Cu field emitters. Journal of Applied Physics, 118(3), p.033303.&lt;br /&gt;
#Vigonski, S., Djurabekova, F., Veske, M., Aabloo, A. and Zadin, V., 2015. Molecular dynamics simulations of near-surface Fe precipitates in Cu under high electric fields. Modelling and Simulation in Materials Science and Engineering, 23(2), p.025009.&lt;br /&gt;
#Zadin, V., Krasheninnikov, A.V., Djurabekova, F. and Nordlund, K., 2015. Simulations of electromechanical shape transformations of Au nanoparticles. physica status solidi (b), 252(1), pp.144-148.&lt;br /&gt;
#Zadin, V., Pohjonen, A., Aabloo, A., Nordlund, K. and Djurabekova, F., 2014. Electrostatic-elastoplastic simulations of copper surface under high electric fields. Physical Review Special Topics-Accelerators and Beams, 17(10), p.103501.&lt;br /&gt;
#Zadin, V., Brandell, D., Kasemägi, H., Lellep, J. and Aabloo, A., 2013. Designing the 3D-microbattery geometry using the level-set method. Journal of Power Sources, 244, pp.417-428.&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
==Defended theses==&lt;br /&gt;
&lt;br /&gt;
=== Masters Theses ===&lt;br /&gt;
* Kristjan Eimre&lt;br /&gt;
* Kristian Kuppart&lt;br /&gt;
* Robert Aare&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
=== Bachelor's theses ===&lt;br /&gt;
&lt;br /&gt;
* [[Kristjan Eimre - title]]&lt;br /&gt;
* [[Kristian Kuppart - title]]&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;/div&gt;</summary>
		<author><name>Vahur</name></author>
	</entry>
	<entry>
		<id>https://ims.ut.ee/index.php?title=Computational_Materials&amp;diff=21381</id>
		<title>Computational Materials</title>
		<link rel="alternate" type="text/html" href="https://ims.ut.ee/index.php?title=Computational_Materials&amp;diff=21381"/>
		<updated>2019-11-20T12:17:29Z</updated>

		<summary type="html">&lt;p&gt;Vahur: /* Image gallery */&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;== Our vision, goal and what we do ==&lt;br /&gt;
&lt;br /&gt;
[[File:multiscale.png|200px|thumb|right| Simulations heat transfer and mechanical stress of FCC metal in multiscale framework.]]&lt;br /&gt;
&lt;br /&gt;
Computer simulations are some of the most fascinating tools made available due to the development of modern computational technology. Simulations in physics, chemistry, materials science, engineering etc. allow us to obtain detailed information of the phenomena of interest and provide often complete 3D and time dependent information of quantities like electromagnetic fields, temperature, forces and mechanical stresses, deformations. Such information leads to deep insights and understanding of nature around us, opening ways to understand complex physical and chemical processes and to the development of novel technologies and applications.&lt;br /&gt;
&lt;br /&gt;
The simulation activities conducted in the lab involve all levels from atomistic to macroscopic (DFT -&amp;gt; Molecular Dynamics -&amp;gt; Monter Carlo -&amp;gt; Finite Elements), including combinations of these methods i.e. multi scale simulations. The core capacity involves both, computational studies of materials and development of new methodology. &lt;br /&gt;
&lt;br /&gt;
Some examples of applications:&lt;br /&gt;
&lt;br /&gt;
* Mechanics&lt;br /&gt;
* CFD (turbulent &amp;amp; laminar)  &lt;br /&gt;
* Heat transport&lt;br /&gt;
* Electric and magnetic fields&lt;br /&gt;
* Chemical reactions&lt;br /&gt;
* Acoustics&lt;br /&gt;
* Multiphysics combinations of these phenomena!&lt;br /&gt;
&lt;br /&gt;
=== Image gallery ===&lt;br /&gt;
&lt;br /&gt;
&amp;lt;gallery mode=&amp;quot;packed-hover&amp;quot;&amp;gt;&lt;br /&gt;
file:multiscale.png|''Multiscaling with FEM in nano-contact''&lt;br /&gt;
file:strainsfinal_facebook.jpg|&amp;quot;Shear strain field around nanovoid in MD and FEM&amp;quot;&lt;br /&gt;
file:tension2.gif|&amp;quot;Animation of stress and deformation in Cu during tensile testing&amp;quot;&lt;br /&gt;
file:Foam_Graphical_abstract_png.png|&amp;quot;Ionic transport in 3D microbattery.&amp;quot;&lt;br /&gt;
&amp;lt;/gallery&amp;gt;&lt;br /&gt;
&lt;br /&gt;
=== Tools we use ===&lt;br /&gt;
* Comsol Multiphysics  [https://www.comsol.com/]&lt;br /&gt;
* LAMMPS [http://lammps.sandia.gov/]&lt;br /&gt;
* DEAL.II open source finite element library [http://dealii.org/]&lt;br /&gt;
* OpenFOAM CFD [https://www.openfoam.com/]&lt;br /&gt;
* FEMOCS (https://github.com/veskem/femocs)&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
== Research Projects ==&lt;br /&gt;
=== Ongoing Activities ===&lt;br /&gt;
* [[PUT 1372 - Mechanisms of vacuum arching in high electric field systems]]&lt;br /&gt;
&lt;br /&gt;
=== Ongoing PhD Projects ===&lt;br /&gt;
* [[Computer assisted design and development of tailored nanostructures]]&lt;br /&gt;
&lt;br /&gt;
=== Glory and Success ===&lt;br /&gt;
* [https://novaator.err.ee/944778/mis-suunas-areneb-nanotehnoloogia Novaator - mis suunas areneb nanotehnoloogia]&lt;br /&gt;
* [http://bonnier2b.ee/trykised/innovatiiv_2017.pdf Arvutisimulatsioonid ja nende rakendused disainis]&lt;br /&gt;
* [https://www.uttv.ee/naita?id=26381 Tartu Ülikooli demopäev - Arvutisimulatsioonid tootearenduses]&lt;br /&gt;
* [[PUT 57 - Multiscale simulations of dislocation generation in rf electric fields in the linear accelerator design (01.01.2013 - 31.12.2016)]]&lt;br /&gt;
* [[ETF 9216 - Development and optimization of 3D-microbatteries (01.01.2012-31.21.2015)]]&lt;br /&gt;
&lt;br /&gt;
=== Student projects  ===&lt;br /&gt;
* [[Materjalidefektide simuleerimine kõrgetes elektriväljades]]&lt;br /&gt;
* [[Järgmise generatsiooni bioreaktorid]]&lt;br /&gt;
* [[Ehitiste konstruktsioonielementide multiskaala mudelite arendamine]]&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
== Members ==&lt;br /&gt;
&lt;br /&gt;
{{Team|&lt;br /&gt;
{{TeamMember|Vahur|Vahur Zadin|senior researcher (finite element modelling, molecular dynamics, high electric fields, CERN))}}&lt;br /&gt;
{{TeamMember|Tarmo|Tarmo Tamm|seniour researcher}}&lt;br /&gt;
{{TeamMember|Heiki|Heiki Kasemägi|senior researcher (ion-conducting polymer, computer simulations) &amp;amp; Computer engineering study programme manager}}&lt;br /&gt;
{{TeamMember|Alvo|Alvo Aabloo| professor, head of the IMS lab}}&lt;br /&gt;
{{TeamMember|Kristiankuppart|Kristian Kuppart|PhD student (MD in high electric fields)}}&lt;br /&gt;
{{TeamMember|Faiza|Faiza Summer|PhD student (Flow-capacitor)}}&lt;br /&gt;
{{TeamMember|Ats.aasmaa|Ats Aasmaa|student (modelling of microbatteries)}}&lt;br /&gt;
{{TeamMember|Mihkel.Veske|Mihkel Veske|in Helsinki University}}&lt;br /&gt;
{{TeamMember|ye.wang|Ye Wang|PhD student (Design and development of tailored nanostructures)}}&lt;br /&gt;
}}&lt;br /&gt;
&lt;br /&gt;
=== Friends and collaborators ===&lt;br /&gt;
&lt;br /&gt;
* Flyura Djurabekova (Helsinki University)&lt;br /&gt;
* Ville Jansson (Helsinki University)&lt;br /&gt;
* Walter Wuench (CERN)&lt;br /&gt;
* Daniel Brandell (Uppsala University)&lt;br /&gt;
* Sergei Vlassov (UT, Institute of Physics)&lt;br /&gt;
&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
==Publications==&lt;br /&gt;
(All references in Harvard style from Google Scholar)&lt;br /&gt;
&lt;br /&gt;
# [[Data sets of migration barriers for atomistic Kinetic Monte Carlo simulations of Cu self-diffusion via first nearest neighbour atomic jumps. Data in Brief, 17, pp.739-743|Baibuz, E., Vigonski, S., Lahtinen, J., Zhao, J., Jansson, V., Zadin, V. and Djurabekova, F., 2018. Data sets of migration barriers for atomistic Kinetic Monte Carlo simulations of Cu self-diffusion via first nearest neighbour atomic jumps. Data in Brief, 17, pp.739-743]]&lt;br /&gt;
# Zadin, V., Veske, M., Vigonski, S., Jansson, V., Muszynski, J., Parviainen, S., Aabloo, A. and Djurabekova, F., 2018. Simulations of surface stress effects in nanoscale single crystals. Modelling and Simulation in Materials Science and Engineering.&lt;br /&gt;
# Metspalu, T., Jansson, V., Zadin, V., Avchaciov, K., Nordlund, K., Aabloo, A. and Djurabekova, F., 2018. Cu self-sputtering MD simulations for 0.1–5 keV ions at elevated temperatures. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 415, pp.31-40.&lt;br /&gt;
# Vigonski, S., Jansson, V., Vlassov, S., Polyakov, B., Baibuz, E., Oras, S., Aabloo, A., Djurabekova, F. and Zadin, V., 2017. Au nanowire junction breakup through surface atom diffusion. Nanotechnology, 29(1), p.015704.&lt;br /&gt;
#Kyritsakis, A., Veske, M., Eimre, K., Zadin, V. and Djurabekova, F., 2017. Thermal runaway and evaporation of metal nano-tips during intense electron emission. arXiv preprint arXiv:1710.00050.&lt;br /&gt;
#Priimägi, P., Kasemägi, H., Aabloo, A., Brandell, D. and Zadin, V., 2017. Thermal Simulations of Polymer Electrolyte 3D Li-Microbatteries. Electrochimica Acta, 244, pp.129-138.&lt;br /&gt;
#Baibuz, E., Vigonski, S., Lahtinen, J., Zhao, J., Jansson, V., Zadin, V. and Djurabekova, F., 2017. Migration barriers for surface diffusion on a rigid lattice: challenges and solutions. arXiv preprint arXiv:1707.05765.&lt;br /&gt;
#Veske, M., Kyritsakis, A., Eimre, K., Zadin, V., Aabloo, A. and Djurabekova, F., 2017. Dynamic coupling of a finite element solver to large-scale atomistic simulations. arXiv preprint arXiv:1706.09661.&lt;br /&gt;
#Yanagisawa, H., Zadin, V., Kunze, K., Hafner, C., Aabloo, A., Kim, D.E., Kling, M.F., Djurabekova, F., Osterwalder, J. and Wuensch, W., 2016. Laser-induced asymmetric faceting and growth of a nano-protrusion on a tungsten tip. APL Photonics, 1(9), p.091305.&lt;br /&gt;
#Mets, M., Antsov, M., Zadin, V., Dorogin, L.M., Aabloo, A., Polyakov, B., Lõhmus, R. and Vlassov, S., 2016. Structural factor in bending testing of fivefold twinned nanowires revealed by finite element analysis. Physica Scripta, 91(11), p.115701.&lt;br /&gt;
#CLIC, T., Boland, M.J., Felzmann, U., Giansiracusa, P.J., Lucas, T.G., Rassool, R.P., Balazs, C., Charles, T.K., Afanaciev, K., Emeliantchik, I. and Ignatenko, A., 2016. Updated baseline for a staged Compact Linear Collider. arXiv preprint arXiv:1608.07537.&lt;br /&gt;
#Priimägi, P., Brandell, D., Srivastav, S., Aabloo, A., Kasemägi, H. and Zadin, V., 2016. Optimizing the design of 3D-pillar microbatteries using finite element modelling. Electrochimica Acta, 209, pp.138-148.&lt;br /&gt;
#Veske, M., Kyritsakis, A., Djurabekova, F., Aare, R., Eimre, K. and Zadin, V., 2016, July. Atomistic modeling of metal surfaces under high electric fields: Direct coupling of electric fields to the atomistic simulations. In Vacuum Nanoelectronics Conference (IVNC), 2016 29th International (pp. 1-2). IEEE.&lt;br /&gt;
#Veske, M., Parviainen, S., Zadin, V., Aabloo, A. and Djurabekova, F., 2016. Electrodynamics—molecular dynamics simulations of the stability of Cu nanotips under high electric field. Journal of Physics D: Applied Physics, 49(21), p.215301.&lt;br /&gt;
#Vigonski, S., Veske, M., Aabloo, A., Djurabekova, F. and Zadin, V., 2015. Verification of a multiscale surface stress model near voids in copper under the load induced by external high electric field. Applied Mathematics and Computation, 267, pp.476-486.&lt;br /&gt;
#Zadin, V., Kasemägi, H., Valdna, V., Vigonski, S., Veske, M. and Aabloo, A., 2015. Application of multiphysics and multiscale simulations to optimize industrial wood drying kilns. Applied Mathematics and Computation, 267, pp.465-475.&lt;br /&gt;
#Eimre, K., Parviainen, S., Aabloo, A., Djurabekova, F. and Zadin, V., 2015. Application of the general thermal field model to simulate the behaviour of nanoscale Cu field emitters. Journal of Applied Physics, 118(3), p.033303.&lt;br /&gt;
#Vigonski, S., Djurabekova, F., Veske, M., Aabloo, A. and Zadin, V., 2015. Molecular dynamics simulations of near-surface Fe precipitates in Cu under high electric fields. Modelling and Simulation in Materials Science and Engineering, 23(2), p.025009.&lt;br /&gt;
#Zadin, V., Krasheninnikov, A.V., Djurabekova, F. and Nordlund, K., 2015. Simulations of electromechanical shape transformations of Au nanoparticles. physica status solidi (b), 252(1), pp.144-148.&lt;br /&gt;
#Zadin, V., Pohjonen, A., Aabloo, A., Nordlund, K. and Djurabekova, F., 2014. Electrostatic-elastoplastic simulations of copper surface under high electric fields. Physical Review Special Topics-Accelerators and Beams, 17(10), p.103501.&lt;br /&gt;
#Zadin, V., Brandell, D., Kasemägi, H., Lellep, J. and Aabloo, A., 2013. Designing the 3D-microbattery geometry using the level-set method. Journal of Power Sources, 244, pp.417-428.&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
==Defended theses==&lt;br /&gt;
&lt;br /&gt;
=== Masters Theses ===&lt;br /&gt;
* Kristjan Eimre&lt;br /&gt;
* Kristian Kuppart&lt;br /&gt;
* Robert Aare&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
=== Bachelor's theses ===&lt;br /&gt;
&lt;br /&gt;
* [[Kristjan Eimre - title]]&lt;br /&gt;
* [[Kristian Kuppart - title]]&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;/div&gt;</summary>
		<author><name>Vahur</name></author>
	</entry>
	<entry>
		<id>https://ims.ut.ee/index.php?title=Computational_Materials&amp;diff=21380</id>
		<title>Computational Materials</title>
		<link rel="alternate" type="text/html" href="https://ims.ut.ee/index.php?title=Computational_Materials&amp;diff=21380"/>
		<updated>2019-11-20T12:15:48Z</updated>

		<summary type="html">&lt;p&gt;Vahur: /* Image gallery */&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;== Our vision, goal and what we do ==&lt;br /&gt;
&lt;br /&gt;
[[File:multiscale.png|200px|thumb|right| Simulations heat transfer and mechanical stress of FCC metal in multiscale framework.]]&lt;br /&gt;
&lt;br /&gt;
Computer simulations are some of the most fascinating tools made available due to the development of modern computational technology. Simulations in physics, chemistry, materials science, engineering etc. allow us to obtain detailed information of the phenomena of interest and provide often complete 3D and time dependent information of quantities like electromagnetic fields, temperature, forces and mechanical stresses, deformations. Such information leads to deep insights and understanding of nature around us, opening ways to understand complex physical and chemical processes and to the development of novel technologies and applications.&lt;br /&gt;
&lt;br /&gt;
The simulation activities conducted in the lab involve all levels from atomistic to macroscopic (DFT -&amp;gt; Molecular Dynamics -&amp;gt; Monter Carlo -&amp;gt; Finite Elements), including combinations of these methods i.e. multi scale simulations. The core capacity involves both, computational studies of materials and development of new methodology. &lt;br /&gt;
&lt;br /&gt;
Some examples of applications:&lt;br /&gt;
&lt;br /&gt;
* Mechanics&lt;br /&gt;
* CFD (turbulent &amp;amp; laminar)  &lt;br /&gt;
* Heat transport&lt;br /&gt;
* Electric and magnetic fields&lt;br /&gt;
* Chemical reactions&lt;br /&gt;
* Acoustics&lt;br /&gt;
* Multiphysics combinations of these phenomena!&lt;br /&gt;
&lt;br /&gt;
=== Image gallery ===&lt;br /&gt;
&lt;br /&gt;
&amp;lt;gallery mode=&amp;quot;packed-hover&amp;quot;&amp;gt;&lt;br /&gt;
file:multiscale.png|''Multiscaling with FEM in nano-contact''&lt;br /&gt;
file:strainsfinal_facebook.jpg|&amp;quot;Shear strain field around nanovoid in MD and FEM&amp;quot;&lt;br /&gt;
file:tension2.gif|&amp;quot;Animation of stress and deformation in Cu during tensile testing&amp;quot;&lt;br /&gt;
file:Foam Graphical abstract.png&amp;quot;Ionic transport in 3D microbattery.&amp;quot;&lt;br /&gt;
&amp;lt;/gallery&amp;gt;&lt;br /&gt;
&lt;br /&gt;
=== Tools we use ===&lt;br /&gt;
* Comsol Multiphysics  [https://www.comsol.com/]&lt;br /&gt;
* LAMMPS [http://lammps.sandia.gov/]&lt;br /&gt;
* DEAL.II open source finite element library [http://dealii.org/]&lt;br /&gt;
* OpenFOAM CFD [https://www.openfoam.com/]&lt;br /&gt;
* FEMOCS (https://github.com/veskem/femocs)&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
== Research Projects ==&lt;br /&gt;
=== Ongoing Activities ===&lt;br /&gt;
* [[PUT 1372 - Mechanisms of vacuum arching in high electric field systems]]&lt;br /&gt;
&lt;br /&gt;
=== Ongoing PhD Projects ===&lt;br /&gt;
* [[Computer assisted design and development of tailored nanostructures]]&lt;br /&gt;
&lt;br /&gt;
=== Glory and Success ===&lt;br /&gt;
* [https://novaator.err.ee/944778/mis-suunas-areneb-nanotehnoloogia Novaator - mis suunas areneb nanotehnoloogia]&lt;br /&gt;
* [http://bonnier2b.ee/trykised/innovatiiv_2017.pdf Arvutisimulatsioonid ja nende rakendused disainis]&lt;br /&gt;
* [https://www.uttv.ee/naita?id=26381 Tartu Ülikooli demopäev - Arvutisimulatsioonid tootearenduses]&lt;br /&gt;
* [[PUT 57 - Multiscale simulations of dislocation generation in rf electric fields in the linear accelerator design (01.01.2013 - 31.12.2016)]]&lt;br /&gt;
* [[ETF 9216 - Development and optimization of 3D-microbatteries (01.01.2012-31.21.2015)]]&lt;br /&gt;
&lt;br /&gt;
=== Student projects  ===&lt;br /&gt;
* [[Materjalidefektide simuleerimine kõrgetes elektriväljades]]&lt;br /&gt;
* [[Järgmise generatsiooni bioreaktorid]]&lt;br /&gt;
* [[Ehitiste konstruktsioonielementide multiskaala mudelite arendamine]]&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
== Members ==&lt;br /&gt;
&lt;br /&gt;
{{Team|&lt;br /&gt;
{{TeamMember|Vahur|Vahur Zadin|senior researcher (finite element modelling, molecular dynamics, high electric fields, CERN))}}&lt;br /&gt;
{{TeamMember|Tarmo|Tarmo Tamm|seniour researcher}}&lt;br /&gt;
{{TeamMember|Heiki|Heiki Kasemägi|senior researcher (ion-conducting polymer, computer simulations) &amp;amp; Computer engineering study programme manager}}&lt;br /&gt;
{{TeamMember|Alvo|Alvo Aabloo| professor, head of the IMS lab}}&lt;br /&gt;
{{TeamMember|Kristiankuppart|Kristian Kuppart|PhD student (MD in high electric fields)}}&lt;br /&gt;
{{TeamMember|Faiza|Faiza Summer|PhD student (Flow-capacitor)}}&lt;br /&gt;
{{TeamMember|Ats.aasmaa|Ats Aasmaa|student (modelling of microbatteries)}}&lt;br /&gt;
{{TeamMember|Mihkel.Veske|Mihkel Veske|in Helsinki University}}&lt;br /&gt;
{{TeamMember|ye.wang|Ye Wang|PhD student (Design and development of tailored nanostructures)}}&lt;br /&gt;
}}&lt;br /&gt;
&lt;br /&gt;
=== Friends and collaborators ===&lt;br /&gt;
&lt;br /&gt;
* Flyura Djurabekova (Helsinki University)&lt;br /&gt;
* Ville Jansson (Helsinki University)&lt;br /&gt;
* Walter Wuench (CERN)&lt;br /&gt;
* Daniel Brandell (Uppsala University)&lt;br /&gt;
* Sergei Vlassov (UT, Institute of Physics)&lt;br /&gt;
&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
==Publications==&lt;br /&gt;
(All references in Harvard style from Google Scholar)&lt;br /&gt;
&lt;br /&gt;
# [[Data sets of migration barriers for atomistic Kinetic Monte Carlo simulations of Cu self-diffusion via first nearest neighbour atomic jumps. Data in Brief, 17, pp.739-743|Baibuz, E., Vigonski, S., Lahtinen, J., Zhao, J., Jansson, V., Zadin, V. and Djurabekova, F., 2018. Data sets of migration barriers for atomistic Kinetic Monte Carlo simulations of Cu self-diffusion via first nearest neighbour atomic jumps. Data in Brief, 17, pp.739-743]]&lt;br /&gt;
# Zadin, V., Veske, M., Vigonski, S., Jansson, V., Muszynski, J., Parviainen, S., Aabloo, A. and Djurabekova, F., 2018. Simulations of surface stress effects in nanoscale single crystals. Modelling and Simulation in Materials Science and Engineering.&lt;br /&gt;
# Metspalu, T., Jansson, V., Zadin, V., Avchaciov, K., Nordlund, K., Aabloo, A. and Djurabekova, F., 2018. Cu self-sputtering MD simulations for 0.1–5 keV ions at elevated temperatures. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 415, pp.31-40.&lt;br /&gt;
# Vigonski, S., Jansson, V., Vlassov, S., Polyakov, B., Baibuz, E., Oras, S., Aabloo, A., Djurabekova, F. and Zadin, V., 2017. Au nanowire junction breakup through surface atom diffusion. Nanotechnology, 29(1), p.015704.&lt;br /&gt;
#Kyritsakis, A., Veske, M., Eimre, K., Zadin, V. and Djurabekova, F., 2017. Thermal runaway and evaporation of metal nano-tips during intense electron emission. arXiv preprint arXiv:1710.00050.&lt;br /&gt;
#Priimägi, P., Kasemägi, H., Aabloo, A., Brandell, D. and Zadin, V., 2017. Thermal Simulations of Polymer Electrolyte 3D Li-Microbatteries. Electrochimica Acta, 244, pp.129-138.&lt;br /&gt;
#Baibuz, E., Vigonski, S., Lahtinen, J., Zhao, J., Jansson, V., Zadin, V. and Djurabekova, F., 2017. Migration barriers for surface diffusion on a rigid lattice: challenges and solutions. arXiv preprint arXiv:1707.05765.&lt;br /&gt;
#Veske, M., Kyritsakis, A., Eimre, K., Zadin, V., Aabloo, A. and Djurabekova, F., 2017. Dynamic coupling of a finite element solver to large-scale atomistic simulations. arXiv preprint arXiv:1706.09661.&lt;br /&gt;
#Yanagisawa, H., Zadin, V., Kunze, K., Hafner, C., Aabloo, A., Kim, D.E., Kling, M.F., Djurabekova, F., Osterwalder, J. and Wuensch, W., 2016. Laser-induced asymmetric faceting and growth of a nano-protrusion on a tungsten tip. APL Photonics, 1(9), p.091305.&lt;br /&gt;
#Mets, M., Antsov, M., Zadin, V., Dorogin, L.M., Aabloo, A., Polyakov, B., Lõhmus, R. and Vlassov, S., 2016. Structural factor in bending testing of fivefold twinned nanowires revealed by finite element analysis. Physica Scripta, 91(11), p.115701.&lt;br /&gt;
#CLIC, T., Boland, M.J., Felzmann, U., Giansiracusa, P.J., Lucas, T.G., Rassool, R.P., Balazs, C., Charles, T.K., Afanaciev, K., Emeliantchik, I. and Ignatenko, A., 2016. Updated baseline for a staged Compact Linear Collider. arXiv preprint arXiv:1608.07537.&lt;br /&gt;
#Priimägi, P., Brandell, D., Srivastav, S., Aabloo, A., Kasemägi, H. and Zadin, V., 2016. Optimizing the design of 3D-pillar microbatteries using finite element modelling. Electrochimica Acta, 209, pp.138-148.&lt;br /&gt;
#Veske, M., Kyritsakis, A., Djurabekova, F., Aare, R., Eimre, K. and Zadin, V., 2016, July. Atomistic modeling of metal surfaces under high electric fields: Direct coupling of electric fields to the atomistic simulations. In Vacuum Nanoelectronics Conference (IVNC), 2016 29th International (pp. 1-2). IEEE.&lt;br /&gt;
#Veske, M., Parviainen, S., Zadin, V., Aabloo, A. and Djurabekova, F., 2016. Electrodynamics—molecular dynamics simulations of the stability of Cu nanotips under high electric field. Journal of Physics D: Applied Physics, 49(21), p.215301.&lt;br /&gt;
#Vigonski, S., Veske, M., Aabloo, A., Djurabekova, F. and Zadin, V., 2015. Verification of a multiscale surface stress model near voids in copper under the load induced by external high electric field. Applied Mathematics and Computation, 267, pp.476-486.&lt;br /&gt;
#Zadin, V., Kasemägi, H., Valdna, V., Vigonski, S., Veske, M. and Aabloo, A., 2015. Application of multiphysics and multiscale simulations to optimize industrial wood drying kilns. Applied Mathematics and Computation, 267, pp.465-475.&lt;br /&gt;
#Eimre, K., Parviainen, S., Aabloo, A., Djurabekova, F. and Zadin, V., 2015. Application of the general thermal field model to simulate the behaviour of nanoscale Cu field emitters. Journal of Applied Physics, 118(3), p.033303.&lt;br /&gt;
#Vigonski, S., Djurabekova, F., Veske, M., Aabloo, A. and Zadin, V., 2015. Molecular dynamics simulations of near-surface Fe precipitates in Cu under high electric fields. Modelling and Simulation in Materials Science and Engineering, 23(2), p.025009.&lt;br /&gt;
#Zadin, V., Krasheninnikov, A.V., Djurabekova, F. and Nordlund, K., 2015. Simulations of electromechanical shape transformations of Au nanoparticles. physica status solidi (b), 252(1), pp.144-148.&lt;br /&gt;
#Zadin, V., Pohjonen, A., Aabloo, A., Nordlund, K. and Djurabekova, F., 2014. Electrostatic-elastoplastic simulations of copper surface under high electric fields. Physical Review Special Topics-Accelerators and Beams, 17(10), p.103501.&lt;br /&gt;
#Zadin, V., Brandell, D., Kasemägi, H., Lellep, J. and Aabloo, A., 2013. Designing the 3D-microbattery geometry using the level-set method. Journal of Power Sources, 244, pp.417-428.&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
==Defended theses==&lt;br /&gt;
&lt;br /&gt;
=== Masters Theses ===&lt;br /&gt;
* Kristjan Eimre&lt;br /&gt;
* Kristian Kuppart&lt;br /&gt;
* Robert Aare&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
=== Bachelor's theses ===&lt;br /&gt;
&lt;br /&gt;
* [[Kristjan Eimre - title]]&lt;br /&gt;
* [[Kristian Kuppart - title]]&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;/div&gt;</summary>
		<author><name>Vahur</name></author>
	</entry>
	<entry>
		<id>https://ims.ut.ee/index.php?title=File:Foam_Graphical_abstract_png.png&amp;diff=21379</id>
		<title>File:Foam Graphical abstract png.png</title>
		<link rel="alternate" type="text/html" href="https://ims.ut.ee/index.php?title=File:Foam_Graphical_abstract_png.png&amp;diff=21379"/>
		<updated>2019-11-20T12:14:30Z</updated>

		<summary type="html">&lt;p&gt;Vahur: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;Ionic transport mechanisms&lt;/div&gt;</summary>
		<author><name>Vahur</name></author>
	</entry>
	<entry>
		<id>https://ims.ut.ee/index.php?title=Computational_Materials&amp;diff=21378</id>
		<title>Computational Materials</title>
		<link rel="alternate" type="text/html" href="https://ims.ut.ee/index.php?title=Computational_Materials&amp;diff=21378"/>
		<updated>2019-11-20T12:04:42Z</updated>

		<summary type="html">&lt;p&gt;Vahur: /* Glory and Success */&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;== Our vision, goal and what we do ==&lt;br /&gt;
&lt;br /&gt;
[[File:multiscale.png|200px|thumb|right| Simulations heat transfer and mechanical stress of FCC metal in multiscale framework.]]&lt;br /&gt;
&lt;br /&gt;
Computer simulations are some of the most fascinating tools made available due to the development of modern computational technology. Simulations in physics, chemistry, materials science, engineering etc. allow us to obtain detailed information of the phenomena of interest and provide often complete 3D and time dependent information of quantities like electromagnetic fields, temperature, forces and mechanical stresses, deformations. Such information leads to deep insights and understanding of nature around us, opening ways to understand complex physical and chemical processes and to the development of novel technologies and applications.&lt;br /&gt;
&lt;br /&gt;
The simulation activities conducted in the lab involve all levels from atomistic to macroscopic (DFT -&amp;gt; Molecular Dynamics -&amp;gt; Monter Carlo -&amp;gt; Finite Elements), including combinations of these methods i.e. multi scale simulations. The core capacity involves both, computational studies of materials and development of new methodology. &lt;br /&gt;
&lt;br /&gt;
Some examples of applications:&lt;br /&gt;
&lt;br /&gt;
* Mechanics&lt;br /&gt;
* CFD (turbulent &amp;amp; laminar)  &lt;br /&gt;
* Heat transport&lt;br /&gt;
* Electric and magnetic fields&lt;br /&gt;
* Chemical reactions&lt;br /&gt;
* Acoustics&lt;br /&gt;
* Multiphysics combinations of these phenomena!&lt;br /&gt;
&lt;br /&gt;
=== Image gallery ===&lt;br /&gt;
&lt;br /&gt;
&amp;lt;gallery mode=&amp;quot;packed-hover&amp;quot;&amp;gt;&lt;br /&gt;
file:multiscale.png|''Multiscaling with FEM in nano-contact''&lt;br /&gt;
file:strainsfinal_facebook.jpg|&amp;quot;Shear strain field around nanovoid in MD and FEM&amp;quot;&lt;br /&gt;
file:tension2.gif|&amp;quot;Animation of stress and deformation in Cu during tensile testing&amp;quot;&lt;br /&gt;
File:Foam Graphical abstract.tiff|&amp;quot;Ionic transport in 3D microbattery&amp;quot;&lt;br /&gt;
&amp;lt;/gallery&amp;gt;&lt;br /&gt;
&lt;br /&gt;
=== Tools we use ===&lt;br /&gt;
* Comsol Multiphysics  [https://www.comsol.com/]&lt;br /&gt;
* LAMMPS [http://lammps.sandia.gov/]&lt;br /&gt;
* DEAL.II open source finite element library [http://dealii.org/]&lt;br /&gt;
* OpenFOAM CFD [https://www.openfoam.com/]&lt;br /&gt;
* FEMOCS (https://github.com/veskem/femocs)&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
== Research Projects ==&lt;br /&gt;
=== Ongoing Activities ===&lt;br /&gt;
* [[PUT 1372 - Mechanisms of vacuum arching in high electric field systems]]&lt;br /&gt;
&lt;br /&gt;
=== Ongoing PhD Projects ===&lt;br /&gt;
* [[Computer assisted design and development of tailored nanostructures]]&lt;br /&gt;
&lt;br /&gt;
=== Glory and Success ===&lt;br /&gt;
* [https://novaator.err.ee/944778/mis-suunas-areneb-nanotehnoloogia Novaator - mis suunas areneb nanotehnoloogia]&lt;br /&gt;
* [http://bonnier2b.ee/trykised/innovatiiv_2017.pdf Arvutisimulatsioonid ja nende rakendused disainis]&lt;br /&gt;
* [https://www.uttv.ee/naita?id=26381 Tartu Ülikooli demopäev - Arvutisimulatsioonid tootearenduses]&lt;br /&gt;
* [[PUT 57 - Multiscale simulations of dislocation generation in rf electric fields in the linear accelerator design (01.01.2013 - 31.12.2016)]]&lt;br /&gt;
* [[ETF 9216 - Development and optimization of 3D-microbatteries (01.01.2012-31.21.2015)]]&lt;br /&gt;
&lt;br /&gt;
=== Student projects  ===&lt;br /&gt;
* [[Materjalidefektide simuleerimine kõrgetes elektriväljades]]&lt;br /&gt;
* [[Järgmise generatsiooni bioreaktorid]]&lt;br /&gt;
* [[Ehitiste konstruktsioonielementide multiskaala mudelite arendamine]]&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
== Members ==&lt;br /&gt;
&lt;br /&gt;
{{Team|&lt;br /&gt;
{{TeamMember|Vahur|Vahur Zadin|senior researcher (finite element modelling, molecular dynamics, high electric fields, CERN))}}&lt;br /&gt;
{{TeamMember|Tarmo|Tarmo Tamm|seniour researcher}}&lt;br /&gt;
{{TeamMember|Heiki|Heiki Kasemägi|senior researcher (ion-conducting polymer, computer simulations) &amp;amp; Computer engineering study programme manager}}&lt;br /&gt;
{{TeamMember|Alvo|Alvo Aabloo| professor, head of the IMS lab}}&lt;br /&gt;
{{TeamMember|Kristiankuppart|Kristian Kuppart|PhD student (MD in high electric fields)}}&lt;br /&gt;
{{TeamMember|Faiza|Faiza Summer|PhD student (Flow-capacitor)}}&lt;br /&gt;
{{TeamMember|Ats.aasmaa|Ats Aasmaa|student (modelling of microbatteries)}}&lt;br /&gt;
{{TeamMember|Mihkel.Veske|Mihkel Veske|in Helsinki University}}&lt;br /&gt;
{{TeamMember|ye.wang|Ye Wang|PhD student (Design and development of tailored nanostructures)}}&lt;br /&gt;
}}&lt;br /&gt;
&lt;br /&gt;
=== Friends and collaborators ===&lt;br /&gt;
&lt;br /&gt;
* Flyura Djurabekova (Helsinki University)&lt;br /&gt;
* Ville Jansson (Helsinki University)&lt;br /&gt;
* Walter Wuench (CERN)&lt;br /&gt;
* Daniel Brandell (Uppsala University)&lt;br /&gt;
* Sergei Vlassov (UT, Institute of Physics)&lt;br /&gt;
&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
==Publications==&lt;br /&gt;
(All references in Harvard style from Google Scholar)&lt;br /&gt;
&lt;br /&gt;
# [[Data sets of migration barriers for atomistic Kinetic Monte Carlo simulations of Cu self-diffusion via first nearest neighbour atomic jumps. Data in Brief, 17, pp.739-743|Baibuz, E., Vigonski, S., Lahtinen, J., Zhao, J., Jansson, V., Zadin, V. and Djurabekova, F., 2018. Data sets of migration barriers for atomistic Kinetic Monte Carlo simulations of Cu self-diffusion via first nearest neighbour atomic jumps. Data in Brief, 17, pp.739-743]]&lt;br /&gt;
# Zadin, V., Veske, M., Vigonski, S., Jansson, V., Muszynski, J., Parviainen, S., Aabloo, A. and Djurabekova, F., 2018. Simulations of surface stress effects in nanoscale single crystals. Modelling and Simulation in Materials Science and Engineering.&lt;br /&gt;
# Metspalu, T., Jansson, V., Zadin, V., Avchaciov, K., Nordlund, K., Aabloo, A. and Djurabekova, F., 2018. Cu self-sputtering MD simulations for 0.1–5 keV ions at elevated temperatures. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 415, pp.31-40.&lt;br /&gt;
# Vigonski, S., Jansson, V., Vlassov, S., Polyakov, B., Baibuz, E., Oras, S., Aabloo, A., Djurabekova, F. and Zadin, V., 2017. Au nanowire junction breakup through surface atom diffusion. Nanotechnology, 29(1), p.015704.&lt;br /&gt;
#Kyritsakis, A., Veske, M., Eimre, K., Zadin, V. and Djurabekova, F., 2017. Thermal runaway and evaporation of metal nano-tips during intense electron emission. arXiv preprint arXiv:1710.00050.&lt;br /&gt;
#Priimägi, P., Kasemägi, H., Aabloo, A., Brandell, D. and Zadin, V., 2017. Thermal Simulations of Polymer Electrolyte 3D Li-Microbatteries. Electrochimica Acta, 244, pp.129-138.&lt;br /&gt;
#Baibuz, E., Vigonski, S., Lahtinen, J., Zhao, J., Jansson, V., Zadin, V. and Djurabekova, F., 2017. Migration barriers for surface diffusion on a rigid lattice: challenges and solutions. arXiv preprint arXiv:1707.05765.&lt;br /&gt;
#Veske, M., Kyritsakis, A., Eimre, K., Zadin, V., Aabloo, A. and Djurabekova, F., 2017. Dynamic coupling of a finite element solver to large-scale atomistic simulations. arXiv preprint arXiv:1706.09661.&lt;br /&gt;
#Yanagisawa, H., Zadin, V., Kunze, K., Hafner, C., Aabloo, A., Kim, D.E., Kling, M.F., Djurabekova, F., Osterwalder, J. and Wuensch, W., 2016. Laser-induced asymmetric faceting and growth of a nano-protrusion on a tungsten tip. APL Photonics, 1(9), p.091305.&lt;br /&gt;
#Mets, M., Antsov, M., Zadin, V., Dorogin, L.M., Aabloo, A., Polyakov, B., Lõhmus, R. and Vlassov, S., 2016. Structural factor in bending testing of fivefold twinned nanowires revealed by finite element analysis. Physica Scripta, 91(11), p.115701.&lt;br /&gt;
#CLIC, T., Boland, M.J., Felzmann, U., Giansiracusa, P.J., Lucas, T.G., Rassool, R.P., Balazs, C., Charles, T.K., Afanaciev, K., Emeliantchik, I. and Ignatenko, A., 2016. Updated baseline for a staged Compact Linear Collider. arXiv preprint arXiv:1608.07537.&lt;br /&gt;
#Priimägi, P., Brandell, D., Srivastav, S., Aabloo, A., Kasemägi, H. and Zadin, V., 2016. Optimizing the design of 3D-pillar microbatteries using finite element modelling. Electrochimica Acta, 209, pp.138-148.&lt;br /&gt;
#Veske, M., Kyritsakis, A., Djurabekova, F., Aare, R., Eimre, K. and Zadin, V., 2016, July. Atomistic modeling of metal surfaces under high electric fields: Direct coupling of electric fields to the atomistic simulations. In Vacuum Nanoelectronics Conference (IVNC), 2016 29th International (pp. 1-2). IEEE.&lt;br /&gt;
#Veske, M., Parviainen, S., Zadin, V., Aabloo, A. and Djurabekova, F., 2016. Electrodynamics—molecular dynamics simulations of the stability of Cu nanotips under high electric field. Journal of Physics D: Applied Physics, 49(21), p.215301.&lt;br /&gt;
#Vigonski, S., Veske, M., Aabloo, A., Djurabekova, F. and Zadin, V., 2015. Verification of a multiscale surface stress model near voids in copper under the load induced by external high electric field. Applied Mathematics and Computation, 267, pp.476-486.&lt;br /&gt;
#Zadin, V., Kasemägi, H., Valdna, V., Vigonski, S., Veske, M. and Aabloo, A., 2015. Application of multiphysics and multiscale simulations to optimize industrial wood drying kilns. Applied Mathematics and Computation, 267, pp.465-475.&lt;br /&gt;
#Eimre, K., Parviainen, S., Aabloo, A., Djurabekova, F. and Zadin, V., 2015. Application of the general thermal field model to simulate the behaviour of nanoscale Cu field emitters. Journal of Applied Physics, 118(3), p.033303.&lt;br /&gt;
#Vigonski, S., Djurabekova, F., Veske, M., Aabloo, A. and Zadin, V., 2015. Molecular dynamics simulations of near-surface Fe precipitates in Cu under high electric fields. Modelling and Simulation in Materials Science and Engineering, 23(2), p.025009.&lt;br /&gt;
#Zadin, V., Krasheninnikov, A.V., Djurabekova, F. and Nordlund, K., 2015. Simulations of electromechanical shape transformations of Au nanoparticles. physica status solidi (b), 252(1), pp.144-148.&lt;br /&gt;
#Zadin, V., Pohjonen, A., Aabloo, A., Nordlund, K. and Djurabekova, F., 2014. Electrostatic-elastoplastic simulations of copper surface under high electric fields. Physical Review Special Topics-Accelerators and Beams, 17(10), p.103501.&lt;br /&gt;
#Zadin, V., Brandell, D., Kasemägi, H., Lellep, J. and Aabloo, A., 2013. Designing the 3D-microbattery geometry using the level-set method. Journal of Power Sources, 244, pp.417-428.&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
==Defended theses==&lt;br /&gt;
&lt;br /&gt;
=== Masters Theses ===&lt;br /&gt;
* Kristjan Eimre&lt;br /&gt;
* Kristian Kuppart&lt;br /&gt;
* Robert Aare&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
=== Bachelor's theses ===&lt;br /&gt;
&lt;br /&gt;
* [[Kristjan Eimre - title]]&lt;br /&gt;
* [[Kristian Kuppart - title]]&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;/div&gt;</summary>
		<author><name>Vahur</name></author>
	</entry>
	<entry>
		<id>https://ims.ut.ee/index.php?title=Computational_Materials&amp;diff=21377</id>
		<title>Computational Materials</title>
		<link rel="alternate" type="text/html" href="https://ims.ut.ee/index.php?title=Computational_Materials&amp;diff=21377"/>
		<updated>2019-11-20T12:04:24Z</updated>

		<summary type="html">&lt;p&gt;Vahur: /* Glory and Success */&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;== Our vision, goal and what we do ==&lt;br /&gt;
&lt;br /&gt;
[[File:multiscale.png|200px|thumb|right| Simulations heat transfer and mechanical stress of FCC metal in multiscale framework.]]&lt;br /&gt;
&lt;br /&gt;
Computer simulations are some of the most fascinating tools made available due to the development of modern computational technology. Simulations in physics, chemistry, materials science, engineering etc. allow us to obtain detailed information of the phenomena of interest and provide often complete 3D and time dependent information of quantities like electromagnetic fields, temperature, forces and mechanical stresses, deformations. Such information leads to deep insights and understanding of nature around us, opening ways to understand complex physical and chemical processes and to the development of novel technologies and applications.&lt;br /&gt;
&lt;br /&gt;
The simulation activities conducted in the lab involve all levels from atomistic to macroscopic (DFT -&amp;gt; Molecular Dynamics -&amp;gt; Monter Carlo -&amp;gt; Finite Elements), including combinations of these methods i.e. multi scale simulations. The core capacity involves both, computational studies of materials and development of new methodology. &lt;br /&gt;
&lt;br /&gt;
Some examples of applications:&lt;br /&gt;
&lt;br /&gt;
* Mechanics&lt;br /&gt;
* CFD (turbulent &amp;amp; laminar)  &lt;br /&gt;
* Heat transport&lt;br /&gt;
* Electric and magnetic fields&lt;br /&gt;
* Chemical reactions&lt;br /&gt;
* Acoustics&lt;br /&gt;
* Multiphysics combinations of these phenomena!&lt;br /&gt;
&lt;br /&gt;
=== Image gallery ===&lt;br /&gt;
&lt;br /&gt;
&amp;lt;gallery mode=&amp;quot;packed-hover&amp;quot;&amp;gt;&lt;br /&gt;
file:multiscale.png|''Multiscaling with FEM in nano-contact''&lt;br /&gt;
file:strainsfinal_facebook.jpg|&amp;quot;Shear strain field around nanovoid in MD and FEM&amp;quot;&lt;br /&gt;
file:tension2.gif|&amp;quot;Animation of stress and deformation in Cu during tensile testing&amp;quot;&lt;br /&gt;
File:Foam Graphical abstract.tiff|&amp;quot;Ionic transport in 3D microbattery&amp;quot;&lt;br /&gt;
&amp;lt;/gallery&amp;gt;&lt;br /&gt;
&lt;br /&gt;
=== Tools we use ===&lt;br /&gt;
* Comsol Multiphysics  [https://www.comsol.com/]&lt;br /&gt;
* LAMMPS [http://lammps.sandia.gov/]&lt;br /&gt;
* DEAL.II open source finite element library [http://dealii.org/]&lt;br /&gt;
* OpenFOAM CFD [https://www.openfoam.com/]&lt;br /&gt;
* FEMOCS (https://github.com/veskem/femocs)&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
== Research Projects ==&lt;br /&gt;
=== Ongoing Activities ===&lt;br /&gt;
* [[PUT 1372 - Mechanisms of vacuum arching in high electric field systems]]&lt;br /&gt;
&lt;br /&gt;
=== Ongoing PhD Projects ===&lt;br /&gt;
* [[Computer assisted design and development of tailored nanostructures]]&lt;br /&gt;
&lt;br /&gt;
=== Glory and Success ===&lt;br /&gt;
* [https://novaator.err.ee/944778/mis-suunas-areneb-nanotehnoloogia Novaator - mis suunas areneb nanotehnoloogia]&lt;br /&gt;
[http://bonnier2b.ee/trykised/innovatiiv_2017.pdf Arvutisimulatsioonid ja nende rakendused disainis]&lt;br /&gt;
* [https://www.uttv.ee/naita?id=26381 Tartu Ülikooli demopäev - Arvutisimulatsioonid tootearenduses]&lt;br /&gt;
* [[PUT 57 - Multiscale simulations of dislocation generation in rf electric fields in the linear accelerator design (01.01.2013 - 31.12.2016)]]&lt;br /&gt;
* [[ETF 9216 - Development and optimization of 3D-microbatteries (01.01.2012-31.21.2015)]]&lt;br /&gt;
&lt;br /&gt;
=== Student projects  ===&lt;br /&gt;
* [[Materjalidefektide simuleerimine kõrgetes elektriväljades]]&lt;br /&gt;
* [[Järgmise generatsiooni bioreaktorid]]&lt;br /&gt;
* [[Ehitiste konstruktsioonielementide multiskaala mudelite arendamine]]&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
== Members ==&lt;br /&gt;
&lt;br /&gt;
{{Team|&lt;br /&gt;
{{TeamMember|Vahur|Vahur Zadin|senior researcher (finite element modelling, molecular dynamics, high electric fields, CERN))}}&lt;br /&gt;
{{TeamMember|Tarmo|Tarmo Tamm|seniour researcher}}&lt;br /&gt;
{{TeamMember|Heiki|Heiki Kasemägi|senior researcher (ion-conducting polymer, computer simulations) &amp;amp; Computer engineering study programme manager}}&lt;br /&gt;
{{TeamMember|Alvo|Alvo Aabloo| professor, head of the IMS lab}}&lt;br /&gt;
{{TeamMember|Kristiankuppart|Kristian Kuppart|PhD student (MD in high electric fields)}}&lt;br /&gt;
{{TeamMember|Faiza|Faiza Summer|PhD student (Flow-capacitor)}}&lt;br /&gt;
{{TeamMember|Ats.aasmaa|Ats Aasmaa|student (modelling of microbatteries)}}&lt;br /&gt;
{{TeamMember|Mihkel.Veske|Mihkel Veske|in Helsinki University}}&lt;br /&gt;
{{TeamMember|ye.wang|Ye Wang|PhD student (Design and development of tailored nanostructures)}}&lt;br /&gt;
}}&lt;br /&gt;
&lt;br /&gt;
=== Friends and collaborators ===&lt;br /&gt;
&lt;br /&gt;
* Flyura Djurabekova (Helsinki University)&lt;br /&gt;
* Ville Jansson (Helsinki University)&lt;br /&gt;
* Walter Wuench (CERN)&lt;br /&gt;
* Daniel Brandell (Uppsala University)&lt;br /&gt;
* Sergei Vlassov (UT, Institute of Physics)&lt;br /&gt;
&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
==Publications==&lt;br /&gt;
(All references in Harvard style from Google Scholar)&lt;br /&gt;
&lt;br /&gt;
# [[Data sets of migration barriers for atomistic Kinetic Monte Carlo simulations of Cu self-diffusion via first nearest neighbour atomic jumps. Data in Brief, 17, pp.739-743|Baibuz, E., Vigonski, S., Lahtinen, J., Zhao, J., Jansson, V., Zadin, V. and Djurabekova, F., 2018. Data sets of migration barriers for atomistic Kinetic Monte Carlo simulations of Cu self-diffusion via first nearest neighbour atomic jumps. Data in Brief, 17, pp.739-743]]&lt;br /&gt;
# Zadin, V., Veske, M., Vigonski, S., Jansson, V., Muszynski, J., Parviainen, S., Aabloo, A. and Djurabekova, F., 2018. Simulations of surface stress effects in nanoscale single crystals. Modelling and Simulation in Materials Science and Engineering.&lt;br /&gt;
# Metspalu, T., Jansson, V., Zadin, V., Avchaciov, K., Nordlund, K., Aabloo, A. and Djurabekova, F., 2018. Cu self-sputtering MD simulations for 0.1–5 keV ions at elevated temperatures. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 415, pp.31-40.&lt;br /&gt;
# Vigonski, S., Jansson, V., Vlassov, S., Polyakov, B., Baibuz, E., Oras, S., Aabloo, A., Djurabekova, F. and Zadin, V., 2017. Au nanowire junction breakup through surface atom diffusion. Nanotechnology, 29(1), p.015704.&lt;br /&gt;
#Kyritsakis, A., Veske, M., Eimre, K., Zadin, V. and Djurabekova, F., 2017. Thermal runaway and evaporation of metal nano-tips during intense electron emission. arXiv preprint arXiv:1710.00050.&lt;br /&gt;
#Priimägi, P., Kasemägi, H., Aabloo, A., Brandell, D. and Zadin, V., 2017. Thermal Simulations of Polymer Electrolyte 3D Li-Microbatteries. Electrochimica Acta, 244, pp.129-138.&lt;br /&gt;
#Baibuz, E., Vigonski, S., Lahtinen, J., Zhao, J., Jansson, V., Zadin, V. and Djurabekova, F., 2017. Migration barriers for surface diffusion on a rigid lattice: challenges and solutions. arXiv preprint arXiv:1707.05765.&lt;br /&gt;
#Veske, M., Kyritsakis, A., Eimre, K., Zadin, V., Aabloo, A. and Djurabekova, F., 2017. Dynamic coupling of a finite element solver to large-scale atomistic simulations. arXiv preprint arXiv:1706.09661.&lt;br /&gt;
#Yanagisawa, H., Zadin, V., Kunze, K., Hafner, C., Aabloo, A., Kim, D.E., Kling, M.F., Djurabekova, F., Osterwalder, J. and Wuensch, W., 2016. Laser-induced asymmetric faceting and growth of a nano-protrusion on a tungsten tip. APL Photonics, 1(9), p.091305.&lt;br /&gt;
#Mets, M., Antsov, M., Zadin, V., Dorogin, L.M., Aabloo, A., Polyakov, B., Lõhmus, R. and Vlassov, S., 2016. Structural factor in bending testing of fivefold twinned nanowires revealed by finite element analysis. Physica Scripta, 91(11), p.115701.&lt;br /&gt;
#CLIC, T., Boland, M.J., Felzmann, U., Giansiracusa, P.J., Lucas, T.G., Rassool, R.P., Balazs, C., Charles, T.K., Afanaciev, K., Emeliantchik, I. and Ignatenko, A., 2016. Updated baseline for a staged Compact Linear Collider. arXiv preprint arXiv:1608.07537.&lt;br /&gt;
#Priimägi, P., Brandell, D., Srivastav, S., Aabloo, A., Kasemägi, H. and Zadin, V., 2016. Optimizing the design of 3D-pillar microbatteries using finite element modelling. Electrochimica Acta, 209, pp.138-148.&lt;br /&gt;
#Veske, M., Kyritsakis, A., Djurabekova, F., Aare, R., Eimre, K. and Zadin, V., 2016, July. Atomistic modeling of metal surfaces under high electric fields: Direct coupling of electric fields to the atomistic simulations. In Vacuum Nanoelectronics Conference (IVNC), 2016 29th International (pp. 1-2). IEEE.&lt;br /&gt;
#Veske, M., Parviainen, S., Zadin, V., Aabloo, A. and Djurabekova, F., 2016. Electrodynamics—molecular dynamics simulations of the stability of Cu nanotips under high electric field. Journal of Physics D: Applied Physics, 49(21), p.215301.&lt;br /&gt;
#Vigonski, S., Veske, M., Aabloo, A., Djurabekova, F. and Zadin, V., 2015. Verification of a multiscale surface stress model near voids in copper under the load induced by external high electric field. Applied Mathematics and Computation, 267, pp.476-486.&lt;br /&gt;
#Zadin, V., Kasemägi, H., Valdna, V., Vigonski, S., Veske, M. and Aabloo, A., 2015. Application of multiphysics and multiscale simulations to optimize industrial wood drying kilns. Applied Mathematics and Computation, 267, pp.465-475.&lt;br /&gt;
#Eimre, K., Parviainen, S., Aabloo, A., Djurabekova, F. and Zadin, V., 2015. Application of the general thermal field model to simulate the behaviour of nanoscale Cu field emitters. Journal of Applied Physics, 118(3), p.033303.&lt;br /&gt;
#Vigonski, S., Djurabekova, F., Veske, M., Aabloo, A. and Zadin, V., 2015. Molecular dynamics simulations of near-surface Fe precipitates in Cu under high electric fields. Modelling and Simulation in Materials Science and Engineering, 23(2), p.025009.&lt;br /&gt;
#Zadin, V., Krasheninnikov, A.V., Djurabekova, F. and Nordlund, K., 2015. Simulations of electromechanical shape transformations of Au nanoparticles. physica status solidi (b), 252(1), pp.144-148.&lt;br /&gt;
#Zadin, V., Pohjonen, A., Aabloo, A., Nordlund, K. and Djurabekova, F., 2014. Electrostatic-elastoplastic simulations of copper surface under high electric fields. Physical Review Special Topics-Accelerators and Beams, 17(10), p.103501.&lt;br /&gt;
#Zadin, V., Brandell, D., Kasemägi, H., Lellep, J. and Aabloo, A., 2013. Designing the 3D-microbattery geometry using the level-set method. Journal of Power Sources, 244, pp.417-428.&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
==Defended theses==&lt;br /&gt;
&lt;br /&gt;
=== Masters Theses ===&lt;br /&gt;
* Kristjan Eimre&lt;br /&gt;
* Kristian Kuppart&lt;br /&gt;
* Robert Aare&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
=== Bachelor's theses ===&lt;br /&gt;
&lt;br /&gt;
* [[Kristjan Eimre - title]]&lt;br /&gt;
* [[Kristian Kuppart - title]]&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;/div&gt;</summary>
		<author><name>Vahur</name></author>
	</entry>
	<entry>
		<id>https://ims.ut.ee/index.php?title=Computational_Materials&amp;diff=21376</id>
		<title>Computational Materials</title>
		<link rel="alternate" type="text/html" href="https://ims.ut.ee/index.php?title=Computational_Materials&amp;diff=21376"/>
		<updated>2019-11-20T11:47:05Z</updated>

		<summary type="html">&lt;p&gt;Vahur: /* Glory and Success */&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;== Our vision, goal and what we do ==&lt;br /&gt;
&lt;br /&gt;
[[File:multiscale.png|200px|thumb|right| Simulations heat transfer and mechanical stress of FCC metal in multiscale framework.]]&lt;br /&gt;
&lt;br /&gt;
Computer simulations are some of the most fascinating tools made available due to the development of modern computational technology. Simulations in physics, chemistry, materials science, engineering etc. allow us to obtain detailed information of the phenomena of interest and provide often complete 3D and time dependent information of quantities like electromagnetic fields, temperature, forces and mechanical stresses, deformations. Such information leads to deep insights and understanding of nature around us, opening ways to understand complex physical and chemical processes and to the development of novel technologies and applications.&lt;br /&gt;
&lt;br /&gt;
The simulation activities conducted in the lab involve all levels from atomistic to macroscopic (DFT -&amp;gt; Molecular Dynamics -&amp;gt; Monter Carlo -&amp;gt; Finite Elements), including combinations of these methods i.e. multi scale simulations. The core capacity involves both, computational studies of materials and development of new methodology. &lt;br /&gt;
&lt;br /&gt;
Some examples of applications:&lt;br /&gt;
&lt;br /&gt;
* Mechanics&lt;br /&gt;
* CFD (turbulent &amp;amp; laminar)  &lt;br /&gt;
* Heat transport&lt;br /&gt;
* Electric and magnetic fields&lt;br /&gt;
* Chemical reactions&lt;br /&gt;
* Acoustics&lt;br /&gt;
* Multiphysics combinations of these phenomena!&lt;br /&gt;
&lt;br /&gt;
=== Image gallery ===&lt;br /&gt;
&lt;br /&gt;
&amp;lt;gallery mode=&amp;quot;packed-hover&amp;quot;&amp;gt;&lt;br /&gt;
file:multiscale.png|''Multiscaling with FEM in nano-contact''&lt;br /&gt;
file:strainsfinal_facebook.jpg|&amp;quot;Shear strain field around nanovoid in MD and FEM&amp;quot;&lt;br /&gt;
file:tension2.gif|&amp;quot;Animation of stress and deformation in Cu during tensile testing&amp;quot;&lt;br /&gt;
File:Foam Graphical abstract.tiff|&amp;quot;Ionic transport in 3D microbattery&amp;quot;&lt;br /&gt;
&amp;lt;/gallery&amp;gt;&lt;br /&gt;
&lt;br /&gt;
=== Tools we use ===&lt;br /&gt;
* Comsol Multiphysics  [https://www.comsol.com/]&lt;br /&gt;
* LAMMPS [http://lammps.sandia.gov/]&lt;br /&gt;
* DEAL.II open source finite element library [http://dealii.org/]&lt;br /&gt;
* OpenFOAM CFD [https://www.openfoam.com/]&lt;br /&gt;
* FEMOCS (https://github.com/veskem/femocs)&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
== Research Projects ==&lt;br /&gt;
=== Ongoing Activities ===&lt;br /&gt;
* [[PUT 1372 - Mechanisms of vacuum arching in high electric field systems]]&lt;br /&gt;
&lt;br /&gt;
=== Ongoing PhD Projects ===&lt;br /&gt;
* [[Computer assisted design and development of tailored nanostructures]]&lt;br /&gt;
&lt;br /&gt;
=== Glory and Success ===&lt;br /&gt;
* [https://novaator.err.ee/944778/mis-suunas-areneb-nanotehnoloogia Novaator - mis suunas areneb nanotehnoloogia]&lt;br /&gt;
* [https://www.uttv.ee/naita?id=26381 Tartu Ülikooli demopäev - Arvutisimulatsioonid tootearenduses]&lt;br /&gt;
* [[PUT 57 - Multiscale simulations of dislocation generation in rf electric fields in the linear accelerator design (01.01.2013 - 31.12.2016)]]&lt;br /&gt;
* [[ETF 9216 - Development and optimization of 3D-microbatteries (01.01.2012-31.21.2015)]]&lt;br /&gt;
&lt;br /&gt;
=== Student projects  ===&lt;br /&gt;
* [[Materjalidefektide simuleerimine kõrgetes elektriväljades]]&lt;br /&gt;
* [[Järgmise generatsiooni bioreaktorid]]&lt;br /&gt;
* [[Ehitiste konstruktsioonielementide multiskaala mudelite arendamine]]&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
== Members ==&lt;br /&gt;
&lt;br /&gt;
{{Team|&lt;br /&gt;
{{TeamMember|Vahur|Vahur Zadin|senior researcher (finite element modelling, molecular dynamics, high electric fields, CERN))}}&lt;br /&gt;
{{TeamMember|Tarmo|Tarmo Tamm|seniour researcher}}&lt;br /&gt;
{{TeamMember|Heiki|Heiki Kasemägi|senior researcher (ion-conducting polymer, computer simulations) &amp;amp; Computer engineering study programme manager}}&lt;br /&gt;
{{TeamMember|Alvo|Alvo Aabloo| professor, head of the IMS lab}}&lt;br /&gt;
{{TeamMember|Kristiankuppart|Kristian Kuppart|PhD student (MD in high electric fields)}}&lt;br /&gt;
{{TeamMember|Faiza|Faiza Summer|PhD student (Flow-capacitor)}}&lt;br /&gt;
{{TeamMember|Ats.aasmaa|Ats Aasmaa|student (modelling of microbatteries)}}&lt;br /&gt;
{{TeamMember|Mihkel.Veske|Mihkel Veske|in Helsinki University}}&lt;br /&gt;
{{TeamMember|ye.wang|Ye Wang|PhD student (Design and development of tailored nanostructures)}}&lt;br /&gt;
}}&lt;br /&gt;
&lt;br /&gt;
=== Friends and collaborators ===&lt;br /&gt;
&lt;br /&gt;
* Flyura Djurabekova (Helsinki University)&lt;br /&gt;
* Ville Jansson (Helsinki University)&lt;br /&gt;
* Walter Wuench (CERN)&lt;br /&gt;
* Daniel Brandell (Uppsala University)&lt;br /&gt;
* Sergei Vlassov (UT, Institute of Physics)&lt;br /&gt;
&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
==Publications==&lt;br /&gt;
(All references in Harvard style from Google Scholar)&lt;br /&gt;
&lt;br /&gt;
# [[Data sets of migration barriers for atomistic Kinetic Monte Carlo simulations of Cu self-diffusion via first nearest neighbour atomic jumps. Data in Brief, 17, pp.739-743|Baibuz, E., Vigonski, S., Lahtinen, J., Zhao, J., Jansson, V., Zadin, V. and Djurabekova, F., 2018. Data sets of migration barriers for atomistic Kinetic Monte Carlo simulations of Cu self-diffusion via first nearest neighbour atomic jumps. Data in Brief, 17, pp.739-743]]&lt;br /&gt;
# Zadin, V., Veske, M., Vigonski, S., Jansson, V., Muszynski, J., Parviainen, S., Aabloo, A. and Djurabekova, F., 2018. Simulations of surface stress effects in nanoscale single crystals. Modelling and Simulation in Materials Science and Engineering.&lt;br /&gt;
# Metspalu, T., Jansson, V., Zadin, V., Avchaciov, K., Nordlund, K., Aabloo, A. and Djurabekova, F., 2018. Cu self-sputtering MD simulations for 0.1–5 keV ions at elevated temperatures. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 415, pp.31-40.&lt;br /&gt;
# Vigonski, S., Jansson, V., Vlassov, S., Polyakov, B., Baibuz, E., Oras, S., Aabloo, A., Djurabekova, F. and Zadin, V., 2017. Au nanowire junction breakup through surface atom diffusion. Nanotechnology, 29(1), p.015704.&lt;br /&gt;
#Kyritsakis, A., Veske, M., Eimre, K., Zadin, V. and Djurabekova, F., 2017. Thermal runaway and evaporation of metal nano-tips during intense electron emission. arXiv preprint arXiv:1710.00050.&lt;br /&gt;
#Priimägi, P., Kasemägi, H., Aabloo, A., Brandell, D. and Zadin, V., 2017. Thermal Simulations of Polymer Electrolyte 3D Li-Microbatteries. Electrochimica Acta, 244, pp.129-138.&lt;br /&gt;
#Baibuz, E., Vigonski, S., Lahtinen, J., Zhao, J., Jansson, V., Zadin, V. and Djurabekova, F., 2017. Migration barriers for surface diffusion on a rigid lattice: challenges and solutions. arXiv preprint arXiv:1707.05765.&lt;br /&gt;
#Veske, M., Kyritsakis, A., Eimre, K., Zadin, V., Aabloo, A. and Djurabekova, F., 2017. Dynamic coupling of a finite element solver to large-scale atomistic simulations. arXiv preprint arXiv:1706.09661.&lt;br /&gt;
#Yanagisawa, H., Zadin, V., Kunze, K., Hafner, C., Aabloo, A., Kim, D.E., Kling, M.F., Djurabekova, F., Osterwalder, J. and Wuensch, W., 2016. Laser-induced asymmetric faceting and growth of a nano-protrusion on a tungsten tip. APL Photonics, 1(9), p.091305.&lt;br /&gt;
#Mets, M., Antsov, M., Zadin, V., Dorogin, L.M., Aabloo, A., Polyakov, B., Lõhmus, R. and Vlassov, S., 2016. Structural factor in bending testing of fivefold twinned nanowires revealed by finite element analysis. Physica Scripta, 91(11), p.115701.&lt;br /&gt;
#CLIC, T., Boland, M.J., Felzmann, U., Giansiracusa, P.J., Lucas, T.G., Rassool, R.P., Balazs, C., Charles, T.K., Afanaciev, K., Emeliantchik, I. and Ignatenko, A., 2016. Updated baseline for a staged Compact Linear Collider. arXiv preprint arXiv:1608.07537.&lt;br /&gt;
#Priimägi, P., Brandell, D., Srivastav, S., Aabloo, A., Kasemägi, H. and Zadin, V., 2016. Optimizing the design of 3D-pillar microbatteries using finite element modelling. Electrochimica Acta, 209, pp.138-148.&lt;br /&gt;
#Veske, M., Kyritsakis, A., Djurabekova, F., Aare, R., Eimre, K. and Zadin, V., 2016, July. Atomistic modeling of metal surfaces under high electric fields: Direct coupling of electric fields to the atomistic simulations. In Vacuum Nanoelectronics Conference (IVNC), 2016 29th International (pp. 1-2). IEEE.&lt;br /&gt;
#Veske, M., Parviainen, S., Zadin, V., Aabloo, A. and Djurabekova, F., 2016. Electrodynamics—molecular dynamics simulations of the stability of Cu nanotips under high electric field. Journal of Physics D: Applied Physics, 49(21), p.215301.&lt;br /&gt;
#Vigonski, S., Veske, M., Aabloo, A., Djurabekova, F. and Zadin, V., 2015. Verification of a multiscale surface stress model near voids in copper under the load induced by external high electric field. Applied Mathematics and Computation, 267, pp.476-486.&lt;br /&gt;
#Zadin, V., Kasemägi, H., Valdna, V., Vigonski, S., Veske, M. and Aabloo, A., 2015. Application of multiphysics and multiscale simulations to optimize industrial wood drying kilns. Applied Mathematics and Computation, 267, pp.465-475.&lt;br /&gt;
#Eimre, K., Parviainen, S., Aabloo, A., Djurabekova, F. and Zadin, V., 2015. Application of the general thermal field model to simulate the behaviour of nanoscale Cu field emitters. Journal of Applied Physics, 118(3), p.033303.&lt;br /&gt;
#Vigonski, S., Djurabekova, F., Veske, M., Aabloo, A. and Zadin, V., 2015. Molecular dynamics simulations of near-surface Fe precipitates in Cu under high electric fields. Modelling and Simulation in Materials Science and Engineering, 23(2), p.025009.&lt;br /&gt;
#Zadin, V., Krasheninnikov, A.V., Djurabekova, F. and Nordlund, K., 2015. Simulations of electromechanical shape transformations of Au nanoparticles. physica status solidi (b), 252(1), pp.144-148.&lt;br /&gt;
#Zadin, V., Pohjonen, A., Aabloo, A., Nordlund, K. and Djurabekova, F., 2014. Electrostatic-elastoplastic simulations of copper surface under high electric fields. Physical Review Special Topics-Accelerators and Beams, 17(10), p.103501.&lt;br /&gt;
#Zadin, V., Brandell, D., Kasemägi, H., Lellep, J. and Aabloo, A., 2013. Designing the 3D-microbattery geometry using the level-set method. Journal of Power Sources, 244, pp.417-428.&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
==Defended theses==&lt;br /&gt;
&lt;br /&gt;
=== Masters Theses ===&lt;br /&gt;
* Kristjan Eimre&lt;br /&gt;
* Kristian Kuppart&lt;br /&gt;
* Robert Aare&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
=== Bachelor's theses ===&lt;br /&gt;
&lt;br /&gt;
* [[Kristjan Eimre - title]]&lt;br /&gt;
* [[Kristian Kuppart - title]]&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;/div&gt;</summary>
		<author><name>Vahur</name></author>
	</entry>
	<entry>
		<id>https://ims.ut.ee/index.php?title=Computational_Materials&amp;diff=21375</id>
		<title>Computational Materials</title>
		<link rel="alternate" type="text/html" href="https://ims.ut.ee/index.php?title=Computational_Materials&amp;diff=21375"/>
		<updated>2019-11-20T11:43:37Z</updated>

		<summary type="html">&lt;p&gt;Vahur: /* Glory and Success */&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;== Our vision, goal and what we do ==&lt;br /&gt;
&lt;br /&gt;
[[File:multiscale.png|200px|thumb|right| Simulations heat transfer and mechanical stress of FCC metal in multiscale framework.]]&lt;br /&gt;
&lt;br /&gt;
Computer simulations are some of the most fascinating tools made available due to the development of modern computational technology. Simulations in physics, chemistry, materials science, engineering etc. allow us to obtain detailed information of the phenomena of interest and provide often complete 3D and time dependent information of quantities like electromagnetic fields, temperature, forces and mechanical stresses, deformations. Such information leads to deep insights and understanding of nature around us, opening ways to understand complex physical and chemical processes and to the development of novel technologies and applications.&lt;br /&gt;
&lt;br /&gt;
The simulation activities conducted in the lab involve all levels from atomistic to macroscopic (DFT -&amp;gt; Molecular Dynamics -&amp;gt; Monter Carlo -&amp;gt; Finite Elements), including combinations of these methods i.e. multi scale simulations. The core capacity involves both, computational studies of materials and development of new methodology. &lt;br /&gt;
&lt;br /&gt;
Some examples of applications:&lt;br /&gt;
&lt;br /&gt;
* Mechanics&lt;br /&gt;
* CFD (turbulent &amp;amp; laminar)  &lt;br /&gt;
* Heat transport&lt;br /&gt;
* Electric and magnetic fields&lt;br /&gt;
* Chemical reactions&lt;br /&gt;
* Acoustics&lt;br /&gt;
* Multiphysics combinations of these phenomena!&lt;br /&gt;
&lt;br /&gt;
=== Image gallery ===&lt;br /&gt;
&lt;br /&gt;
&amp;lt;gallery mode=&amp;quot;packed-hover&amp;quot;&amp;gt;&lt;br /&gt;
file:multiscale.png|''Multiscaling with FEM in nano-contact''&lt;br /&gt;
file:strainsfinal_facebook.jpg|&amp;quot;Shear strain field around nanovoid in MD and FEM&amp;quot;&lt;br /&gt;
file:tension2.gif|&amp;quot;Animation of stress and deformation in Cu during tensile testing&amp;quot;&lt;br /&gt;
File:Foam Graphical abstract.tiff|&amp;quot;Ionic transport in 3D microbattery&amp;quot;&lt;br /&gt;
&amp;lt;/gallery&amp;gt;&lt;br /&gt;
&lt;br /&gt;
=== Tools we use ===&lt;br /&gt;
* Comsol Multiphysics  [https://www.comsol.com/]&lt;br /&gt;
* LAMMPS [http://lammps.sandia.gov/]&lt;br /&gt;
* DEAL.II open source finite element library [http://dealii.org/]&lt;br /&gt;
* OpenFOAM CFD [https://www.openfoam.com/]&lt;br /&gt;
* FEMOCS (https://github.com/veskem/femocs)&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
== Research Projects ==&lt;br /&gt;
=== Ongoing Activities ===&lt;br /&gt;
* [[PUT 1372 - Mechanisms of vacuum arching in high electric field systems]]&lt;br /&gt;
&lt;br /&gt;
=== Ongoing PhD Projects ===&lt;br /&gt;
* [[Computer assisted design and development of tailored nanostructures]]&lt;br /&gt;
&lt;br /&gt;
=== Glory and Success ===&lt;br /&gt;
* [https://novaator.err.ee/944778/mis-suunas-areneb-nanotehnoloogia Novaator - mis suunas areneb nanotehnoloogia]&lt;br /&gt;
* [[PUT 57 - Multiscale simulations of dislocation generation in rf electric fields in the linear accelerator design (01.01.2013 - 31.12.2016)]]&lt;br /&gt;
* [[ETF 9216 - Development and optimization of 3D-microbatteries (01.01.2012-31.21.2015)]]&lt;br /&gt;
&lt;br /&gt;
=== Student projects  ===&lt;br /&gt;
* [[Materjalidefektide simuleerimine kõrgetes elektriväljades]]&lt;br /&gt;
* [[Järgmise generatsiooni bioreaktorid]]&lt;br /&gt;
* [[Ehitiste konstruktsioonielementide multiskaala mudelite arendamine]]&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
== Members ==&lt;br /&gt;
&lt;br /&gt;
{{Team|&lt;br /&gt;
{{TeamMember|Vahur|Vahur Zadin|senior researcher (finite element modelling, molecular dynamics, high electric fields, CERN))}}&lt;br /&gt;
{{TeamMember|Tarmo|Tarmo Tamm|seniour researcher}}&lt;br /&gt;
{{TeamMember|Heiki|Heiki Kasemägi|senior researcher (ion-conducting polymer, computer simulations) &amp;amp; Computer engineering study programme manager}}&lt;br /&gt;
{{TeamMember|Alvo|Alvo Aabloo| professor, head of the IMS lab}}&lt;br /&gt;
{{TeamMember|Kristiankuppart|Kristian Kuppart|PhD student (MD in high electric fields)}}&lt;br /&gt;
{{TeamMember|Faiza|Faiza Summer|PhD student (Flow-capacitor)}}&lt;br /&gt;
{{TeamMember|Ats.aasmaa|Ats Aasmaa|student (modelling of microbatteries)}}&lt;br /&gt;
{{TeamMember|Mihkel.Veske|Mihkel Veske|in Helsinki University}}&lt;br /&gt;
{{TeamMember|ye.wang|Ye Wang|PhD student (Design and development of tailored nanostructures)}}&lt;br /&gt;
}}&lt;br /&gt;
&lt;br /&gt;
=== Friends and collaborators ===&lt;br /&gt;
&lt;br /&gt;
* Flyura Djurabekova (Helsinki University)&lt;br /&gt;
* Ville Jansson (Helsinki University)&lt;br /&gt;
* Walter Wuench (CERN)&lt;br /&gt;
* Daniel Brandell (Uppsala University)&lt;br /&gt;
* Sergei Vlassov (UT, Institute of Physics)&lt;br /&gt;
&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
==Publications==&lt;br /&gt;
(All references in Harvard style from Google Scholar)&lt;br /&gt;
&lt;br /&gt;
# [[Data sets of migration barriers for atomistic Kinetic Monte Carlo simulations of Cu self-diffusion via first nearest neighbour atomic jumps. Data in Brief, 17, pp.739-743|Baibuz, E., Vigonski, S., Lahtinen, J., Zhao, J., Jansson, V., Zadin, V. and Djurabekova, F., 2018. Data sets of migration barriers for atomistic Kinetic Monte Carlo simulations of Cu self-diffusion via first nearest neighbour atomic jumps. Data in Brief, 17, pp.739-743]]&lt;br /&gt;
# Zadin, V., Veske, M., Vigonski, S., Jansson, V., Muszynski, J., Parviainen, S., Aabloo, A. and Djurabekova, F., 2018. Simulations of surface stress effects in nanoscale single crystals. Modelling and Simulation in Materials Science and Engineering.&lt;br /&gt;
# Metspalu, T., Jansson, V., Zadin, V., Avchaciov, K., Nordlund, K., Aabloo, A. and Djurabekova, F., 2018. Cu self-sputtering MD simulations for 0.1–5 keV ions at elevated temperatures. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 415, pp.31-40.&lt;br /&gt;
# Vigonski, S., Jansson, V., Vlassov, S., Polyakov, B., Baibuz, E., Oras, S., Aabloo, A., Djurabekova, F. and Zadin, V., 2017. Au nanowire junction breakup through surface atom diffusion. Nanotechnology, 29(1), p.015704.&lt;br /&gt;
#Kyritsakis, A., Veske, M., Eimre, K., Zadin, V. and Djurabekova, F., 2017. Thermal runaway and evaporation of metal nano-tips during intense electron emission. arXiv preprint arXiv:1710.00050.&lt;br /&gt;
#Priimägi, P., Kasemägi, H., Aabloo, A., Brandell, D. and Zadin, V., 2017. Thermal Simulations of Polymer Electrolyte 3D Li-Microbatteries. Electrochimica Acta, 244, pp.129-138.&lt;br /&gt;
#Baibuz, E., Vigonski, S., Lahtinen, J., Zhao, J., Jansson, V., Zadin, V. and Djurabekova, F., 2017. Migration barriers for surface diffusion on a rigid lattice: challenges and solutions. arXiv preprint arXiv:1707.05765.&lt;br /&gt;
#Veske, M., Kyritsakis, A., Eimre, K., Zadin, V., Aabloo, A. and Djurabekova, F., 2017. Dynamic coupling of a finite element solver to large-scale atomistic simulations. arXiv preprint arXiv:1706.09661.&lt;br /&gt;
#Yanagisawa, H., Zadin, V., Kunze, K., Hafner, C., Aabloo, A., Kim, D.E., Kling, M.F., Djurabekova, F., Osterwalder, J. and Wuensch, W., 2016. Laser-induced asymmetric faceting and growth of a nano-protrusion on a tungsten tip. APL Photonics, 1(9), p.091305.&lt;br /&gt;
#Mets, M., Antsov, M., Zadin, V., Dorogin, L.M., Aabloo, A., Polyakov, B., Lõhmus, R. and Vlassov, S., 2016. Structural factor in bending testing of fivefold twinned nanowires revealed by finite element analysis. Physica Scripta, 91(11), p.115701.&lt;br /&gt;
#CLIC, T., Boland, M.J., Felzmann, U., Giansiracusa, P.J., Lucas, T.G., Rassool, R.P., Balazs, C., Charles, T.K., Afanaciev, K., Emeliantchik, I. and Ignatenko, A., 2016. Updated baseline for a staged Compact Linear Collider. arXiv preprint arXiv:1608.07537.&lt;br /&gt;
#Priimägi, P., Brandell, D., Srivastav, S., Aabloo, A., Kasemägi, H. and Zadin, V., 2016. Optimizing the design of 3D-pillar microbatteries using finite element modelling. Electrochimica Acta, 209, pp.138-148.&lt;br /&gt;
#Veske, M., Kyritsakis, A., Djurabekova, F., Aare, R., Eimre, K. and Zadin, V., 2016, July. Atomistic modeling of metal surfaces under high electric fields: Direct coupling of electric fields to the atomistic simulations. In Vacuum Nanoelectronics Conference (IVNC), 2016 29th International (pp. 1-2). IEEE.&lt;br /&gt;
#Veske, M., Parviainen, S., Zadin, V., Aabloo, A. and Djurabekova, F., 2016. Electrodynamics—molecular dynamics simulations of the stability of Cu nanotips under high electric field. Journal of Physics D: Applied Physics, 49(21), p.215301.&lt;br /&gt;
#Vigonski, S., Veske, M., Aabloo, A., Djurabekova, F. and Zadin, V., 2015. Verification of a multiscale surface stress model near voids in copper under the load induced by external high electric field. Applied Mathematics and Computation, 267, pp.476-486.&lt;br /&gt;
#Zadin, V., Kasemägi, H., Valdna, V., Vigonski, S., Veske, M. and Aabloo, A., 2015. Application of multiphysics and multiscale simulations to optimize industrial wood drying kilns. Applied Mathematics and Computation, 267, pp.465-475.&lt;br /&gt;
#Eimre, K., Parviainen, S., Aabloo, A., Djurabekova, F. and Zadin, V., 2015. Application of the general thermal field model to simulate the behaviour of nanoscale Cu field emitters. Journal of Applied Physics, 118(3), p.033303.&lt;br /&gt;
#Vigonski, S., Djurabekova, F., Veske, M., Aabloo, A. and Zadin, V., 2015. Molecular dynamics simulations of near-surface Fe precipitates in Cu under high electric fields. Modelling and Simulation in Materials Science and Engineering, 23(2), p.025009.&lt;br /&gt;
#Zadin, V., Krasheninnikov, A.V., Djurabekova, F. and Nordlund, K., 2015. Simulations of electromechanical shape transformations of Au nanoparticles. physica status solidi (b), 252(1), pp.144-148.&lt;br /&gt;
#Zadin, V., Pohjonen, A., Aabloo, A., Nordlund, K. and Djurabekova, F., 2014. Electrostatic-elastoplastic simulations of copper surface under high electric fields. Physical Review Special Topics-Accelerators and Beams, 17(10), p.103501.&lt;br /&gt;
#Zadin, V., Brandell, D., Kasemägi, H., Lellep, J. and Aabloo, A., 2013. Designing the 3D-microbattery geometry using the level-set method. Journal of Power Sources, 244, pp.417-428.&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
==Defended theses==&lt;br /&gt;
&lt;br /&gt;
=== Masters Theses ===&lt;br /&gt;
* Kristjan Eimre&lt;br /&gt;
* Kristian Kuppart&lt;br /&gt;
* Robert Aare&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
=== Bachelor's theses ===&lt;br /&gt;
&lt;br /&gt;
* [[Kristjan Eimre - title]]&lt;br /&gt;
* [[Kristian Kuppart - title]]&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;/div&gt;</summary>
		<author><name>Vahur</name></author>
	</entry>
	<entry>
		<id>https://ims.ut.ee/index.php?title=Novaator_-_Mis_suunas_areneb_nanotehnoloogia&amp;diff=21374</id>
		<title>Novaator - Mis suunas areneb nanotehnoloogia</title>
		<link rel="alternate" type="text/html" href="https://ims.ut.ee/index.php?title=Novaator_-_Mis_suunas_areneb_nanotehnoloogia&amp;diff=21374"/>
		<updated>2019-11-20T11:42:08Z</updated>

		<summary type="html">&lt;p&gt;Vahur: Redirected page to Https://novaator.err.ee/944778/mis-suunas-areneb-nanotehnoloogia&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;#REDIRECT [[https://novaator.err.ee/944778/mis-suunas-areneb-nanotehnoloogia]]&lt;/div&gt;</summary>
		<author><name>Vahur</name></author>
	</entry>
	<entry>
		<id>https://ims.ut.ee/index.php?title=Computational_Materials&amp;diff=21373</id>
		<title>Computational Materials</title>
		<link rel="alternate" type="text/html" href="https://ims.ut.ee/index.php?title=Computational_Materials&amp;diff=21373"/>
		<updated>2019-11-20T11:41:20Z</updated>

		<summary type="html">&lt;p&gt;Vahur: /* Glory and Success */&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;== Our vision, goal and what we do ==&lt;br /&gt;
&lt;br /&gt;
[[File:multiscale.png|200px|thumb|right| Simulations heat transfer and mechanical stress of FCC metal in multiscale framework.]]&lt;br /&gt;
&lt;br /&gt;
Computer simulations are some of the most fascinating tools made available due to the development of modern computational technology. Simulations in physics, chemistry, materials science, engineering etc. allow us to obtain detailed information of the phenomena of interest and provide often complete 3D and time dependent information of quantities like electromagnetic fields, temperature, forces and mechanical stresses, deformations. Such information leads to deep insights and understanding of nature around us, opening ways to understand complex physical and chemical processes and to the development of novel technologies and applications.&lt;br /&gt;
&lt;br /&gt;
The simulation activities conducted in the lab involve all levels from atomistic to macroscopic (DFT -&amp;gt; Molecular Dynamics -&amp;gt; Monter Carlo -&amp;gt; Finite Elements), including combinations of these methods i.e. multi scale simulations. The core capacity involves both, computational studies of materials and development of new methodology. &lt;br /&gt;
&lt;br /&gt;
Some examples of applications:&lt;br /&gt;
&lt;br /&gt;
* Mechanics&lt;br /&gt;
* CFD (turbulent &amp;amp; laminar)  &lt;br /&gt;
* Heat transport&lt;br /&gt;
* Electric and magnetic fields&lt;br /&gt;
* Chemical reactions&lt;br /&gt;
* Acoustics&lt;br /&gt;
* Multiphysics combinations of these phenomena!&lt;br /&gt;
&lt;br /&gt;
=== Image gallery ===&lt;br /&gt;
&lt;br /&gt;
&amp;lt;gallery mode=&amp;quot;packed-hover&amp;quot;&amp;gt;&lt;br /&gt;
file:multiscale.png|''Multiscaling with FEM in nano-contact''&lt;br /&gt;
file:strainsfinal_facebook.jpg|&amp;quot;Shear strain field around nanovoid in MD and FEM&amp;quot;&lt;br /&gt;
file:tension2.gif|&amp;quot;Animation of stress and deformation in Cu during tensile testing&amp;quot;&lt;br /&gt;
File:Foam Graphical abstract.tiff|&amp;quot;Ionic transport in 3D microbattery&amp;quot;&lt;br /&gt;
&amp;lt;/gallery&amp;gt;&lt;br /&gt;
&lt;br /&gt;
=== Tools we use ===&lt;br /&gt;
* Comsol Multiphysics  [https://www.comsol.com/]&lt;br /&gt;
* LAMMPS [http://lammps.sandia.gov/]&lt;br /&gt;
* DEAL.II open source finite element library [http://dealii.org/]&lt;br /&gt;
* OpenFOAM CFD [https://www.openfoam.com/]&lt;br /&gt;
* FEMOCS (https://github.com/veskem/femocs)&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
== Research Projects ==&lt;br /&gt;
=== Ongoing Activities ===&lt;br /&gt;
* [[PUT 1372 - Mechanisms of vacuum arching in high electric field systems]]&lt;br /&gt;
&lt;br /&gt;
=== Ongoing PhD Projects ===&lt;br /&gt;
* [[Computer assisted design and development of tailored nanostructures]]&lt;br /&gt;
&lt;br /&gt;
=== Glory and Success ===&lt;br /&gt;
* [[Novaator - Mis suunas areneb nanotehnoloogia]]&lt;br /&gt;
* [[PUT 57 - Multiscale simulations of dislocation generation in rf electric fields in the linear accelerator design (01.01.2013 - 31.12.2016)]]&lt;br /&gt;
* [[ETF 9216 - Development and optimization of 3D-microbatteries (01.01.2012-31.21.2015)]]&lt;br /&gt;
&lt;br /&gt;
=== Student projects  ===&lt;br /&gt;
* [[Materjalidefektide simuleerimine kõrgetes elektriväljades]]&lt;br /&gt;
* [[Järgmise generatsiooni bioreaktorid]]&lt;br /&gt;
* [[Ehitiste konstruktsioonielementide multiskaala mudelite arendamine]]&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
== Members ==&lt;br /&gt;
&lt;br /&gt;
{{Team|&lt;br /&gt;
{{TeamMember|Vahur|Vahur Zadin|senior researcher (finite element modelling, molecular dynamics, high electric fields, CERN))}}&lt;br /&gt;
{{TeamMember|Tarmo|Tarmo Tamm|seniour researcher}}&lt;br /&gt;
{{TeamMember|Heiki|Heiki Kasemägi|senior researcher (ion-conducting polymer, computer simulations) &amp;amp; Computer engineering study programme manager}}&lt;br /&gt;
{{TeamMember|Alvo|Alvo Aabloo| professor, head of the IMS lab}}&lt;br /&gt;
{{TeamMember|Kristiankuppart|Kristian Kuppart|PhD student (MD in high electric fields)}}&lt;br /&gt;
{{TeamMember|Faiza|Faiza Summer|PhD student (Flow-capacitor)}}&lt;br /&gt;
{{TeamMember|Ats.aasmaa|Ats Aasmaa|student (modelling of microbatteries)}}&lt;br /&gt;
{{TeamMember|Mihkel.Veske|Mihkel Veske|in Helsinki University}}&lt;br /&gt;
{{TeamMember|ye.wang|Ye Wang|PhD student (Design and development of tailored nanostructures)}}&lt;br /&gt;
}}&lt;br /&gt;
&lt;br /&gt;
=== Friends and collaborators ===&lt;br /&gt;
&lt;br /&gt;
* Flyura Djurabekova (Helsinki University)&lt;br /&gt;
* Ville Jansson (Helsinki University)&lt;br /&gt;
* Walter Wuench (CERN)&lt;br /&gt;
* Daniel Brandell (Uppsala University)&lt;br /&gt;
* Sergei Vlassov (UT, Institute of Physics)&lt;br /&gt;
&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
==Publications==&lt;br /&gt;
(All references in Harvard style from Google Scholar)&lt;br /&gt;
&lt;br /&gt;
# [[Data sets of migration barriers for atomistic Kinetic Monte Carlo simulations of Cu self-diffusion via first nearest neighbour atomic jumps. Data in Brief, 17, pp.739-743|Baibuz, E., Vigonski, S., Lahtinen, J., Zhao, J., Jansson, V., Zadin, V. and Djurabekova, F., 2018. Data sets of migration barriers for atomistic Kinetic Monte Carlo simulations of Cu self-diffusion via first nearest neighbour atomic jumps. Data in Brief, 17, pp.739-743]]&lt;br /&gt;
# Zadin, V., Veske, M., Vigonski, S., Jansson, V., Muszynski, J., Parviainen, S., Aabloo, A. and Djurabekova, F., 2018. Simulations of surface stress effects in nanoscale single crystals. Modelling and Simulation in Materials Science and Engineering.&lt;br /&gt;
# Metspalu, T., Jansson, V., Zadin, V., Avchaciov, K., Nordlund, K., Aabloo, A. and Djurabekova, F., 2018. Cu self-sputtering MD simulations for 0.1–5 keV ions at elevated temperatures. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 415, pp.31-40.&lt;br /&gt;
# Vigonski, S., Jansson, V., Vlassov, S., Polyakov, B., Baibuz, E., Oras, S., Aabloo, A., Djurabekova, F. and Zadin, V., 2017. Au nanowire junction breakup through surface atom diffusion. Nanotechnology, 29(1), p.015704.&lt;br /&gt;
#Kyritsakis, A., Veske, M., Eimre, K., Zadin, V. and Djurabekova, F., 2017. Thermal runaway and evaporation of metal nano-tips during intense electron emission. arXiv preprint arXiv:1710.00050.&lt;br /&gt;
#Priimägi, P., Kasemägi, H., Aabloo, A., Brandell, D. and Zadin, V., 2017. Thermal Simulations of Polymer Electrolyte 3D Li-Microbatteries. Electrochimica Acta, 244, pp.129-138.&lt;br /&gt;
#Baibuz, E., Vigonski, S., Lahtinen, J., Zhao, J., Jansson, V., Zadin, V. and Djurabekova, F., 2017. Migration barriers for surface diffusion on a rigid lattice: challenges and solutions. arXiv preprint arXiv:1707.05765.&lt;br /&gt;
#Veske, M., Kyritsakis, A., Eimre, K., Zadin, V., Aabloo, A. and Djurabekova, F., 2017. Dynamic coupling of a finite element solver to large-scale atomistic simulations. arXiv preprint arXiv:1706.09661.&lt;br /&gt;
#Yanagisawa, H., Zadin, V., Kunze, K., Hafner, C., Aabloo, A., Kim, D.E., Kling, M.F., Djurabekova, F., Osterwalder, J. and Wuensch, W., 2016. Laser-induced asymmetric faceting and growth of a nano-protrusion on a tungsten tip. APL Photonics, 1(9), p.091305.&lt;br /&gt;
#Mets, M., Antsov, M., Zadin, V., Dorogin, L.M., Aabloo, A., Polyakov, B., Lõhmus, R. and Vlassov, S., 2016. Structural factor in bending testing of fivefold twinned nanowires revealed by finite element analysis. Physica Scripta, 91(11), p.115701.&lt;br /&gt;
#CLIC, T., Boland, M.J., Felzmann, U., Giansiracusa, P.J., Lucas, T.G., Rassool, R.P., Balazs, C., Charles, T.K., Afanaciev, K., Emeliantchik, I. and Ignatenko, A., 2016. Updated baseline for a staged Compact Linear Collider. arXiv preprint arXiv:1608.07537.&lt;br /&gt;
#Priimägi, P., Brandell, D., Srivastav, S., Aabloo, A., Kasemägi, H. and Zadin, V., 2016. Optimizing the design of 3D-pillar microbatteries using finite element modelling. Electrochimica Acta, 209, pp.138-148.&lt;br /&gt;
#Veske, M., Kyritsakis, A., Djurabekova, F., Aare, R., Eimre, K. and Zadin, V., 2016, July. Atomistic modeling of metal surfaces under high electric fields: Direct coupling of electric fields to the atomistic simulations. In Vacuum Nanoelectronics Conference (IVNC), 2016 29th International (pp. 1-2). IEEE.&lt;br /&gt;
#Veske, M., Parviainen, S., Zadin, V., Aabloo, A. and Djurabekova, F., 2016. Electrodynamics—molecular dynamics simulations of the stability of Cu nanotips under high electric field. Journal of Physics D: Applied Physics, 49(21), p.215301.&lt;br /&gt;
#Vigonski, S., Veske, M., Aabloo, A., Djurabekova, F. and Zadin, V., 2015. Verification of a multiscale surface stress model near voids in copper under the load induced by external high electric field. Applied Mathematics and Computation, 267, pp.476-486.&lt;br /&gt;
#Zadin, V., Kasemägi, H., Valdna, V., Vigonski, S., Veske, M. and Aabloo, A., 2015. Application of multiphysics and multiscale simulations to optimize industrial wood drying kilns. Applied Mathematics and Computation, 267, pp.465-475.&lt;br /&gt;
#Eimre, K., Parviainen, S., Aabloo, A., Djurabekova, F. and Zadin, V., 2015. Application of the general thermal field model to simulate the behaviour of nanoscale Cu field emitters. Journal of Applied Physics, 118(3), p.033303.&lt;br /&gt;
#Vigonski, S., Djurabekova, F., Veske, M., Aabloo, A. and Zadin, V., 2015. Molecular dynamics simulations of near-surface Fe precipitates in Cu under high electric fields. Modelling and Simulation in Materials Science and Engineering, 23(2), p.025009.&lt;br /&gt;
#Zadin, V., Krasheninnikov, A.V., Djurabekova, F. and Nordlund, K., 2015. Simulations of electromechanical shape transformations of Au nanoparticles. physica status solidi (b), 252(1), pp.144-148.&lt;br /&gt;
#Zadin, V., Pohjonen, A., Aabloo, A., Nordlund, K. and Djurabekova, F., 2014. Electrostatic-elastoplastic simulations of copper surface under high electric fields. Physical Review Special Topics-Accelerators and Beams, 17(10), p.103501.&lt;br /&gt;
#Zadin, V., Brandell, D., Kasemägi, H., Lellep, J. and Aabloo, A., 2013. Designing the 3D-microbattery geometry using the level-set method. Journal of Power Sources, 244, pp.417-428.&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
==Defended theses==&lt;br /&gt;
&lt;br /&gt;
=== Masters Theses ===&lt;br /&gt;
* Kristjan Eimre&lt;br /&gt;
* Kristian Kuppart&lt;br /&gt;
* Robert Aare&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
=== Bachelor's theses ===&lt;br /&gt;
&lt;br /&gt;
* [[Kristjan Eimre - title]]&lt;br /&gt;
* [[Kristian Kuppart - title]]&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;/div&gt;</summary>
		<author><name>Vahur</name></author>
	</entry>
	<entry>
		<id>https://ims.ut.ee/index.php?title=Computational_Materials&amp;diff=21372</id>
		<title>Computational Materials</title>
		<link rel="alternate" type="text/html" href="https://ims.ut.ee/index.php?title=Computational_Materials&amp;diff=21372"/>
		<updated>2019-11-20T11:34:24Z</updated>

		<summary type="html">&lt;p&gt;Vahur: /* Image gallery */&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;== Our vision, goal and what we do ==&lt;br /&gt;
&lt;br /&gt;
[[File:multiscale.png|200px|thumb|right| Simulations heat transfer and mechanical stress of FCC metal in multiscale framework.]]&lt;br /&gt;
&lt;br /&gt;
Computer simulations are some of the most fascinating tools made available due to the development of modern computational technology. Simulations in physics, chemistry, materials science, engineering etc. allow us to obtain detailed information of the phenomena of interest and provide often complete 3D and time dependent information of quantities like electromagnetic fields, temperature, forces and mechanical stresses, deformations. Such information leads to deep insights and understanding of nature around us, opening ways to understand complex physical and chemical processes and to the development of novel technologies and applications.&lt;br /&gt;
&lt;br /&gt;
The simulation activities conducted in the lab involve all levels from atomistic to macroscopic (DFT -&amp;gt; Molecular Dynamics -&amp;gt; Monter Carlo -&amp;gt; Finite Elements), including combinations of these methods i.e. multi scale simulations. The core capacity involves both, computational studies of materials and development of new methodology. &lt;br /&gt;
&lt;br /&gt;
Some examples of applications:&lt;br /&gt;
&lt;br /&gt;
* Mechanics&lt;br /&gt;
* CFD (turbulent &amp;amp; laminar)  &lt;br /&gt;
* Heat transport&lt;br /&gt;
* Electric and magnetic fields&lt;br /&gt;
* Chemical reactions&lt;br /&gt;
* Acoustics&lt;br /&gt;
* Multiphysics combinations of these phenomena!&lt;br /&gt;
&lt;br /&gt;
=== Image gallery ===&lt;br /&gt;
&lt;br /&gt;
&amp;lt;gallery mode=&amp;quot;packed-hover&amp;quot;&amp;gt;&lt;br /&gt;
file:multiscale.png|''Multiscaling with FEM in nano-contact''&lt;br /&gt;
file:strainsfinal_facebook.jpg|&amp;quot;Shear strain field around nanovoid in MD and FEM&amp;quot;&lt;br /&gt;
file:tension2.gif|&amp;quot;Animation of stress and deformation in Cu during tensile testing&amp;quot;&lt;br /&gt;
File:Foam Graphical abstract.tiff|&amp;quot;Ionic transport in 3D microbattery&amp;quot;&lt;br /&gt;
&amp;lt;/gallery&amp;gt;&lt;br /&gt;
&lt;br /&gt;
=== Tools we use ===&lt;br /&gt;
* Comsol Multiphysics  [https://www.comsol.com/]&lt;br /&gt;
* LAMMPS [http://lammps.sandia.gov/]&lt;br /&gt;
* DEAL.II open source finite element library [http://dealii.org/]&lt;br /&gt;
* OpenFOAM CFD [https://www.openfoam.com/]&lt;br /&gt;
* FEMOCS (https://github.com/veskem/femocs)&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
== Research Projects ==&lt;br /&gt;
=== Ongoing Activities ===&lt;br /&gt;
* [[PUT 1372 - Mechanisms of vacuum arching in high electric field systems]]&lt;br /&gt;
&lt;br /&gt;
=== Ongoing PhD Projects ===&lt;br /&gt;
* [[Computer assisted design and development of tailored nanostructures]]&lt;br /&gt;
&lt;br /&gt;
=== Glory and Success ===&lt;br /&gt;
* [[PUT 57 - Multiscale simulations of dislocation generation in rf electric fields in the linear accelerator design (01.01.2013 - 31.12.2016)]]&lt;br /&gt;
* [[ETF 9216 - Development and optimization of 3D-microbatteries (01.01.2012-31.21.2015)]]&lt;br /&gt;
&lt;br /&gt;
=== Student projects  ===&lt;br /&gt;
* [[Materjalidefektide simuleerimine kõrgetes elektriväljades]]&lt;br /&gt;
* [[Järgmise generatsiooni bioreaktorid]]&lt;br /&gt;
* [[Ehitiste konstruktsioonielementide multiskaala mudelite arendamine]]&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
== Members ==&lt;br /&gt;
&lt;br /&gt;
{{Team|&lt;br /&gt;
{{TeamMember|Vahur|Vahur Zadin|senior researcher (finite element modelling, molecular dynamics, high electric fields, CERN))}}&lt;br /&gt;
{{TeamMember|Tarmo|Tarmo Tamm|seniour researcher}}&lt;br /&gt;
{{TeamMember|Heiki|Heiki Kasemägi|senior researcher (ion-conducting polymer, computer simulations) &amp;amp; Computer engineering study programme manager}}&lt;br /&gt;
{{TeamMember|Alvo|Alvo Aabloo| professor, head of the IMS lab}}&lt;br /&gt;
{{TeamMember|Kristiankuppart|Kristian Kuppart|PhD student (MD in high electric fields)}}&lt;br /&gt;
{{TeamMember|Faiza|Faiza Summer|PhD student (Flow-capacitor)}}&lt;br /&gt;
{{TeamMember|Ats.aasmaa|Ats Aasmaa|student (modelling of microbatteries)}}&lt;br /&gt;
{{TeamMember|Mihkel.Veske|Mihkel Veske|in Helsinki University}}&lt;br /&gt;
{{TeamMember|ye.wang|Ye Wang|PhD student (Design and development of tailored nanostructures)}}&lt;br /&gt;
}}&lt;br /&gt;
&lt;br /&gt;
=== Friends and collaborators ===&lt;br /&gt;
&lt;br /&gt;
* Flyura Djurabekova (Helsinki University)&lt;br /&gt;
* Ville Jansson (Helsinki University)&lt;br /&gt;
* Walter Wuench (CERN)&lt;br /&gt;
* Daniel Brandell (Uppsala University)&lt;br /&gt;
* Sergei Vlassov (UT, Institute of Physics)&lt;br /&gt;
&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
==Publications==&lt;br /&gt;
(All references in Harvard style from Google Scholar)&lt;br /&gt;
&lt;br /&gt;
# [[Data sets of migration barriers for atomistic Kinetic Monte Carlo simulations of Cu self-diffusion via first nearest neighbour atomic jumps. Data in Brief, 17, pp.739-743|Baibuz, E., Vigonski, S., Lahtinen, J., Zhao, J., Jansson, V., Zadin, V. and Djurabekova, F., 2018. Data sets of migration barriers for atomistic Kinetic Monte Carlo simulations of Cu self-diffusion via first nearest neighbour atomic jumps. Data in Brief, 17, pp.739-743]]&lt;br /&gt;
# Zadin, V., Veske, M., Vigonski, S., Jansson, V., Muszynski, J., Parviainen, S., Aabloo, A. and Djurabekova, F., 2018. Simulations of surface stress effects in nanoscale single crystals. Modelling and Simulation in Materials Science and Engineering.&lt;br /&gt;
# Metspalu, T., Jansson, V., Zadin, V., Avchaciov, K., Nordlund, K., Aabloo, A. and Djurabekova, F., 2018. Cu self-sputtering MD simulations for 0.1–5 keV ions at elevated temperatures. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 415, pp.31-40.&lt;br /&gt;
# Vigonski, S., Jansson, V., Vlassov, S., Polyakov, B., Baibuz, E., Oras, S., Aabloo, A., Djurabekova, F. and Zadin, V., 2017. Au nanowire junction breakup through surface atom diffusion. Nanotechnology, 29(1), p.015704.&lt;br /&gt;
#Kyritsakis, A., Veske, M., Eimre, K., Zadin, V. and Djurabekova, F., 2017. Thermal runaway and evaporation of metal nano-tips during intense electron emission. arXiv preprint arXiv:1710.00050.&lt;br /&gt;
#Priimägi, P., Kasemägi, H., Aabloo, A., Brandell, D. and Zadin, V., 2017. Thermal Simulations of Polymer Electrolyte 3D Li-Microbatteries. Electrochimica Acta, 244, pp.129-138.&lt;br /&gt;
#Baibuz, E., Vigonski, S., Lahtinen, J., Zhao, J., Jansson, V., Zadin, V. and Djurabekova, F., 2017. Migration barriers for surface diffusion on a rigid lattice: challenges and solutions. arXiv preprint arXiv:1707.05765.&lt;br /&gt;
#Veske, M., Kyritsakis, A., Eimre, K., Zadin, V., Aabloo, A. and Djurabekova, F., 2017. Dynamic coupling of a finite element solver to large-scale atomistic simulations. arXiv preprint arXiv:1706.09661.&lt;br /&gt;
#Yanagisawa, H., Zadin, V., Kunze, K., Hafner, C., Aabloo, A., Kim, D.E., Kling, M.F., Djurabekova, F., Osterwalder, J. and Wuensch, W., 2016. Laser-induced asymmetric faceting and growth of a nano-protrusion on a tungsten tip. APL Photonics, 1(9), p.091305.&lt;br /&gt;
#Mets, M., Antsov, M., Zadin, V., Dorogin, L.M., Aabloo, A., Polyakov, B., Lõhmus, R. and Vlassov, S., 2016. Structural factor in bending testing of fivefold twinned nanowires revealed by finite element analysis. Physica Scripta, 91(11), p.115701.&lt;br /&gt;
#CLIC, T., Boland, M.J., Felzmann, U., Giansiracusa, P.J., Lucas, T.G., Rassool, R.P., Balazs, C., Charles, T.K., Afanaciev, K., Emeliantchik, I. and Ignatenko, A., 2016. Updated baseline for a staged Compact Linear Collider. arXiv preprint arXiv:1608.07537.&lt;br /&gt;
#Priimägi, P., Brandell, D., Srivastav, S., Aabloo, A., Kasemägi, H. and Zadin, V., 2016. Optimizing the design of 3D-pillar microbatteries using finite element modelling. Electrochimica Acta, 209, pp.138-148.&lt;br /&gt;
#Veske, M., Kyritsakis, A., Djurabekova, F., Aare, R., Eimre, K. and Zadin, V., 2016, July. Atomistic modeling of metal surfaces under high electric fields: Direct coupling of electric fields to the atomistic simulations. In Vacuum Nanoelectronics Conference (IVNC), 2016 29th International (pp. 1-2). IEEE.&lt;br /&gt;
#Veske, M., Parviainen, S., Zadin, V., Aabloo, A. and Djurabekova, F., 2016. Electrodynamics—molecular dynamics simulations of the stability of Cu nanotips under high electric field. Journal of Physics D: Applied Physics, 49(21), p.215301.&lt;br /&gt;
#Vigonski, S., Veske, M., Aabloo, A., Djurabekova, F. and Zadin, V., 2015. Verification of a multiscale surface stress model near voids in copper under the load induced by external high electric field. Applied Mathematics and Computation, 267, pp.476-486.&lt;br /&gt;
#Zadin, V., Kasemägi, H., Valdna, V., Vigonski, S., Veske, M. and Aabloo, A., 2015. Application of multiphysics and multiscale simulations to optimize industrial wood drying kilns. Applied Mathematics and Computation, 267, pp.465-475.&lt;br /&gt;
#Eimre, K., Parviainen, S., Aabloo, A., Djurabekova, F. and Zadin, V., 2015. Application of the general thermal field model to simulate the behaviour of nanoscale Cu field emitters. Journal of Applied Physics, 118(3), p.033303.&lt;br /&gt;
#Vigonski, S., Djurabekova, F., Veske, M., Aabloo, A. and Zadin, V., 2015. Molecular dynamics simulations of near-surface Fe precipitates in Cu under high electric fields. Modelling and Simulation in Materials Science and Engineering, 23(2), p.025009.&lt;br /&gt;
#Zadin, V., Krasheninnikov, A.V., Djurabekova, F. and Nordlund, K., 2015. Simulations of electromechanical shape transformations of Au nanoparticles. physica status solidi (b), 252(1), pp.144-148.&lt;br /&gt;
#Zadin, V., Pohjonen, A., Aabloo, A., Nordlund, K. and Djurabekova, F., 2014. Electrostatic-elastoplastic simulations of copper surface under high electric fields. Physical Review Special Topics-Accelerators and Beams, 17(10), p.103501.&lt;br /&gt;
#Zadin, V., Brandell, D., Kasemägi, H., Lellep, J. and Aabloo, A., 2013. Designing the 3D-microbattery geometry using the level-set method. Journal of Power Sources, 244, pp.417-428.&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
==Defended theses==&lt;br /&gt;
&lt;br /&gt;
=== Masters Theses ===&lt;br /&gt;
* Kristjan Eimre&lt;br /&gt;
* Kristian Kuppart&lt;br /&gt;
* Robert Aare&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
=== Bachelor's theses ===&lt;br /&gt;
&lt;br /&gt;
* [[Kristjan Eimre - title]]&lt;br /&gt;
* [[Kristian Kuppart - title]]&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;/div&gt;</summary>
		<author><name>Vahur</name></author>
	</entry>
	<entry>
		<id>https://ims.ut.ee/index.php?title=Computational_Materials&amp;diff=21371</id>
		<title>Computational Materials</title>
		<link rel="alternate" type="text/html" href="https://ims.ut.ee/index.php?title=Computational_Materials&amp;diff=21371"/>
		<updated>2019-11-20T11:33:57Z</updated>

		<summary type="html">&lt;p&gt;Vahur: /* Image gallery */&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;== Our vision, goal and what we do ==&lt;br /&gt;
&lt;br /&gt;
[[File:multiscale.png|200px|thumb|right| Simulations heat transfer and mechanical stress of FCC metal in multiscale framework.]]&lt;br /&gt;
&lt;br /&gt;
Computer simulations are some of the most fascinating tools made available due to the development of modern computational technology. Simulations in physics, chemistry, materials science, engineering etc. allow us to obtain detailed information of the phenomena of interest and provide often complete 3D and time dependent information of quantities like electromagnetic fields, temperature, forces and mechanical stresses, deformations. Such information leads to deep insights and understanding of nature around us, opening ways to understand complex physical and chemical processes and to the development of novel technologies and applications.&lt;br /&gt;
&lt;br /&gt;
The simulation activities conducted in the lab involve all levels from atomistic to macroscopic (DFT -&amp;gt; Molecular Dynamics -&amp;gt; Monter Carlo -&amp;gt; Finite Elements), including combinations of these methods i.e. multi scale simulations. The core capacity involves both, computational studies of materials and development of new methodology. &lt;br /&gt;
&lt;br /&gt;
Some examples of applications:&lt;br /&gt;
&lt;br /&gt;
* Mechanics&lt;br /&gt;
* CFD (turbulent &amp;amp; laminar)  &lt;br /&gt;
* Heat transport&lt;br /&gt;
* Electric and magnetic fields&lt;br /&gt;
* Chemical reactions&lt;br /&gt;
* Acoustics&lt;br /&gt;
* Multiphysics combinations of these phenomena!&lt;br /&gt;
&lt;br /&gt;
=== Image gallery ===&lt;br /&gt;
&lt;br /&gt;
&amp;lt;gallery mode=&amp;quot;packed-hover&amp;quot;&amp;gt;&lt;br /&gt;
file:multiscale.png|''Multiscaling with FEM in nano-contact''&lt;br /&gt;
file:strainsfinal_facebook.jpg|&amp;quot;Shear strain field around nanovoid in MD and FEM&amp;quot;&lt;br /&gt;
file:tension2.gif|&amp;quot;Animation of stress and deformation in Cu during tensile testing&amp;quot;&lt;br /&gt;
File:Foam Graphical abstract.tiff.tif|&amp;quot;Ionic transport in 3D microbattery&amp;quot;&lt;br /&gt;
&amp;lt;/gallery&amp;gt;&lt;br /&gt;
&lt;br /&gt;
=== Tools we use ===&lt;br /&gt;
* Comsol Multiphysics  [https://www.comsol.com/]&lt;br /&gt;
* LAMMPS [http://lammps.sandia.gov/]&lt;br /&gt;
* DEAL.II open source finite element library [http://dealii.org/]&lt;br /&gt;
* OpenFOAM CFD [https://www.openfoam.com/]&lt;br /&gt;
* FEMOCS (https://github.com/veskem/femocs)&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
== Research Projects ==&lt;br /&gt;
=== Ongoing Activities ===&lt;br /&gt;
* [[PUT 1372 - Mechanisms of vacuum arching in high electric field systems]]&lt;br /&gt;
&lt;br /&gt;
=== Ongoing PhD Projects ===&lt;br /&gt;
* [[Computer assisted design and development of tailored nanostructures]]&lt;br /&gt;
&lt;br /&gt;
=== Glory and Success ===&lt;br /&gt;
* [[PUT 57 - Multiscale simulations of dislocation generation in rf electric fields in the linear accelerator design (01.01.2013 - 31.12.2016)]]&lt;br /&gt;
* [[ETF 9216 - Development and optimization of 3D-microbatteries (01.01.2012-31.21.2015)]]&lt;br /&gt;
&lt;br /&gt;
=== Student projects  ===&lt;br /&gt;
* [[Materjalidefektide simuleerimine kõrgetes elektriväljades]]&lt;br /&gt;
* [[Järgmise generatsiooni bioreaktorid]]&lt;br /&gt;
* [[Ehitiste konstruktsioonielementide multiskaala mudelite arendamine]]&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
== Members ==&lt;br /&gt;
&lt;br /&gt;
{{Team|&lt;br /&gt;
{{TeamMember|Vahur|Vahur Zadin|senior researcher (finite element modelling, molecular dynamics, high electric fields, CERN))}}&lt;br /&gt;
{{TeamMember|Tarmo|Tarmo Tamm|seniour researcher}}&lt;br /&gt;
{{TeamMember|Heiki|Heiki Kasemägi|senior researcher (ion-conducting polymer, computer simulations) &amp;amp; Computer engineering study programme manager}}&lt;br /&gt;
{{TeamMember|Alvo|Alvo Aabloo| professor, head of the IMS lab}}&lt;br /&gt;
{{TeamMember|Kristiankuppart|Kristian Kuppart|PhD student (MD in high electric fields)}}&lt;br /&gt;
{{TeamMember|Faiza|Faiza Summer|PhD student (Flow-capacitor)}}&lt;br /&gt;
{{TeamMember|Ats.aasmaa|Ats Aasmaa|student (modelling of microbatteries)}}&lt;br /&gt;
{{TeamMember|Mihkel.Veske|Mihkel Veske|in Helsinki University}}&lt;br /&gt;
{{TeamMember|ye.wang|Ye Wang|PhD student (Design and development of tailored nanostructures)}}&lt;br /&gt;
}}&lt;br /&gt;
&lt;br /&gt;
=== Friends and collaborators ===&lt;br /&gt;
&lt;br /&gt;
* Flyura Djurabekova (Helsinki University)&lt;br /&gt;
* Ville Jansson (Helsinki University)&lt;br /&gt;
* Walter Wuench (CERN)&lt;br /&gt;
* Daniel Brandell (Uppsala University)&lt;br /&gt;
* Sergei Vlassov (UT, Institute of Physics)&lt;br /&gt;
&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
==Publications==&lt;br /&gt;
(All references in Harvard style from Google Scholar)&lt;br /&gt;
&lt;br /&gt;
# [[Data sets of migration barriers for atomistic Kinetic Monte Carlo simulations of Cu self-diffusion via first nearest neighbour atomic jumps. Data in Brief, 17, pp.739-743|Baibuz, E., Vigonski, S., Lahtinen, J., Zhao, J., Jansson, V., Zadin, V. and Djurabekova, F., 2018. Data sets of migration barriers for atomistic Kinetic Monte Carlo simulations of Cu self-diffusion via first nearest neighbour atomic jumps. Data in Brief, 17, pp.739-743]]&lt;br /&gt;
# Zadin, V., Veske, M., Vigonski, S., Jansson, V., Muszynski, J., Parviainen, S., Aabloo, A. and Djurabekova, F., 2018. Simulations of surface stress effects in nanoscale single crystals. Modelling and Simulation in Materials Science and Engineering.&lt;br /&gt;
# Metspalu, T., Jansson, V., Zadin, V., Avchaciov, K., Nordlund, K., Aabloo, A. and Djurabekova, F., 2018. Cu self-sputtering MD simulations for 0.1–5 keV ions at elevated temperatures. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 415, pp.31-40.&lt;br /&gt;
# Vigonski, S., Jansson, V., Vlassov, S., Polyakov, B., Baibuz, E., Oras, S., Aabloo, A., Djurabekova, F. and Zadin, V., 2017. Au nanowire junction breakup through surface atom diffusion. Nanotechnology, 29(1), p.015704.&lt;br /&gt;
#Kyritsakis, A., Veske, M., Eimre, K., Zadin, V. and Djurabekova, F., 2017. Thermal runaway and evaporation of metal nano-tips during intense electron emission. arXiv preprint arXiv:1710.00050.&lt;br /&gt;
#Priimägi, P., Kasemägi, H., Aabloo, A., Brandell, D. and Zadin, V., 2017. Thermal Simulations of Polymer Electrolyte 3D Li-Microbatteries. Electrochimica Acta, 244, pp.129-138.&lt;br /&gt;
#Baibuz, E., Vigonski, S., Lahtinen, J., Zhao, J., Jansson, V., Zadin, V. and Djurabekova, F., 2017. Migration barriers for surface diffusion on a rigid lattice: challenges and solutions. arXiv preprint arXiv:1707.05765.&lt;br /&gt;
#Veske, M., Kyritsakis, A., Eimre, K., Zadin, V., Aabloo, A. and Djurabekova, F., 2017. Dynamic coupling of a finite element solver to large-scale atomistic simulations. arXiv preprint arXiv:1706.09661.&lt;br /&gt;
#Yanagisawa, H., Zadin, V., Kunze, K., Hafner, C., Aabloo, A., Kim, D.E., Kling, M.F., Djurabekova, F., Osterwalder, J. and Wuensch, W., 2016. Laser-induced asymmetric faceting and growth of a nano-protrusion on a tungsten tip. APL Photonics, 1(9), p.091305.&lt;br /&gt;
#Mets, M., Antsov, M., Zadin, V., Dorogin, L.M., Aabloo, A., Polyakov, B., Lõhmus, R. and Vlassov, S., 2016. Structural factor in bending testing of fivefold twinned nanowires revealed by finite element analysis. Physica Scripta, 91(11), p.115701.&lt;br /&gt;
#CLIC, T., Boland, M.J., Felzmann, U., Giansiracusa, P.J., Lucas, T.G., Rassool, R.P., Balazs, C., Charles, T.K., Afanaciev, K., Emeliantchik, I. and Ignatenko, A., 2016. Updated baseline for a staged Compact Linear Collider. arXiv preprint arXiv:1608.07537.&lt;br /&gt;
#Priimägi, P., Brandell, D., Srivastav, S., Aabloo, A., Kasemägi, H. and Zadin, V., 2016. Optimizing the design of 3D-pillar microbatteries using finite element modelling. Electrochimica Acta, 209, pp.138-148.&lt;br /&gt;
#Veske, M., Kyritsakis, A., Djurabekova, F., Aare, R., Eimre, K. and Zadin, V., 2016, July. Atomistic modeling of metal surfaces under high electric fields: Direct coupling of electric fields to the atomistic simulations. In Vacuum Nanoelectronics Conference (IVNC), 2016 29th International (pp. 1-2). IEEE.&lt;br /&gt;
#Veske, M., Parviainen, S., Zadin, V., Aabloo, A. and Djurabekova, F., 2016. Electrodynamics—molecular dynamics simulations of the stability of Cu nanotips under high electric field. Journal of Physics D: Applied Physics, 49(21), p.215301.&lt;br /&gt;
#Vigonski, S., Veske, M., Aabloo, A., Djurabekova, F. and Zadin, V., 2015. Verification of a multiscale surface stress model near voids in copper under the load induced by external high electric field. Applied Mathematics and Computation, 267, pp.476-486.&lt;br /&gt;
#Zadin, V., Kasemägi, H., Valdna, V., Vigonski, S., Veske, M. and Aabloo, A., 2015. Application of multiphysics and multiscale simulations to optimize industrial wood drying kilns. Applied Mathematics and Computation, 267, pp.465-475.&lt;br /&gt;
#Eimre, K., Parviainen, S., Aabloo, A., Djurabekova, F. and Zadin, V., 2015. Application of the general thermal field model to simulate the behaviour of nanoscale Cu field emitters. Journal of Applied Physics, 118(3), p.033303.&lt;br /&gt;
#Vigonski, S., Djurabekova, F., Veske, M., Aabloo, A. and Zadin, V., 2015. Molecular dynamics simulations of near-surface Fe precipitates in Cu under high electric fields. Modelling and Simulation in Materials Science and Engineering, 23(2), p.025009.&lt;br /&gt;
#Zadin, V., Krasheninnikov, A.V., Djurabekova, F. and Nordlund, K., 2015. Simulations of electromechanical shape transformations of Au nanoparticles. physica status solidi (b), 252(1), pp.144-148.&lt;br /&gt;
#Zadin, V., Pohjonen, A., Aabloo, A., Nordlund, K. and Djurabekova, F., 2014. Electrostatic-elastoplastic simulations of copper surface under high electric fields. Physical Review Special Topics-Accelerators and Beams, 17(10), p.103501.&lt;br /&gt;
#Zadin, V., Brandell, D., Kasemägi, H., Lellep, J. and Aabloo, A., 2013. Designing the 3D-microbattery geometry using the level-set method. Journal of Power Sources, 244, pp.417-428.&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
==Defended theses==&lt;br /&gt;
&lt;br /&gt;
=== Masters Theses ===&lt;br /&gt;
* Kristjan Eimre&lt;br /&gt;
* Kristian Kuppart&lt;br /&gt;
* Robert Aare&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
=== Bachelor's theses ===&lt;br /&gt;
&lt;br /&gt;
* [[Kristjan Eimre - title]]&lt;br /&gt;
* [[Kristian Kuppart - title]]&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;/div&gt;</summary>
		<author><name>Vahur</name></author>
	</entry>
	<entry>
		<id>https://ims.ut.ee/index.php?title=File:Foam_Graphical_abstract.tiff.tif&amp;diff=21370</id>
		<title>File:Foam Graphical abstract.tiff.tif</title>
		<link rel="alternate" type="text/html" href="https://ims.ut.ee/index.php?title=File:Foam_Graphical_abstract.tiff.tif&amp;diff=21370"/>
		<updated>2019-11-20T11:32:50Z</updated>

		<summary type="html">&lt;p&gt;Vahur: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;Ionic transport in 3D-microbattery foam type geometry.&lt;/div&gt;</summary>
		<author><name>Vahur</name></author>
	</entry>
	<entry>
		<id>https://ims.ut.ee/index.php?title=Computational_Materials&amp;diff=21369</id>
		<title>Computational Materials</title>
		<link rel="alternate" type="text/html" href="https://ims.ut.ee/index.php?title=Computational_Materials&amp;diff=21369"/>
		<updated>2019-11-20T09:36:25Z</updated>

		<summary type="html">&lt;p&gt;Vahur: /* Members */&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;== Our vision, goal and what we do ==&lt;br /&gt;
&lt;br /&gt;
[[File:multiscale.png|200px|thumb|right| Simulations heat transfer and mechanical stress of FCC metal in multiscale framework.]]&lt;br /&gt;
&lt;br /&gt;
Computer simulations are some of the most fascinating tools made available due to the development of modern computational technology. Simulations in physics, chemistry, materials science, engineering etc. allow us to obtain detailed information of the phenomena of interest and provide often complete 3D and time dependent information of quantities like electromagnetic fields, temperature, forces and mechanical stresses, deformations. Such information leads to deep insights and understanding of nature around us, opening ways to understand complex physical and chemical processes and to the development of novel technologies and applications.&lt;br /&gt;
&lt;br /&gt;
The simulation activities conducted in the lab involve all levels from atomistic to macroscopic (DFT -&amp;gt; Molecular Dynamics -&amp;gt; Monter Carlo -&amp;gt; Finite Elements), including combinations of these methods i.e. multi scale simulations. The core capacity involves both, computational studies of materials and development of new methodology. &lt;br /&gt;
&lt;br /&gt;
Some examples of applications:&lt;br /&gt;
&lt;br /&gt;
* Mechanics&lt;br /&gt;
* CFD (turbulent &amp;amp; laminar)  &lt;br /&gt;
* Heat transport&lt;br /&gt;
* Electric and magnetic fields&lt;br /&gt;
* Chemical reactions&lt;br /&gt;
* Acoustics&lt;br /&gt;
* Multiphysics combinations of these phenomena!&lt;br /&gt;
&lt;br /&gt;
=== Image gallery ===&lt;br /&gt;
&lt;br /&gt;
&amp;lt;gallery mode=&amp;quot;packed-hover&amp;quot;&amp;gt;&lt;br /&gt;
file:multiscale.png|''Multiscaling with FEM in nano-contact''&lt;br /&gt;
file:strainsfinal_facebook.jpg|&amp;quot;Shear strain field around nanovoid in MD and FEM&amp;quot;&lt;br /&gt;
file:tension2.gif|&amp;quot;Animation of stress and deformation in Cu during tensile testing&amp;quot;&lt;br /&gt;
&lt;br /&gt;
&amp;lt;/gallery&amp;gt;&lt;br /&gt;
&lt;br /&gt;
=== Tools we use ===&lt;br /&gt;
* Comsol Multiphysics  [https://www.comsol.com/]&lt;br /&gt;
* LAMMPS [http://lammps.sandia.gov/]&lt;br /&gt;
* DEAL.II open source finite element library [http://dealii.org/]&lt;br /&gt;
* OpenFOAM CFD [https://www.openfoam.com/]&lt;br /&gt;
* FEMOCS (https://github.com/veskem/femocs)&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
== Research Projects ==&lt;br /&gt;
=== Ongoing Activities ===&lt;br /&gt;
* [[PUT 1372 - Mechanisms of vacuum arching in high electric field systems]]&lt;br /&gt;
&lt;br /&gt;
=== Ongoing PhD Projects ===&lt;br /&gt;
* [[Computer assisted design and development of tailored nanostructures]]&lt;br /&gt;
&lt;br /&gt;
=== Glory and Success ===&lt;br /&gt;
* [[PUT 57 - Multiscale simulations of dislocation generation in rf electric fields in the linear accelerator design (01.01.2013 - 31.12.2016)]]&lt;br /&gt;
* [[ETF 9216 - Development and optimization of 3D-microbatteries (01.01.2012-31.21.2015)]]&lt;br /&gt;
&lt;br /&gt;
=== Student projects  ===&lt;br /&gt;
* [[Materjalidefektide simuleerimine kõrgetes elektriväljades]]&lt;br /&gt;
* [[Järgmise generatsiooni bioreaktorid]]&lt;br /&gt;
* [[Ehitiste konstruktsioonielementide multiskaala mudelite arendamine]]&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
== Members ==&lt;br /&gt;
&lt;br /&gt;
{{Team|&lt;br /&gt;
{{TeamMember|Vahur|Vahur Zadin|senior researcher (finite element modelling, molecular dynamics, high electric fields, CERN))}}&lt;br /&gt;
{{TeamMember|Tarmo|Tarmo Tamm|seniour researcher}}&lt;br /&gt;
{{TeamMember|Heiki|Heiki Kasemägi|senior researcher (ion-conducting polymer, computer simulations) &amp;amp; Computer engineering study programme manager}}&lt;br /&gt;
{{TeamMember|Alvo|Alvo Aabloo| professor, head of the IMS lab}}&lt;br /&gt;
{{TeamMember|Kristiankuppart|Kristian Kuppart|PhD student (MD in high electric fields)}}&lt;br /&gt;
{{TeamMember|Faiza|Faiza Summer|PhD student (Flow-capacitor)}}&lt;br /&gt;
{{TeamMember|Ats.aasmaa|Ats Aasmaa|student (modelling of microbatteries)}}&lt;br /&gt;
{{TeamMember|Mihkel.Veske|Mihkel Veske|in Helsinki University}}&lt;br /&gt;
{{TeamMember|ye.wang|Ye Wang|PhD student (Design and development of tailored nanostructures)}}&lt;br /&gt;
}}&lt;br /&gt;
&lt;br /&gt;
=== Friends and collaborators ===&lt;br /&gt;
&lt;br /&gt;
* Flyura Djurabekova (Helsinki University)&lt;br /&gt;
* Ville Jansson (Helsinki University)&lt;br /&gt;
* Walter Wuench (CERN)&lt;br /&gt;
* Daniel Brandell (Uppsala University)&lt;br /&gt;
* Sergei Vlassov (UT, Institute of Physics)&lt;br /&gt;
&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
==Publications==&lt;br /&gt;
(All references in Harvard style from Google Scholar)&lt;br /&gt;
&lt;br /&gt;
# [[Data sets of migration barriers for atomistic Kinetic Monte Carlo simulations of Cu self-diffusion via first nearest neighbour atomic jumps. Data in Brief, 17, pp.739-743|Baibuz, E., Vigonski, S., Lahtinen, J., Zhao, J., Jansson, V., Zadin, V. and Djurabekova, F., 2018. Data sets of migration barriers for atomistic Kinetic Monte Carlo simulations of Cu self-diffusion via first nearest neighbour atomic jumps. Data in Brief, 17, pp.739-743]]&lt;br /&gt;
# Zadin, V., Veske, M., Vigonski, S., Jansson, V., Muszynski, J., Parviainen, S., Aabloo, A. and Djurabekova, F., 2018. Simulations of surface stress effects in nanoscale single crystals. Modelling and Simulation in Materials Science and Engineering.&lt;br /&gt;
# Metspalu, T., Jansson, V., Zadin, V., Avchaciov, K., Nordlund, K., Aabloo, A. and Djurabekova, F., 2018. Cu self-sputtering MD simulations for 0.1–5 keV ions at elevated temperatures. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 415, pp.31-40.&lt;br /&gt;
# Vigonski, S., Jansson, V., Vlassov, S., Polyakov, B., Baibuz, E., Oras, S., Aabloo, A., Djurabekova, F. and Zadin, V., 2017. Au nanowire junction breakup through surface atom diffusion. Nanotechnology, 29(1), p.015704.&lt;br /&gt;
#Kyritsakis, A., Veske, M., Eimre, K., Zadin, V. and Djurabekova, F., 2017. Thermal runaway and evaporation of metal nano-tips during intense electron emission. arXiv preprint arXiv:1710.00050.&lt;br /&gt;
#Priimägi, P., Kasemägi, H., Aabloo, A., Brandell, D. and Zadin, V., 2017. Thermal Simulations of Polymer Electrolyte 3D Li-Microbatteries. Electrochimica Acta, 244, pp.129-138.&lt;br /&gt;
#Baibuz, E., Vigonski, S., Lahtinen, J., Zhao, J., Jansson, V., Zadin, V. and Djurabekova, F., 2017. Migration barriers for surface diffusion on a rigid lattice: challenges and solutions. arXiv preprint arXiv:1707.05765.&lt;br /&gt;
#Veske, M., Kyritsakis, A., Eimre, K., Zadin, V., Aabloo, A. and Djurabekova, F., 2017. Dynamic coupling of a finite element solver to large-scale atomistic simulations. arXiv preprint arXiv:1706.09661.&lt;br /&gt;
#Yanagisawa, H., Zadin, V., Kunze, K., Hafner, C., Aabloo, A., Kim, D.E., Kling, M.F., Djurabekova, F., Osterwalder, J. and Wuensch, W., 2016. Laser-induced asymmetric faceting and growth of a nano-protrusion on a tungsten tip. APL Photonics, 1(9), p.091305.&lt;br /&gt;
#Mets, M., Antsov, M., Zadin, V., Dorogin, L.M., Aabloo, A., Polyakov, B., Lõhmus, R. and Vlassov, S., 2016. Structural factor in bending testing of fivefold twinned nanowires revealed by finite element analysis. Physica Scripta, 91(11), p.115701.&lt;br /&gt;
#CLIC, T., Boland, M.J., Felzmann, U., Giansiracusa, P.J., Lucas, T.G., Rassool, R.P., Balazs, C., Charles, T.K., Afanaciev, K., Emeliantchik, I. and Ignatenko, A., 2016. Updated baseline for a staged Compact Linear Collider. arXiv preprint arXiv:1608.07537.&lt;br /&gt;
#Priimägi, P., Brandell, D., Srivastav, S., Aabloo, A., Kasemägi, H. and Zadin, V., 2016. Optimizing the design of 3D-pillar microbatteries using finite element modelling. Electrochimica Acta, 209, pp.138-148.&lt;br /&gt;
#Veske, M., Kyritsakis, A., Djurabekova, F., Aare, R., Eimre, K. and Zadin, V., 2016, July. Atomistic modeling of metal surfaces under high electric fields: Direct coupling of electric fields to the atomistic simulations. In Vacuum Nanoelectronics Conference (IVNC), 2016 29th International (pp. 1-2). IEEE.&lt;br /&gt;
#Veske, M., Parviainen, S., Zadin, V., Aabloo, A. and Djurabekova, F., 2016. Electrodynamics—molecular dynamics simulations of the stability of Cu nanotips under high electric field. Journal of Physics D: Applied Physics, 49(21), p.215301.&lt;br /&gt;
#Vigonski, S., Veske, M., Aabloo, A., Djurabekova, F. and Zadin, V., 2015. Verification of a multiscale surface stress model near voids in copper under the load induced by external high electric field. Applied Mathematics and Computation, 267, pp.476-486.&lt;br /&gt;
#Zadin, V., Kasemägi, H., Valdna, V., Vigonski, S., Veske, M. and Aabloo, A., 2015. Application of multiphysics and multiscale simulations to optimize industrial wood drying kilns. Applied Mathematics and Computation, 267, pp.465-475.&lt;br /&gt;
#Eimre, K., Parviainen, S., Aabloo, A., Djurabekova, F. and Zadin, V., 2015. Application of the general thermal field model to simulate the behaviour of nanoscale Cu field emitters. Journal of Applied Physics, 118(3), p.033303.&lt;br /&gt;
#Vigonski, S., Djurabekova, F., Veske, M., Aabloo, A. and Zadin, V., 2015. Molecular dynamics simulations of near-surface Fe precipitates in Cu under high electric fields. Modelling and Simulation in Materials Science and Engineering, 23(2), p.025009.&lt;br /&gt;
#Zadin, V., Krasheninnikov, A.V., Djurabekova, F. and Nordlund, K., 2015. Simulations of electromechanical shape transformations of Au nanoparticles. physica status solidi (b), 252(1), pp.144-148.&lt;br /&gt;
#Zadin, V., Pohjonen, A., Aabloo, A., Nordlund, K. and Djurabekova, F., 2014. Electrostatic-elastoplastic simulations of copper surface under high electric fields. Physical Review Special Topics-Accelerators and Beams, 17(10), p.103501.&lt;br /&gt;
#Zadin, V., Brandell, D., Kasemägi, H., Lellep, J. and Aabloo, A., 2013. Designing the 3D-microbattery geometry using the level-set method. Journal of Power Sources, 244, pp.417-428.&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
==Defended theses==&lt;br /&gt;
&lt;br /&gt;
=== Masters Theses ===&lt;br /&gt;
* Kristjan Eimre&lt;br /&gt;
* Kristian Kuppart&lt;br /&gt;
* Robert Aare&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
=== Bachelor's theses ===&lt;br /&gt;
&lt;br /&gt;
* [[Kristjan Eimre - title]]&lt;br /&gt;
* [[Kristian Kuppart - title]]&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;/div&gt;</summary>
		<author><name>Vahur</name></author>
	</entry>
	<entry>
		<id>https://ims.ut.ee/index.php?title=Computational_Materials&amp;diff=21368</id>
		<title>Computational Materials</title>
		<link rel="alternate" type="text/html" href="https://ims.ut.ee/index.php?title=Computational_Materials&amp;diff=21368"/>
		<updated>2019-11-20T09:34:28Z</updated>

		<summary type="html">&lt;p&gt;Vahur: /* Members */&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;== Our vision, goal and what we do ==&lt;br /&gt;
&lt;br /&gt;
[[File:multiscale.png|200px|thumb|right| Simulations heat transfer and mechanical stress of FCC metal in multiscale framework.]]&lt;br /&gt;
&lt;br /&gt;
Computer simulations are some of the most fascinating tools made available due to the development of modern computational technology. Simulations in physics, chemistry, materials science, engineering etc. allow us to obtain detailed information of the phenomena of interest and provide often complete 3D and time dependent information of quantities like electromagnetic fields, temperature, forces and mechanical stresses, deformations. Such information leads to deep insights and understanding of nature around us, opening ways to understand complex physical and chemical processes and to the development of novel technologies and applications.&lt;br /&gt;
&lt;br /&gt;
The simulation activities conducted in the lab involve all levels from atomistic to macroscopic (DFT -&amp;gt; Molecular Dynamics -&amp;gt; Monter Carlo -&amp;gt; Finite Elements), including combinations of these methods i.e. multi scale simulations. The core capacity involves both, computational studies of materials and development of new methodology. &lt;br /&gt;
&lt;br /&gt;
Some examples of applications:&lt;br /&gt;
&lt;br /&gt;
* Mechanics&lt;br /&gt;
* CFD (turbulent &amp;amp; laminar)  &lt;br /&gt;
* Heat transport&lt;br /&gt;
* Electric and magnetic fields&lt;br /&gt;
* Chemical reactions&lt;br /&gt;
* Acoustics&lt;br /&gt;
* Multiphysics combinations of these phenomena!&lt;br /&gt;
&lt;br /&gt;
=== Image gallery ===&lt;br /&gt;
&lt;br /&gt;
&amp;lt;gallery mode=&amp;quot;packed-hover&amp;quot;&amp;gt;&lt;br /&gt;
file:multiscale.png|''Multiscaling with FEM in nano-contact''&lt;br /&gt;
file:strainsfinal_facebook.jpg|&amp;quot;Shear strain field around nanovoid in MD and FEM&amp;quot;&lt;br /&gt;
file:tension2.gif|&amp;quot;Animation of stress and deformation in Cu during tensile testing&amp;quot;&lt;br /&gt;
&lt;br /&gt;
&amp;lt;/gallery&amp;gt;&lt;br /&gt;
&lt;br /&gt;
=== Tools we use ===&lt;br /&gt;
* Comsol Multiphysics  [https://www.comsol.com/]&lt;br /&gt;
* LAMMPS [http://lammps.sandia.gov/]&lt;br /&gt;
* DEAL.II open source finite element library [http://dealii.org/]&lt;br /&gt;
* OpenFOAM CFD [https://www.openfoam.com/]&lt;br /&gt;
* FEMOCS (https://github.com/veskem/femocs)&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
== Research Projects ==&lt;br /&gt;
=== Ongoing Activities ===&lt;br /&gt;
* [[PUT 1372 - Mechanisms of vacuum arching in high electric field systems]]&lt;br /&gt;
&lt;br /&gt;
=== Ongoing PhD Projects ===&lt;br /&gt;
* [[Computer assisted design and development of tailored nanostructures]]&lt;br /&gt;
&lt;br /&gt;
=== Glory and Success ===&lt;br /&gt;
* [[PUT 57 - Multiscale simulations of dislocation generation in rf electric fields in the linear accelerator design (01.01.2013 - 31.12.2016)]]&lt;br /&gt;
* [[ETF 9216 - Development and optimization of 3D-microbatteries (01.01.2012-31.21.2015)]]&lt;br /&gt;
&lt;br /&gt;
=== Student projects  ===&lt;br /&gt;
* [[Materjalidefektide simuleerimine kõrgetes elektriväljades]]&lt;br /&gt;
* [[Järgmise generatsiooni bioreaktorid]]&lt;br /&gt;
* [[Ehitiste konstruktsioonielementide multiskaala mudelite arendamine]]&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
== Members ==&lt;br /&gt;
&lt;br /&gt;
{{Team|&lt;br /&gt;
{{TeamMember|Vahur|Vahur Zadin|senior researcher (finite element modelling, molecular dynamics, high electric fields, CERN))}}&lt;br /&gt;
{{TeamMember|Tarmo|Tarmo Tamm|seniour researcher}}&lt;br /&gt;
{{TeamMember|Heiki|Heiki Kasemägi|senior researcher (ion-conducting polymer, computer simulations) &amp;amp; Computer engineering study programme manager}}&lt;br /&gt;
{{TeamMember|Alvo|Alvo Aabloo| professor, head of the IMS lab}}&lt;br /&gt;
{{TeamMember|Kristiankuppart|Kristian Kuppart|PhD student (MD in high electric fields)}}&lt;br /&gt;
{{TeamMember|Faiza|Faiza Summer|PhD student (Flow-capacitor)}}&lt;br /&gt;
{{TeamMember|Ats.aasmaa|Ats Aasmaa|student (modelling of microbatteries)}}&lt;br /&gt;
{{TeamMember|Mihkel.Veske|Mihkel Veske|in Helsinki University}}&lt;br /&gt;
{{TeamMember|Ye.Wang|Ye Wang|PhD student}}&lt;br /&gt;
}}&lt;br /&gt;
&lt;br /&gt;
=== Friends and collaborators ===&lt;br /&gt;
&lt;br /&gt;
* Flyura Djurabekova (Helsinki University)&lt;br /&gt;
* Ville Jansson (Helsinki University)&lt;br /&gt;
* Walter Wuench (CERN)&lt;br /&gt;
* Daniel Brandell (Uppsala University)&lt;br /&gt;
* Sergei Vlassov (UT, Institute of Physics)&lt;br /&gt;
&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
==Publications==&lt;br /&gt;
(All references in Harvard style from Google Scholar)&lt;br /&gt;
&lt;br /&gt;
# [[Data sets of migration barriers for atomistic Kinetic Monte Carlo simulations of Cu self-diffusion via first nearest neighbour atomic jumps. Data in Brief, 17, pp.739-743|Baibuz, E., Vigonski, S., Lahtinen, J., Zhao, J., Jansson, V., Zadin, V. and Djurabekova, F., 2018. Data sets of migration barriers for atomistic Kinetic Monte Carlo simulations of Cu self-diffusion via first nearest neighbour atomic jumps. Data in Brief, 17, pp.739-743]]&lt;br /&gt;
# Zadin, V., Veske, M., Vigonski, S., Jansson, V., Muszynski, J., Parviainen, S., Aabloo, A. and Djurabekova, F., 2018. Simulations of surface stress effects in nanoscale single crystals. Modelling and Simulation in Materials Science and Engineering.&lt;br /&gt;
# Metspalu, T., Jansson, V., Zadin, V., Avchaciov, K., Nordlund, K., Aabloo, A. and Djurabekova, F., 2018. Cu self-sputtering MD simulations for 0.1–5 keV ions at elevated temperatures. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 415, pp.31-40.&lt;br /&gt;
# Vigonski, S., Jansson, V., Vlassov, S., Polyakov, B., Baibuz, E., Oras, S., Aabloo, A., Djurabekova, F. and Zadin, V., 2017. Au nanowire junction breakup through surface atom diffusion. Nanotechnology, 29(1), p.015704.&lt;br /&gt;
#Kyritsakis, A., Veske, M., Eimre, K., Zadin, V. and Djurabekova, F., 2017. Thermal runaway and evaporation of metal nano-tips during intense electron emission. arXiv preprint arXiv:1710.00050.&lt;br /&gt;
#Priimägi, P., Kasemägi, H., Aabloo, A., Brandell, D. and Zadin, V., 2017. Thermal Simulations of Polymer Electrolyte 3D Li-Microbatteries. Electrochimica Acta, 244, pp.129-138.&lt;br /&gt;
#Baibuz, E., Vigonski, S., Lahtinen, J., Zhao, J., Jansson, V., Zadin, V. and Djurabekova, F., 2017. Migration barriers for surface diffusion on a rigid lattice: challenges and solutions. arXiv preprint arXiv:1707.05765.&lt;br /&gt;
#Veske, M., Kyritsakis, A., Eimre, K., Zadin, V., Aabloo, A. and Djurabekova, F., 2017. Dynamic coupling of a finite element solver to large-scale atomistic simulations. arXiv preprint arXiv:1706.09661.&lt;br /&gt;
#Yanagisawa, H., Zadin, V., Kunze, K., Hafner, C., Aabloo, A., Kim, D.E., Kling, M.F., Djurabekova, F., Osterwalder, J. and Wuensch, W., 2016. Laser-induced asymmetric faceting and growth of a nano-protrusion on a tungsten tip. APL Photonics, 1(9), p.091305.&lt;br /&gt;
#Mets, M., Antsov, M., Zadin, V., Dorogin, L.M., Aabloo, A., Polyakov, B., Lõhmus, R. and Vlassov, S., 2016. Structural factor in bending testing of fivefold twinned nanowires revealed by finite element analysis. Physica Scripta, 91(11), p.115701.&lt;br /&gt;
#CLIC, T., Boland, M.J., Felzmann, U., Giansiracusa, P.J., Lucas, T.G., Rassool, R.P., Balazs, C., Charles, T.K., Afanaciev, K., Emeliantchik, I. and Ignatenko, A., 2016. Updated baseline for a staged Compact Linear Collider. arXiv preprint arXiv:1608.07537.&lt;br /&gt;
#Priimägi, P., Brandell, D., Srivastav, S., Aabloo, A., Kasemägi, H. and Zadin, V., 2016. Optimizing the design of 3D-pillar microbatteries using finite element modelling. Electrochimica Acta, 209, pp.138-148.&lt;br /&gt;
#Veske, M., Kyritsakis, A., Djurabekova, F., Aare, R., Eimre, K. and Zadin, V., 2016, July. Atomistic modeling of metal surfaces under high electric fields: Direct coupling of electric fields to the atomistic simulations. In Vacuum Nanoelectronics Conference (IVNC), 2016 29th International (pp. 1-2). IEEE.&lt;br /&gt;
#Veske, M., Parviainen, S., Zadin, V., Aabloo, A. and Djurabekova, F., 2016. Electrodynamics—molecular dynamics simulations of the stability of Cu nanotips under high electric field. Journal of Physics D: Applied Physics, 49(21), p.215301.&lt;br /&gt;
#Vigonski, S., Veske, M., Aabloo, A., Djurabekova, F. and Zadin, V., 2015. Verification of a multiscale surface stress model near voids in copper under the load induced by external high electric field. Applied Mathematics and Computation, 267, pp.476-486.&lt;br /&gt;
#Zadin, V., Kasemägi, H., Valdna, V., Vigonski, S., Veske, M. and Aabloo, A., 2015. Application of multiphysics and multiscale simulations to optimize industrial wood drying kilns. Applied Mathematics and Computation, 267, pp.465-475.&lt;br /&gt;
#Eimre, K., Parviainen, S., Aabloo, A., Djurabekova, F. and Zadin, V., 2015. Application of the general thermal field model to simulate the behaviour of nanoscale Cu field emitters. Journal of Applied Physics, 118(3), p.033303.&lt;br /&gt;
#Vigonski, S., Djurabekova, F., Veske, M., Aabloo, A. and Zadin, V., 2015. Molecular dynamics simulations of near-surface Fe precipitates in Cu under high electric fields. Modelling and Simulation in Materials Science and Engineering, 23(2), p.025009.&lt;br /&gt;
#Zadin, V., Krasheninnikov, A.V., Djurabekova, F. and Nordlund, K., 2015. Simulations of electromechanical shape transformations of Au nanoparticles. physica status solidi (b), 252(1), pp.144-148.&lt;br /&gt;
#Zadin, V., Pohjonen, A., Aabloo, A., Nordlund, K. and Djurabekova, F., 2014. Electrostatic-elastoplastic simulations of copper surface under high electric fields. Physical Review Special Topics-Accelerators and Beams, 17(10), p.103501.&lt;br /&gt;
#Zadin, V., Brandell, D., Kasemägi, H., Lellep, J. and Aabloo, A., 2013. Designing the 3D-microbattery geometry using the level-set method. Journal of Power Sources, 244, pp.417-428.&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
==Defended theses==&lt;br /&gt;
&lt;br /&gt;
=== Masters Theses ===&lt;br /&gt;
* Kristjan Eimre&lt;br /&gt;
* Kristian Kuppart&lt;br /&gt;
* Robert Aare&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
=== Bachelor's theses ===&lt;br /&gt;
&lt;br /&gt;
* [[Kristjan Eimre - title]]&lt;br /&gt;
* [[Kristian Kuppart - title]]&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;/div&gt;</summary>
		<author><name>Vahur</name></author>
	</entry>
	<entry>
		<id>https://ims.ut.ee/index.php?title=Computer_assisted_design_and_development_of_tailored_nanostructures&amp;diff=21366</id>
		<title>Computer assisted design and development of tailored nanostructures</title>
		<link rel="alternate" type="text/html" href="https://ims.ut.ee/index.php?title=Computer_assisted_design_and_development_of_tailored_nanostructures&amp;diff=21366"/>
		<updated>2019-11-20T09:25:32Z</updated>

		<summary type="html">&lt;p&gt;Vahur: Created page with &amp;quot;The aim is to create framework for computer assisted design and study of nano- and microscale materials under extreme heterogeneous external conditions. We will use multiscale...&amp;quot;&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;The aim is to create framework for computer assisted design and study of nano- and microscale materials under extreme heterogeneous external conditions. We will use multiscale (ab initio, molecular dynamics, finite element analyses) computer aided design with bilateral verification from high resolution SEM data. Thus, it becomes possible to design materials at micro and nanoscale, to improve their properties and reach scientific and technological breakthroughs in problems such as electrical breakdowns in CLIC accelerator in CERN or different novel nanofabrication technologies.&lt;br /&gt;
&lt;br /&gt;
[[Secure: Project]]&lt;/div&gt;</summary>
		<author><name>Vahur</name></author>
	</entry>
	<entry>
		<id>https://ims.ut.ee/index.php?title=Computational_Materials&amp;diff=21365</id>
		<title>Computational Materials</title>
		<link rel="alternate" type="text/html" href="https://ims.ut.ee/index.php?title=Computational_Materials&amp;diff=21365"/>
		<updated>2019-11-20T09:19:01Z</updated>

		<summary type="html">&lt;p&gt;Vahur: /* Research Projects */&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;== Our vision, goal and what we do ==&lt;br /&gt;
&lt;br /&gt;
[[File:multiscale.png|200px|thumb|right| Simulations heat transfer and mechanical stress of FCC metal in multiscale framework.]]&lt;br /&gt;
&lt;br /&gt;
Computer simulations are some of the most fascinating tools made available due to the development of modern computational technology. Simulations in physics, chemistry, materials science, engineering etc. allow us to obtain detailed information of the phenomena of interest and provide often complete 3D and time dependent information of quantities like electromagnetic fields, temperature, forces and mechanical stresses, deformations. Such information leads to deep insights and understanding of nature around us, opening ways to understand complex physical and chemical processes and to the development of novel technologies and applications.&lt;br /&gt;
&lt;br /&gt;
The simulation activities conducted in the lab involve all levels from atomistic to macroscopic (DFT -&amp;gt; Molecular Dynamics -&amp;gt; Monter Carlo -&amp;gt; Finite Elements), including combinations of these methods i.e. multi scale simulations. The core capacity involves both, computational studies of materials and development of new methodology. &lt;br /&gt;
&lt;br /&gt;
Some examples of applications:&lt;br /&gt;
&lt;br /&gt;
* Mechanics&lt;br /&gt;
* CFD (turbulent &amp;amp; laminar)  &lt;br /&gt;
* Heat transport&lt;br /&gt;
* Electric and magnetic fields&lt;br /&gt;
* Chemical reactions&lt;br /&gt;
* Acoustics&lt;br /&gt;
* Multiphysics combinations of these phenomena!&lt;br /&gt;
&lt;br /&gt;
=== Image gallery ===&lt;br /&gt;
&lt;br /&gt;
&amp;lt;gallery mode=&amp;quot;packed-hover&amp;quot;&amp;gt;&lt;br /&gt;
file:multiscale.png|''Multiscaling with FEM in nano-contact''&lt;br /&gt;
file:strainsfinal_facebook.jpg|&amp;quot;Shear strain field around nanovoid in MD and FEM&amp;quot;&lt;br /&gt;
file:tension2.gif|&amp;quot;Animation of stress and deformation in Cu during tensile testing&amp;quot;&lt;br /&gt;
&lt;br /&gt;
&amp;lt;/gallery&amp;gt;&lt;br /&gt;
&lt;br /&gt;
=== Tools we use ===&lt;br /&gt;
* Comsol Multiphysics  [https://www.comsol.com/]&lt;br /&gt;
* LAMMPS [http://lammps.sandia.gov/]&lt;br /&gt;
* DEAL.II open source finite element library [http://dealii.org/]&lt;br /&gt;
* OpenFOAM CFD [https://www.openfoam.com/]&lt;br /&gt;
* FEMOCS (https://github.com/veskem/femocs)&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
== Research Projects ==&lt;br /&gt;
=== Ongoing Activities ===&lt;br /&gt;
* [[PUT 1372 - Mechanisms of vacuum arching in high electric field systems]]&lt;br /&gt;
&lt;br /&gt;
=== Ongoing PhD Projects ===&lt;br /&gt;
* [[Computer assisted design and development of tailored nanostructures]]&lt;br /&gt;
&lt;br /&gt;
=== Glory and Success ===&lt;br /&gt;
* [[PUT 57 - Multiscale simulations of dislocation generation in rf electric fields in the linear accelerator design (01.01.2013 - 31.12.2016)]]&lt;br /&gt;
* [[ETF 9216 - Development and optimization of 3D-microbatteries (01.01.2012-31.21.2015)]]&lt;br /&gt;
&lt;br /&gt;
=== Student projects  ===&lt;br /&gt;
* [[Materjalidefektide simuleerimine kõrgetes elektriväljades]]&lt;br /&gt;
* [[Järgmise generatsiooni bioreaktorid]]&lt;br /&gt;
* [[Ehitiste konstruktsioonielementide multiskaala mudelite arendamine]]&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
== Members ==&lt;br /&gt;
&lt;br /&gt;
{{Team|&lt;br /&gt;
{{TeamMember|Vahur|Vahur Zadin|senior researcher (finite element modelling, molecular dynamics, high electric fields, CERN))}}&lt;br /&gt;
{{TeamMember|Tarmo|Tarmo Tamm|seniour researcher}}&lt;br /&gt;
{{TeamMember|Heiki|Heiki Kasemägi|senior researcher (ion-conducting polymer, computer simulations) &amp;amp; Computer engineering study programme manager}}&lt;br /&gt;
{{TeamMember|Alvo|Alvo Aabloo| professor, head of the IMS lab}}&lt;br /&gt;
{{TeamMember|Kristiankuppart|Kristian Kuppart|PhD student (MD in high electric fields)}}&lt;br /&gt;
{{TeamMember|Faiza|Faiza Summer|PhD student (Flow-capacitor)}}&lt;br /&gt;
{{TeamMember|Ats.aasmaa|Ats Aasmaa|student (modelling of microbatteries)}}&lt;br /&gt;
{{TeamMember|Mihkel.Veske|Mihkel Veske|in Helsinki University}}&lt;br /&gt;
}}&lt;br /&gt;
&lt;br /&gt;
=== Friends and collaborators ===&lt;br /&gt;
&lt;br /&gt;
* Flyura Djurabekova (Helsinki University)&lt;br /&gt;
* Ville Jansson (Helsinki University)&lt;br /&gt;
* Walter Wuench (CERN)&lt;br /&gt;
* Daniel Brandell (Uppsala University)&lt;br /&gt;
* Sergei Vlassov (UT, Institute of Physics)&lt;br /&gt;
&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
==Publications==&lt;br /&gt;
(All references in Harvard style from Google Scholar)&lt;br /&gt;
&lt;br /&gt;
# [[Data sets of migration barriers for atomistic Kinetic Monte Carlo simulations of Cu self-diffusion via first nearest neighbour atomic jumps. Data in Brief, 17, pp.739-743|Baibuz, E., Vigonski, S., Lahtinen, J., Zhao, J., Jansson, V., Zadin, V. and Djurabekova, F., 2018. Data sets of migration barriers for atomistic Kinetic Monte Carlo simulations of Cu self-diffusion via first nearest neighbour atomic jumps. Data in Brief, 17, pp.739-743]]&lt;br /&gt;
# Zadin, V., Veske, M., Vigonski, S., Jansson, V., Muszynski, J., Parviainen, S., Aabloo, A. and Djurabekova, F., 2018. Simulations of surface stress effects in nanoscale single crystals. Modelling and Simulation in Materials Science and Engineering.&lt;br /&gt;
# Metspalu, T., Jansson, V., Zadin, V., Avchaciov, K., Nordlund, K., Aabloo, A. and Djurabekova, F., 2018. Cu self-sputtering MD simulations for 0.1–5 keV ions at elevated temperatures. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 415, pp.31-40.&lt;br /&gt;
# Vigonski, S., Jansson, V., Vlassov, S., Polyakov, B., Baibuz, E., Oras, S., Aabloo, A., Djurabekova, F. and Zadin, V., 2017. Au nanowire junction breakup through surface atom diffusion. Nanotechnology, 29(1), p.015704.&lt;br /&gt;
#Kyritsakis, A., Veske, M., Eimre, K., Zadin, V. and Djurabekova, F., 2017. Thermal runaway and evaporation of metal nano-tips during intense electron emission. arXiv preprint arXiv:1710.00050.&lt;br /&gt;
#Priimägi, P., Kasemägi, H., Aabloo, A., Brandell, D. and Zadin, V., 2017. Thermal Simulations of Polymer Electrolyte 3D Li-Microbatteries. Electrochimica Acta, 244, pp.129-138.&lt;br /&gt;
#Baibuz, E., Vigonski, S., Lahtinen, J., Zhao, J., Jansson, V., Zadin, V. and Djurabekova, F., 2017. Migration barriers for surface diffusion on a rigid lattice: challenges and solutions. arXiv preprint arXiv:1707.05765.&lt;br /&gt;
#Veske, M., Kyritsakis, A., Eimre, K., Zadin, V., Aabloo, A. and Djurabekova, F., 2017. Dynamic coupling of a finite element solver to large-scale atomistic simulations. arXiv preprint arXiv:1706.09661.&lt;br /&gt;
#Yanagisawa, H., Zadin, V., Kunze, K., Hafner, C., Aabloo, A., Kim, D.E., Kling, M.F., Djurabekova, F., Osterwalder, J. and Wuensch, W., 2016. Laser-induced asymmetric faceting and growth of a nano-protrusion on a tungsten tip. APL Photonics, 1(9), p.091305.&lt;br /&gt;
#Mets, M., Antsov, M., Zadin, V., Dorogin, L.M., Aabloo, A., Polyakov, B., Lõhmus, R. and Vlassov, S., 2016. Structural factor in bending testing of fivefold twinned nanowires revealed by finite element analysis. Physica Scripta, 91(11), p.115701.&lt;br /&gt;
#CLIC, T., Boland, M.J., Felzmann, U., Giansiracusa, P.J., Lucas, T.G., Rassool, R.P., Balazs, C., Charles, T.K., Afanaciev, K., Emeliantchik, I. and Ignatenko, A., 2016. Updated baseline for a staged Compact Linear Collider. arXiv preprint arXiv:1608.07537.&lt;br /&gt;
#Priimägi, P., Brandell, D., Srivastav, S., Aabloo, A., Kasemägi, H. and Zadin, V., 2016. Optimizing the design of 3D-pillar microbatteries using finite element modelling. Electrochimica Acta, 209, pp.138-148.&lt;br /&gt;
#Veske, M., Kyritsakis, A., Djurabekova, F., Aare, R., Eimre, K. and Zadin, V., 2016, July. Atomistic modeling of metal surfaces under high electric fields: Direct coupling of electric fields to the atomistic simulations. In Vacuum Nanoelectronics Conference (IVNC), 2016 29th International (pp. 1-2). IEEE.&lt;br /&gt;
#Veske, M., Parviainen, S., Zadin, V., Aabloo, A. and Djurabekova, F., 2016. Electrodynamics—molecular dynamics simulations of the stability of Cu nanotips under high electric field. Journal of Physics D: Applied Physics, 49(21), p.215301.&lt;br /&gt;
#Vigonski, S., Veske, M., Aabloo, A., Djurabekova, F. and Zadin, V., 2015. Verification of a multiscale surface stress model near voids in copper under the load induced by external high electric field. Applied Mathematics and Computation, 267, pp.476-486.&lt;br /&gt;
#Zadin, V., Kasemägi, H., Valdna, V., Vigonski, S., Veske, M. and Aabloo, A., 2015. Application of multiphysics and multiscale simulations to optimize industrial wood drying kilns. Applied Mathematics and Computation, 267, pp.465-475.&lt;br /&gt;
#Eimre, K., Parviainen, S., Aabloo, A., Djurabekova, F. and Zadin, V., 2015. Application of the general thermal field model to simulate the behaviour of nanoscale Cu field emitters. Journal of Applied Physics, 118(3), p.033303.&lt;br /&gt;
#Vigonski, S., Djurabekova, F., Veske, M., Aabloo, A. and Zadin, V., 2015. Molecular dynamics simulations of near-surface Fe precipitates in Cu under high electric fields. Modelling and Simulation in Materials Science and Engineering, 23(2), p.025009.&lt;br /&gt;
#Zadin, V., Krasheninnikov, A.V., Djurabekova, F. and Nordlund, K., 2015. Simulations of electromechanical shape transformations of Au nanoparticles. physica status solidi (b), 252(1), pp.144-148.&lt;br /&gt;
#Zadin, V., Pohjonen, A., Aabloo, A., Nordlund, K. and Djurabekova, F., 2014. Electrostatic-elastoplastic simulations of copper surface under high electric fields. Physical Review Special Topics-Accelerators and Beams, 17(10), p.103501.&lt;br /&gt;
#Zadin, V., Brandell, D., Kasemägi, H., Lellep, J. and Aabloo, A., 2013. Designing the 3D-microbattery geometry using the level-set method. Journal of Power Sources, 244, pp.417-428.&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
==Defended theses==&lt;br /&gt;
&lt;br /&gt;
=== Masters Theses ===&lt;br /&gt;
* Kristjan Eimre&lt;br /&gt;
* Kristian Kuppart&lt;br /&gt;
* Robert Aare&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
=== Bachelor's theses ===&lt;br /&gt;
&lt;br /&gt;
* [[Kristjan Eimre - title]]&lt;br /&gt;
* [[Kristian Kuppart - title]]&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;/div&gt;</summary>
		<author><name>Vahur</name></author>
	</entry>
	<entry>
		<id>https://ims.ut.ee/index.php?title=Computational_Materials&amp;diff=21364</id>
		<title>Computational Materials</title>
		<link rel="alternate" type="text/html" href="https://ims.ut.ee/index.php?title=Computational_Materials&amp;diff=21364"/>
		<updated>2019-11-20T09:18:17Z</updated>

		<summary type="html">&lt;p&gt;Vahur: /* Research Projects */&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;== Our vision, goal and what we do ==&lt;br /&gt;
&lt;br /&gt;
[[File:multiscale.png|200px|thumb|right| Simulations heat transfer and mechanical stress of FCC metal in multiscale framework.]]&lt;br /&gt;
&lt;br /&gt;
Computer simulations are some of the most fascinating tools made available due to the development of modern computational technology. Simulations in physics, chemistry, materials science, engineering etc. allow us to obtain detailed information of the phenomena of interest and provide often complete 3D and time dependent information of quantities like electromagnetic fields, temperature, forces and mechanical stresses, deformations. Such information leads to deep insights and understanding of nature around us, opening ways to understand complex physical and chemical processes and to the development of novel technologies and applications.&lt;br /&gt;
&lt;br /&gt;
The simulation activities conducted in the lab involve all levels from atomistic to macroscopic (DFT -&amp;gt; Molecular Dynamics -&amp;gt; Monter Carlo -&amp;gt; Finite Elements), including combinations of these methods i.e. multi scale simulations. The core capacity involves both, computational studies of materials and development of new methodology. &lt;br /&gt;
&lt;br /&gt;
Some examples of applications:&lt;br /&gt;
&lt;br /&gt;
* Mechanics&lt;br /&gt;
* CFD (turbulent &amp;amp; laminar)  &lt;br /&gt;
* Heat transport&lt;br /&gt;
* Electric and magnetic fields&lt;br /&gt;
* Chemical reactions&lt;br /&gt;
* Acoustics&lt;br /&gt;
* Multiphysics combinations of these phenomena!&lt;br /&gt;
&lt;br /&gt;
=== Image gallery ===&lt;br /&gt;
&lt;br /&gt;
&amp;lt;gallery mode=&amp;quot;packed-hover&amp;quot;&amp;gt;&lt;br /&gt;
file:multiscale.png|''Multiscaling with FEM in nano-contact''&lt;br /&gt;
file:strainsfinal_facebook.jpg|&amp;quot;Shear strain field around nanovoid in MD and FEM&amp;quot;&lt;br /&gt;
file:tension2.gif|&amp;quot;Animation of stress and deformation in Cu during tensile testing&amp;quot;&lt;br /&gt;
&lt;br /&gt;
&amp;lt;/gallery&amp;gt;&lt;br /&gt;
&lt;br /&gt;
=== Tools we use ===&lt;br /&gt;
* Comsol Multiphysics  [https://www.comsol.com/]&lt;br /&gt;
* LAMMPS [http://lammps.sandia.gov/]&lt;br /&gt;
* DEAL.II open source finite element library [http://dealii.org/]&lt;br /&gt;
* OpenFOAM CFD [https://www.openfoam.com/]&lt;br /&gt;
* FEMOCS (https://github.com/veskem/femocs)&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
== Research Projects ==&lt;br /&gt;
=== Ongoing Activities ===&lt;br /&gt;
&lt;br /&gt;
=== Ongoing PhD Projects ===&lt;br /&gt;
* [[Computer assisted design and development of tailored nanostructures]]&lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
* [[PUT 1372 - Mechanisms of vacuum arching in high electric field systems]]&lt;br /&gt;
&lt;br /&gt;
=== Glory and Success ===&lt;br /&gt;
* [[PUT 57 - Multiscale simulations of dislocation generation in rf electric fields in the linear accelerator design (01.01.2013 - 31.12.2016)]]&lt;br /&gt;
* [[ETF 9216 - Development and optimization of 3D-microbatteries (01.01.2012-31.21.2015)]]&lt;br /&gt;
&lt;br /&gt;
=== Student projects  ===&lt;br /&gt;
* [[Materjalidefektide simuleerimine kõrgetes elektriväljades]]&lt;br /&gt;
* [[Järgmise generatsiooni bioreaktorid]]&lt;br /&gt;
* [[Ehitiste konstruktsioonielementide multiskaala mudelite arendamine]]&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
== Members ==&lt;br /&gt;
&lt;br /&gt;
{{Team|&lt;br /&gt;
{{TeamMember|Vahur|Vahur Zadin|senior researcher (finite element modelling, molecular dynamics, high electric fields, CERN))}}&lt;br /&gt;
{{TeamMember|Tarmo|Tarmo Tamm|seniour researcher}}&lt;br /&gt;
{{TeamMember|Heiki|Heiki Kasemägi|senior researcher (ion-conducting polymer, computer simulations) &amp;amp; Computer engineering study programme manager}}&lt;br /&gt;
{{TeamMember|Alvo|Alvo Aabloo| professor, head of the IMS lab}}&lt;br /&gt;
{{TeamMember|Kristiankuppart|Kristian Kuppart|PhD student (MD in high electric fields)}}&lt;br /&gt;
{{TeamMember|Faiza|Faiza Summer|PhD student (Flow-capacitor)}}&lt;br /&gt;
{{TeamMember|Ats.aasmaa|Ats Aasmaa|student (modelling of microbatteries)}}&lt;br /&gt;
{{TeamMember|Mihkel.Veske|Mihkel Veske|in Helsinki University}}&lt;br /&gt;
}}&lt;br /&gt;
&lt;br /&gt;
=== Friends and collaborators ===&lt;br /&gt;
&lt;br /&gt;
* Flyura Djurabekova (Helsinki University)&lt;br /&gt;
* Ville Jansson (Helsinki University)&lt;br /&gt;
* Walter Wuench (CERN)&lt;br /&gt;
* Daniel Brandell (Uppsala University)&lt;br /&gt;
* Sergei Vlassov (UT, Institute of Physics)&lt;br /&gt;
&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
==Publications==&lt;br /&gt;
(All references in Harvard style from Google Scholar)&lt;br /&gt;
&lt;br /&gt;
# [[Data sets of migration barriers for atomistic Kinetic Monte Carlo simulations of Cu self-diffusion via first nearest neighbour atomic jumps. Data in Brief, 17, pp.739-743|Baibuz, E., Vigonski, S., Lahtinen, J., Zhao, J., Jansson, V., Zadin, V. and Djurabekova, F., 2018. Data sets of migration barriers for atomistic Kinetic Monte Carlo simulations of Cu self-diffusion via first nearest neighbour atomic jumps. Data in Brief, 17, pp.739-743]]&lt;br /&gt;
# Zadin, V., Veske, M., Vigonski, S., Jansson, V., Muszynski, J., Parviainen, S., Aabloo, A. and Djurabekova, F., 2018. Simulations of surface stress effects in nanoscale single crystals. Modelling and Simulation in Materials Science and Engineering.&lt;br /&gt;
# Metspalu, T., Jansson, V., Zadin, V., Avchaciov, K., Nordlund, K., Aabloo, A. and Djurabekova, F., 2018. Cu self-sputtering MD simulations for 0.1–5 keV ions at elevated temperatures. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 415, pp.31-40.&lt;br /&gt;
# Vigonski, S., Jansson, V., Vlassov, S., Polyakov, B., Baibuz, E., Oras, S., Aabloo, A., Djurabekova, F. and Zadin, V., 2017. Au nanowire junction breakup through surface atom diffusion. Nanotechnology, 29(1), p.015704.&lt;br /&gt;
#Kyritsakis, A., Veske, M., Eimre, K., Zadin, V. and Djurabekova, F., 2017. Thermal runaway and evaporation of metal nano-tips during intense electron emission. arXiv preprint arXiv:1710.00050.&lt;br /&gt;
#Priimägi, P., Kasemägi, H., Aabloo, A., Brandell, D. and Zadin, V., 2017. Thermal Simulations of Polymer Electrolyte 3D Li-Microbatteries. Electrochimica Acta, 244, pp.129-138.&lt;br /&gt;
#Baibuz, E., Vigonski, S., Lahtinen, J., Zhao, J., Jansson, V., Zadin, V. and Djurabekova, F., 2017. Migration barriers for surface diffusion on a rigid lattice: challenges and solutions. arXiv preprint arXiv:1707.05765.&lt;br /&gt;
#Veske, M., Kyritsakis, A., Eimre, K., Zadin, V., Aabloo, A. and Djurabekova, F., 2017. Dynamic coupling of a finite element solver to large-scale atomistic simulations. arXiv preprint arXiv:1706.09661.&lt;br /&gt;
#Yanagisawa, H., Zadin, V., Kunze, K., Hafner, C., Aabloo, A., Kim, D.E., Kling, M.F., Djurabekova, F., Osterwalder, J. and Wuensch, W., 2016. Laser-induced asymmetric faceting and growth of a nano-protrusion on a tungsten tip. APL Photonics, 1(9), p.091305.&lt;br /&gt;
#Mets, M., Antsov, M., Zadin, V., Dorogin, L.M., Aabloo, A., Polyakov, B., Lõhmus, R. and Vlassov, S., 2016. Structural factor in bending testing of fivefold twinned nanowires revealed by finite element analysis. Physica Scripta, 91(11), p.115701.&lt;br /&gt;
#CLIC, T., Boland, M.J., Felzmann, U., Giansiracusa, P.J., Lucas, T.G., Rassool, R.P., Balazs, C., Charles, T.K., Afanaciev, K., Emeliantchik, I. and Ignatenko, A., 2016. Updated baseline for a staged Compact Linear Collider. arXiv preprint arXiv:1608.07537.&lt;br /&gt;
#Priimägi, P., Brandell, D., Srivastav, S., Aabloo, A., Kasemägi, H. and Zadin, V., 2016. Optimizing the design of 3D-pillar microbatteries using finite element modelling. Electrochimica Acta, 209, pp.138-148.&lt;br /&gt;
#Veske, M., Kyritsakis, A., Djurabekova, F., Aare, R., Eimre, K. and Zadin, V., 2016, July. Atomistic modeling of metal surfaces under high electric fields: Direct coupling of electric fields to the atomistic simulations. In Vacuum Nanoelectronics Conference (IVNC), 2016 29th International (pp. 1-2). IEEE.&lt;br /&gt;
#Veske, M., Parviainen, S., Zadin, V., Aabloo, A. and Djurabekova, F., 2016. Electrodynamics—molecular dynamics simulations of the stability of Cu nanotips under high electric field. Journal of Physics D: Applied Physics, 49(21), p.215301.&lt;br /&gt;
#Vigonski, S., Veske, M., Aabloo, A., Djurabekova, F. and Zadin, V., 2015. Verification of a multiscale surface stress model near voids in copper under the load induced by external high electric field. Applied Mathematics and Computation, 267, pp.476-486.&lt;br /&gt;
#Zadin, V., Kasemägi, H., Valdna, V., Vigonski, S., Veske, M. and Aabloo, A., 2015. Application of multiphysics and multiscale simulations to optimize industrial wood drying kilns. Applied Mathematics and Computation, 267, pp.465-475.&lt;br /&gt;
#Eimre, K., Parviainen, S., Aabloo, A., Djurabekova, F. and Zadin, V., 2015. Application of the general thermal field model to simulate the behaviour of nanoscale Cu field emitters. Journal of Applied Physics, 118(3), p.033303.&lt;br /&gt;
#Vigonski, S., Djurabekova, F., Veske, M., Aabloo, A. and Zadin, V., 2015. Molecular dynamics simulations of near-surface Fe precipitates in Cu under high electric fields. Modelling and Simulation in Materials Science and Engineering, 23(2), p.025009.&lt;br /&gt;
#Zadin, V., Krasheninnikov, A.V., Djurabekova, F. and Nordlund, K., 2015. Simulations of electromechanical shape transformations of Au nanoparticles. physica status solidi (b), 252(1), pp.144-148.&lt;br /&gt;
#Zadin, V., Pohjonen, A., Aabloo, A., Nordlund, K. and Djurabekova, F., 2014. Electrostatic-elastoplastic simulations of copper surface under high electric fields. Physical Review Special Topics-Accelerators and Beams, 17(10), p.103501.&lt;br /&gt;
#Zadin, V., Brandell, D., Kasemägi, H., Lellep, J. and Aabloo, A., 2013. Designing the 3D-microbattery geometry using the level-set method. Journal of Power Sources, 244, pp.417-428.&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
==Defended theses==&lt;br /&gt;
&lt;br /&gt;
=== Masters Theses ===&lt;br /&gt;
* Kristjan Eimre&lt;br /&gt;
* Kristian Kuppart&lt;br /&gt;
* Robert Aare&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
=== Bachelor's theses ===&lt;br /&gt;
&lt;br /&gt;
* [[Kristjan Eimre - title]]&lt;br /&gt;
* [[Kristian Kuppart - title]]&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;/div&gt;</summary>
		<author><name>Vahur</name></author>
	</entry>
	<entry>
		<id>https://ims.ut.ee/index.php?title=Computational_Materials&amp;diff=21358</id>
		<title>Computational Materials</title>
		<link rel="alternate" type="text/html" href="https://ims.ut.ee/index.php?title=Computational_Materials&amp;diff=21358"/>
		<updated>2019-11-20T06:26:16Z</updated>

		<summary type="html">&lt;p&gt;Vahur: /* Friends and collaborators */&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;== Our vision, goal and what we do ==&lt;br /&gt;
&lt;br /&gt;
[[File:multiscale.png|200px|thumb|right| Simulations heat transfer and mechanical stress of FCC metal in multiscale framework.]]&lt;br /&gt;
&lt;br /&gt;
Computer simulations are some of the most fascinating tools made available due to the development of modern computational technology. Simulations in physics, chemistry, materials science, engineering etc. allow us to obtain detailed information of the phenomena of interest and provide often complete 3D and time dependent information of quantities like electromagnetic fields, temperature, forces and mechanical stresses, deformations. Such information leads to deep insights and understanding of nature around us, opening ways to understand complex physical and chemical processes and to the development of novel technologies and applications.&lt;br /&gt;
&lt;br /&gt;
The simulation activities conducted in the lab involve all levels from atomistic to macroscopic (DFT -&amp;gt; Molecular Dynamics -&amp;gt; Monter Carlo -&amp;gt; Finite Elements), including combinations of these methods i.e. multi scale simulations. The core capacity involves both, computational studies of materials and development of new methodology. &lt;br /&gt;
&lt;br /&gt;
Some examples of applications:&lt;br /&gt;
&lt;br /&gt;
* Mechanics&lt;br /&gt;
* CFD (turbulent &amp;amp; laminar)  &lt;br /&gt;
* Heat transport&lt;br /&gt;
* Electric and magnetic fields&lt;br /&gt;
* Chemical reactions&lt;br /&gt;
* Acoustics&lt;br /&gt;
* Multiphysics combinations of these phenomena!&lt;br /&gt;
&lt;br /&gt;
=== Image gallery ===&lt;br /&gt;
&lt;br /&gt;
&amp;lt;gallery mode=&amp;quot;packed-hover&amp;quot;&amp;gt;&lt;br /&gt;
file:multiscale.png|''Multiscaling with FEM in nano-contact''&lt;br /&gt;
file:strainsfinal_facebook.jpg|&amp;quot;Shear strain field around nanovoid in MD and FEM&amp;quot;&lt;br /&gt;
file:tension2.gif|&amp;quot;Animation of stress and deformation in Cu during tensile testing&amp;quot;&lt;br /&gt;
&lt;br /&gt;
&amp;lt;/gallery&amp;gt;&lt;br /&gt;
&lt;br /&gt;
=== Tools we use ===&lt;br /&gt;
* Comsol Multiphysics  [https://www.comsol.com/]&lt;br /&gt;
* LAMMPS [http://lammps.sandia.gov/]&lt;br /&gt;
* DEAL.II open source finite element library [http://dealii.org/]&lt;br /&gt;
* OpenFOAM CFD [https://www.openfoam.com/]&lt;br /&gt;
* FEMOCS (https://github.com/veskem/femocs)&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
== Research Projects ==&lt;br /&gt;
=== Ongoing Activities ===&lt;br /&gt;
&lt;br /&gt;
* [[PUT 1372 - Mechanisms of vacuum arching in high electric field systems]]&lt;br /&gt;
&lt;br /&gt;
=== Glory and Success ===&lt;br /&gt;
* [[PUT 57 - Multiscale simulations of dislocation generation in rf electric fields in the linear accelerator design (01.01.2013 - 31.12.2016)]]&lt;br /&gt;
* [[ETF 9216 - Development and optimization of 3D-microbatteries (01.01.2012-31.21.2015)]]&lt;br /&gt;
&lt;br /&gt;
=== Student projects  ===&lt;br /&gt;
* [[Materjalidefektide simuleerimine kõrgetes elektriväljades]]&lt;br /&gt;
* [[Järgmise generatsiooni bioreaktorid]]&lt;br /&gt;
* [[Ehitiste konstruktsioonielementide multiskaala mudelite arendamine]]&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
== Members ==&lt;br /&gt;
&lt;br /&gt;
{{Team|&lt;br /&gt;
{{TeamMember|Vahur|Vahur Zadin|senior researcher (finite element modelling, molecular dynamics, high electric fields, CERN))}}&lt;br /&gt;
{{TeamMember|Tarmo|Tarmo Tamm|seniour researcher}}&lt;br /&gt;
{{TeamMember|Heiki|Heiki Kasemägi|senior researcher (ion-conducting polymer, computer simulations) &amp;amp; Computer engineering study programme manager}}&lt;br /&gt;
{{TeamMember|Alvo|Alvo Aabloo| professor, head of the IMS lab}}&lt;br /&gt;
{{TeamMember|Kristiankuppart|Kristian Kuppart|PhD student (MD in high electric fields)}}&lt;br /&gt;
{{TeamMember|Faiza|Faiza Summer|PhD student (Flow-capacitor)}}&lt;br /&gt;
{{TeamMember|Ats.aasmaa|Ats Aasmaa|student (modelling of microbatteries)}}&lt;br /&gt;
{{TeamMember|Mihkel.Veske|Mihkel Veske|in Helsinki University}}&lt;br /&gt;
}}&lt;br /&gt;
&lt;br /&gt;
=== Friends and collaborators ===&lt;br /&gt;
&lt;br /&gt;
* Flyura Djurabekova (Helsinki University)&lt;br /&gt;
* Ville Jansson (Helsinki University)&lt;br /&gt;
* Walter Wuench (CERN)&lt;br /&gt;
* Daniel Brandell (Uppsala University)&lt;br /&gt;
* Sergei Vlassov (UT, Institute of Physics)&lt;br /&gt;
&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
==Publications==&lt;br /&gt;
(All references in Harvard style from Google Scholar)&lt;br /&gt;
&lt;br /&gt;
# [[Data sets of migration barriers for atomistic Kinetic Monte Carlo simulations of Cu self-diffusion via first nearest neighbour atomic jumps. Data in Brief, 17, pp.739-743|Baibuz, E., Vigonski, S., Lahtinen, J., Zhao, J., Jansson, V., Zadin, V. and Djurabekova, F., 2018. Data sets of migration barriers for atomistic Kinetic Monte Carlo simulations of Cu self-diffusion via first nearest neighbour atomic jumps. Data in Brief, 17, pp.739-743]]&lt;br /&gt;
# Zadin, V., Veske, M., Vigonski, S., Jansson, V., Muszynski, J., Parviainen, S., Aabloo, A. and Djurabekova, F., 2018. Simulations of surface stress effects in nanoscale single crystals. Modelling and Simulation in Materials Science and Engineering.&lt;br /&gt;
# Metspalu, T., Jansson, V., Zadin, V., Avchaciov, K., Nordlund, K., Aabloo, A. and Djurabekova, F., 2018. Cu self-sputtering MD simulations for 0.1–5 keV ions at elevated temperatures. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 415, pp.31-40.&lt;br /&gt;
# Vigonski, S., Jansson, V., Vlassov, S., Polyakov, B., Baibuz, E., Oras, S., Aabloo, A., Djurabekova, F. and Zadin, V., 2017. Au nanowire junction breakup through surface atom diffusion. Nanotechnology, 29(1), p.015704.&lt;br /&gt;
#Kyritsakis, A., Veske, M., Eimre, K., Zadin, V. and Djurabekova, F., 2017. Thermal runaway and evaporation of metal nano-tips during intense electron emission. arXiv preprint arXiv:1710.00050.&lt;br /&gt;
#Priimägi, P., Kasemägi, H., Aabloo, A., Brandell, D. and Zadin, V., 2017. Thermal Simulations of Polymer Electrolyte 3D Li-Microbatteries. Electrochimica Acta, 244, pp.129-138.&lt;br /&gt;
#Baibuz, E., Vigonski, S., Lahtinen, J., Zhao, J., Jansson, V., Zadin, V. and Djurabekova, F., 2017. Migration barriers for surface diffusion on a rigid lattice: challenges and solutions. arXiv preprint arXiv:1707.05765.&lt;br /&gt;
#Veske, M., Kyritsakis, A., Eimre, K., Zadin, V., Aabloo, A. and Djurabekova, F., 2017. Dynamic coupling of a finite element solver to large-scale atomistic simulations. arXiv preprint arXiv:1706.09661.&lt;br /&gt;
#Yanagisawa, H., Zadin, V., Kunze, K., Hafner, C., Aabloo, A., Kim, D.E., Kling, M.F., Djurabekova, F., Osterwalder, J. and Wuensch, W., 2016. Laser-induced asymmetric faceting and growth of a nano-protrusion on a tungsten tip. APL Photonics, 1(9), p.091305.&lt;br /&gt;
#Mets, M., Antsov, M., Zadin, V., Dorogin, L.M., Aabloo, A., Polyakov, B., Lõhmus, R. and Vlassov, S., 2016. Structural factor in bending testing of fivefold twinned nanowires revealed by finite element analysis. Physica Scripta, 91(11), p.115701.&lt;br /&gt;
#CLIC, T., Boland, M.J., Felzmann, U., Giansiracusa, P.J., Lucas, T.G., Rassool, R.P., Balazs, C., Charles, T.K., Afanaciev, K., Emeliantchik, I. and Ignatenko, A., 2016. Updated baseline for a staged Compact Linear Collider. arXiv preprint arXiv:1608.07537.&lt;br /&gt;
#Priimägi, P., Brandell, D., Srivastav, S., Aabloo, A., Kasemägi, H. and Zadin, V., 2016. Optimizing the design of 3D-pillar microbatteries using finite element modelling. Electrochimica Acta, 209, pp.138-148.&lt;br /&gt;
#Veske, M., Kyritsakis, A., Djurabekova, F., Aare, R., Eimre, K. and Zadin, V., 2016, July. Atomistic modeling of metal surfaces under high electric fields: Direct coupling of electric fields to the atomistic simulations. In Vacuum Nanoelectronics Conference (IVNC), 2016 29th International (pp. 1-2). IEEE.&lt;br /&gt;
#Veske, M., Parviainen, S., Zadin, V., Aabloo, A. and Djurabekova, F., 2016. Electrodynamics—molecular dynamics simulations of the stability of Cu nanotips under high electric field. Journal of Physics D: Applied Physics, 49(21), p.215301.&lt;br /&gt;
#Vigonski, S., Veske, M., Aabloo, A., Djurabekova, F. and Zadin, V., 2015. Verification of a multiscale surface stress model near voids in copper under the load induced by external high electric field. Applied Mathematics and Computation, 267, pp.476-486.&lt;br /&gt;
#Zadin, V., Kasemägi, H., Valdna, V., Vigonski, S., Veske, M. and Aabloo, A., 2015. Application of multiphysics and multiscale simulations to optimize industrial wood drying kilns. Applied Mathematics and Computation, 267, pp.465-475.&lt;br /&gt;
#Eimre, K., Parviainen, S., Aabloo, A., Djurabekova, F. and Zadin, V., 2015. Application of the general thermal field model to simulate the behaviour of nanoscale Cu field emitters. Journal of Applied Physics, 118(3), p.033303.&lt;br /&gt;
#Vigonski, S., Djurabekova, F., Veske, M., Aabloo, A. and Zadin, V., 2015. Molecular dynamics simulations of near-surface Fe precipitates in Cu under high electric fields. Modelling and Simulation in Materials Science and Engineering, 23(2), p.025009.&lt;br /&gt;
#Zadin, V., Krasheninnikov, A.V., Djurabekova, F. and Nordlund, K., 2015. Simulations of electromechanical shape transformations of Au nanoparticles. physica status solidi (b), 252(1), pp.144-148.&lt;br /&gt;
#Zadin, V., Pohjonen, A., Aabloo, A., Nordlund, K. and Djurabekova, F., 2014. Electrostatic-elastoplastic simulations of copper surface under high electric fields. Physical Review Special Topics-Accelerators and Beams, 17(10), p.103501.&lt;br /&gt;
#Zadin, V., Brandell, D., Kasemägi, H., Lellep, J. and Aabloo, A., 2013. Designing the 3D-microbattery geometry using the level-set method. Journal of Power Sources, 244, pp.417-428.&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
==Defended theses==&lt;br /&gt;
&lt;br /&gt;
=== Masters Theses ===&lt;br /&gt;
* Kristjan Eimre&lt;br /&gt;
* Kristian Kuppart&lt;br /&gt;
* Robert Aare&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
=== Bachelor's theses ===&lt;br /&gt;
&lt;br /&gt;
* [[Kristjan Eimre - title]]&lt;br /&gt;
* [[Kristian Kuppart - title]]&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;/div&gt;</summary>
		<author><name>Vahur</name></author>
	</entry>
	<entry>
		<id>https://ims.ut.ee/index.php?title=Computational_Materials&amp;diff=21357</id>
		<title>Computational Materials</title>
		<link rel="alternate" type="text/html" href="https://ims.ut.ee/index.php?title=Computational_Materials&amp;diff=21357"/>
		<updated>2019-11-20T06:25:26Z</updated>

		<summary type="html">&lt;p&gt;Vahur: /* Image gallery */&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;== Our vision, goal and what we do ==&lt;br /&gt;
&lt;br /&gt;
[[File:multiscale.png|200px|thumb|right| Simulations heat transfer and mechanical stress of FCC metal in multiscale framework.]]&lt;br /&gt;
&lt;br /&gt;
Computer simulations are some of the most fascinating tools made available due to the development of modern computational technology. Simulations in physics, chemistry, materials science, engineering etc. allow us to obtain detailed information of the phenomena of interest and provide often complete 3D and time dependent information of quantities like electromagnetic fields, temperature, forces and mechanical stresses, deformations. Such information leads to deep insights and understanding of nature around us, opening ways to understand complex physical and chemical processes and to the development of novel technologies and applications.&lt;br /&gt;
&lt;br /&gt;
The simulation activities conducted in the lab involve all levels from atomistic to macroscopic (DFT -&amp;gt; Molecular Dynamics -&amp;gt; Monter Carlo -&amp;gt; Finite Elements), including combinations of these methods i.e. multi scale simulations. The core capacity involves both, computational studies of materials and development of new methodology. &lt;br /&gt;
&lt;br /&gt;
Some examples of applications:&lt;br /&gt;
&lt;br /&gt;
* Mechanics&lt;br /&gt;
* CFD (turbulent &amp;amp; laminar)  &lt;br /&gt;
* Heat transport&lt;br /&gt;
* Electric and magnetic fields&lt;br /&gt;
* Chemical reactions&lt;br /&gt;
* Acoustics&lt;br /&gt;
* Multiphysics combinations of these phenomena!&lt;br /&gt;
&lt;br /&gt;
=== Image gallery ===&lt;br /&gt;
&lt;br /&gt;
&amp;lt;gallery mode=&amp;quot;packed-hover&amp;quot;&amp;gt;&lt;br /&gt;
file:multiscale.png|''Multiscaling with FEM in nano-contact''&lt;br /&gt;
file:strainsfinal_facebook.jpg|&amp;quot;Shear strain field around nanovoid in MD and FEM&amp;quot;&lt;br /&gt;
file:tension2.gif|&amp;quot;Animation of stress and deformation in Cu during tensile testing&amp;quot;&lt;br /&gt;
&lt;br /&gt;
&amp;lt;/gallery&amp;gt;&lt;br /&gt;
&lt;br /&gt;
=== Tools we use ===&lt;br /&gt;
* Comsol Multiphysics  [https://www.comsol.com/]&lt;br /&gt;
* LAMMPS [http://lammps.sandia.gov/]&lt;br /&gt;
* DEAL.II open source finite element library [http://dealii.org/]&lt;br /&gt;
* OpenFOAM CFD [https://www.openfoam.com/]&lt;br /&gt;
* FEMOCS (https://github.com/veskem/femocs)&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
== Research Projects ==&lt;br /&gt;
=== Ongoing Activities ===&lt;br /&gt;
&lt;br /&gt;
* [[PUT 1372 - Mechanisms of vacuum arching in high electric field systems]]&lt;br /&gt;
&lt;br /&gt;
=== Glory and Success ===&lt;br /&gt;
* [[PUT 57 - Multiscale simulations of dislocation generation in rf electric fields in the linear accelerator design (01.01.2013 - 31.12.2016)]]&lt;br /&gt;
* [[ETF 9216 - Development and optimization of 3D-microbatteries (01.01.2012-31.21.2015)]]&lt;br /&gt;
&lt;br /&gt;
=== Student projects  ===&lt;br /&gt;
* [[Materjalidefektide simuleerimine kõrgetes elektriväljades]]&lt;br /&gt;
* [[Järgmise generatsiooni bioreaktorid]]&lt;br /&gt;
* [[Ehitiste konstruktsioonielementide multiskaala mudelite arendamine]]&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
== Members ==&lt;br /&gt;
&lt;br /&gt;
{{Team|&lt;br /&gt;
{{TeamMember|Vahur|Vahur Zadin|senior researcher (finite element modelling, molecular dynamics, high electric fields, CERN))}}&lt;br /&gt;
{{TeamMember|Tarmo|Tarmo Tamm|seniour researcher}}&lt;br /&gt;
{{TeamMember|Heiki|Heiki Kasemägi|senior researcher (ion-conducting polymer, computer simulations) &amp;amp; Computer engineering study programme manager}}&lt;br /&gt;
{{TeamMember|Alvo|Alvo Aabloo| professor, head of the IMS lab}}&lt;br /&gt;
{{TeamMember|Kristiankuppart|Kristian Kuppart|PhD student (MD in high electric fields)}}&lt;br /&gt;
{{TeamMember|Faiza|Faiza Summer|PhD student (Flow-capacitor)}}&lt;br /&gt;
{{TeamMember|Ats.aasmaa|Ats Aasmaa|student (modelling of microbatteries)}}&lt;br /&gt;
{{TeamMember|Mihkel.Veske|Mihkel Veske|in Helsinki University}}&lt;br /&gt;
}}&lt;br /&gt;
&lt;br /&gt;
=== Friends and collaborators ===&lt;br /&gt;
&lt;br /&gt;
* Flyura Djurabekova (Helsinki University)&lt;br /&gt;
* Ville Jansson (Helsinki University)&lt;br /&gt;
* Walter Wuench (CERN)&lt;br /&gt;
* Daniel Brandell (Uppsala University)&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
==Publications==&lt;br /&gt;
(All references in Harvard style from Google Scholar)&lt;br /&gt;
&lt;br /&gt;
# [[Data sets of migration barriers for atomistic Kinetic Monte Carlo simulations of Cu self-diffusion via first nearest neighbour atomic jumps. Data in Brief, 17, pp.739-743|Baibuz, E., Vigonski, S., Lahtinen, J., Zhao, J., Jansson, V., Zadin, V. and Djurabekova, F., 2018. Data sets of migration barriers for atomistic Kinetic Monte Carlo simulations of Cu self-diffusion via first nearest neighbour atomic jumps. Data in Brief, 17, pp.739-743]]&lt;br /&gt;
# Zadin, V., Veske, M., Vigonski, S., Jansson, V., Muszynski, J., Parviainen, S., Aabloo, A. and Djurabekova, F., 2018. Simulations of surface stress effects in nanoscale single crystals. Modelling and Simulation in Materials Science and Engineering.&lt;br /&gt;
# Metspalu, T., Jansson, V., Zadin, V., Avchaciov, K., Nordlund, K., Aabloo, A. and Djurabekova, F., 2018. Cu self-sputtering MD simulations for 0.1–5 keV ions at elevated temperatures. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 415, pp.31-40.&lt;br /&gt;
# Vigonski, S., Jansson, V., Vlassov, S., Polyakov, B., Baibuz, E., Oras, S., Aabloo, A., Djurabekova, F. and Zadin, V., 2017. Au nanowire junction breakup through surface atom diffusion. Nanotechnology, 29(1), p.015704.&lt;br /&gt;
#Kyritsakis, A., Veske, M., Eimre, K., Zadin, V. and Djurabekova, F., 2017. Thermal runaway and evaporation of metal nano-tips during intense electron emission. arXiv preprint arXiv:1710.00050.&lt;br /&gt;
#Priimägi, P., Kasemägi, H., Aabloo, A., Brandell, D. and Zadin, V., 2017. Thermal Simulations of Polymer Electrolyte 3D Li-Microbatteries. Electrochimica Acta, 244, pp.129-138.&lt;br /&gt;
#Baibuz, E., Vigonski, S., Lahtinen, J., Zhao, J., Jansson, V., Zadin, V. and Djurabekova, F., 2017. Migration barriers for surface diffusion on a rigid lattice: challenges and solutions. arXiv preprint arXiv:1707.05765.&lt;br /&gt;
#Veske, M., Kyritsakis, A., Eimre, K., Zadin, V., Aabloo, A. and Djurabekova, F., 2017. Dynamic coupling of a finite element solver to large-scale atomistic simulations. arXiv preprint arXiv:1706.09661.&lt;br /&gt;
#Yanagisawa, H., Zadin, V., Kunze, K., Hafner, C., Aabloo, A., Kim, D.E., Kling, M.F., Djurabekova, F., Osterwalder, J. and Wuensch, W., 2016. Laser-induced asymmetric faceting and growth of a nano-protrusion on a tungsten tip. APL Photonics, 1(9), p.091305.&lt;br /&gt;
#Mets, M., Antsov, M., Zadin, V., Dorogin, L.M., Aabloo, A., Polyakov, B., Lõhmus, R. and Vlassov, S., 2016. Structural factor in bending testing of fivefold twinned nanowires revealed by finite element analysis. Physica Scripta, 91(11), p.115701.&lt;br /&gt;
#CLIC, T., Boland, M.J., Felzmann, U., Giansiracusa, P.J., Lucas, T.G., Rassool, R.P., Balazs, C., Charles, T.K., Afanaciev, K., Emeliantchik, I. and Ignatenko, A., 2016. Updated baseline for a staged Compact Linear Collider. arXiv preprint arXiv:1608.07537.&lt;br /&gt;
#Priimägi, P., Brandell, D., Srivastav, S., Aabloo, A., Kasemägi, H. and Zadin, V., 2016. Optimizing the design of 3D-pillar microbatteries using finite element modelling. Electrochimica Acta, 209, pp.138-148.&lt;br /&gt;
#Veske, M., Kyritsakis, A., Djurabekova, F., Aare, R., Eimre, K. and Zadin, V., 2016, July. Atomistic modeling of metal surfaces under high electric fields: Direct coupling of electric fields to the atomistic simulations. In Vacuum Nanoelectronics Conference (IVNC), 2016 29th International (pp. 1-2). IEEE.&lt;br /&gt;
#Veske, M., Parviainen, S., Zadin, V., Aabloo, A. and Djurabekova, F., 2016. Electrodynamics—molecular dynamics simulations of the stability of Cu nanotips under high electric field. Journal of Physics D: Applied Physics, 49(21), p.215301.&lt;br /&gt;
#Vigonski, S., Veske, M., Aabloo, A., Djurabekova, F. and Zadin, V., 2015. Verification of a multiscale surface stress model near voids in copper under the load induced by external high electric field. Applied Mathematics and Computation, 267, pp.476-486.&lt;br /&gt;
#Zadin, V., Kasemägi, H., Valdna, V., Vigonski, S., Veske, M. and Aabloo, A., 2015. Application of multiphysics and multiscale simulations to optimize industrial wood drying kilns. Applied Mathematics and Computation, 267, pp.465-475.&lt;br /&gt;
#Eimre, K., Parviainen, S., Aabloo, A., Djurabekova, F. and Zadin, V., 2015. Application of the general thermal field model to simulate the behaviour of nanoscale Cu field emitters. Journal of Applied Physics, 118(3), p.033303.&lt;br /&gt;
#Vigonski, S., Djurabekova, F., Veske, M., Aabloo, A. and Zadin, V., 2015. Molecular dynamics simulations of near-surface Fe precipitates in Cu under high electric fields. Modelling and Simulation in Materials Science and Engineering, 23(2), p.025009.&lt;br /&gt;
#Zadin, V., Krasheninnikov, A.V., Djurabekova, F. and Nordlund, K., 2015. Simulations of electromechanical shape transformations of Au nanoparticles. physica status solidi (b), 252(1), pp.144-148.&lt;br /&gt;
#Zadin, V., Pohjonen, A., Aabloo, A., Nordlund, K. and Djurabekova, F., 2014. Electrostatic-elastoplastic simulations of copper surface under high electric fields. Physical Review Special Topics-Accelerators and Beams, 17(10), p.103501.&lt;br /&gt;
#Zadin, V., Brandell, D., Kasemägi, H., Lellep, J. and Aabloo, A., 2013. Designing the 3D-microbattery geometry using the level-set method. Journal of Power Sources, 244, pp.417-428.&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
==Defended theses==&lt;br /&gt;
&lt;br /&gt;
=== Masters Theses ===&lt;br /&gt;
* Kristjan Eimre&lt;br /&gt;
* Kristian Kuppart&lt;br /&gt;
* Robert Aare&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
=== Bachelor's theses ===&lt;br /&gt;
&lt;br /&gt;
* [[Kristjan Eimre - title]]&lt;br /&gt;
* [[Kristian Kuppart - title]]&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;/div&gt;</summary>
		<author><name>Vahur</name></author>
	</entry>
	<entry>
		<id>https://ims.ut.ee/index.php?title=Computational_Materials&amp;diff=21356</id>
		<title>Computational Materials</title>
		<link rel="alternate" type="text/html" href="https://ims.ut.ee/index.php?title=Computational_Materials&amp;diff=21356"/>
		<updated>2019-11-20T06:24:46Z</updated>

		<summary type="html">&lt;p&gt;Vahur: /* Our vision, goal and what we do */&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;== Our vision, goal and what we do ==&lt;br /&gt;
&lt;br /&gt;
[[File:multiscale.png|200px|thumb|right| Simulations heat transfer and mechanical stress of FCC metal in multiscale framework.]]&lt;br /&gt;
&lt;br /&gt;
Computer simulations are some of the most fascinating tools made available due to the development of modern computational technology. Simulations in physics, chemistry, materials science, engineering etc. allow us to obtain detailed information of the phenomena of interest and provide often complete 3D and time dependent information of quantities like electromagnetic fields, temperature, forces and mechanical stresses, deformations. Such information leads to deep insights and understanding of nature around us, opening ways to understand complex physical and chemical processes and to the development of novel technologies and applications.&lt;br /&gt;
&lt;br /&gt;
The simulation activities conducted in the lab involve all levels from atomistic to macroscopic (DFT -&amp;gt; Molecular Dynamics -&amp;gt; Monter Carlo -&amp;gt; Finite Elements), including combinations of these methods i.e. multi scale simulations. The core capacity involves both, computational studies of materials and development of new methodology. &lt;br /&gt;
&lt;br /&gt;
Some examples of applications:&lt;br /&gt;
&lt;br /&gt;
* Mechanics&lt;br /&gt;
* CFD (turbulent &amp;amp; laminar)  &lt;br /&gt;
* Heat transport&lt;br /&gt;
* Electric and magnetic fields&lt;br /&gt;
* Chemical reactions&lt;br /&gt;
* Acoustics&lt;br /&gt;
* Multiphysics combinations of these phenomena!&lt;br /&gt;
&lt;br /&gt;
=== Image gallery ===&lt;br /&gt;
&lt;br /&gt;
&amp;lt;gallery mode=&amp;quot;packed-hover&amp;quot;&amp;gt;&lt;br /&gt;
file:multiscale.png|''Some simulation results''&lt;br /&gt;
file:strainsfinal_facebook.jpg|&amp;quot;Shear strain field around nanovoid in MD and FEM&amp;quot;&lt;br /&gt;
file:tension2.gif|&amp;quot;Animation of stress and deformation in Cu during tensile testing&amp;quot;&lt;br /&gt;
&lt;br /&gt;
&amp;lt;/gallery&amp;gt;&lt;br /&gt;
&lt;br /&gt;
=== Tools we use ===&lt;br /&gt;
* Comsol Multiphysics  [https://www.comsol.com/]&lt;br /&gt;
* LAMMPS [http://lammps.sandia.gov/]&lt;br /&gt;
* DEAL.II open source finite element library [http://dealii.org/]&lt;br /&gt;
* OpenFOAM CFD [https://www.openfoam.com/]&lt;br /&gt;
* FEMOCS (https://github.com/veskem/femocs)&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
== Research Projects ==&lt;br /&gt;
=== Ongoing Activities ===&lt;br /&gt;
&lt;br /&gt;
* [[PUT 1372 - Mechanisms of vacuum arching in high electric field systems]]&lt;br /&gt;
&lt;br /&gt;
=== Glory and Success ===&lt;br /&gt;
* [[PUT 57 - Multiscale simulations of dislocation generation in rf electric fields in the linear accelerator design (01.01.2013 - 31.12.2016)]]&lt;br /&gt;
* [[ETF 9216 - Development and optimization of 3D-microbatteries (01.01.2012-31.21.2015)]]&lt;br /&gt;
&lt;br /&gt;
=== Student projects  ===&lt;br /&gt;
* [[Materjalidefektide simuleerimine kõrgetes elektriväljades]]&lt;br /&gt;
* [[Järgmise generatsiooni bioreaktorid]]&lt;br /&gt;
* [[Ehitiste konstruktsioonielementide multiskaala mudelite arendamine]]&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
== Members ==&lt;br /&gt;
&lt;br /&gt;
{{Team|&lt;br /&gt;
{{TeamMember|Vahur|Vahur Zadin|senior researcher (finite element modelling, molecular dynamics, high electric fields, CERN))}}&lt;br /&gt;
{{TeamMember|Tarmo|Tarmo Tamm|seniour researcher}}&lt;br /&gt;
{{TeamMember|Heiki|Heiki Kasemägi|senior researcher (ion-conducting polymer, computer simulations) &amp;amp; Computer engineering study programme manager}}&lt;br /&gt;
{{TeamMember|Alvo|Alvo Aabloo| professor, head of the IMS lab}}&lt;br /&gt;
{{TeamMember|Kristiankuppart|Kristian Kuppart|PhD student (MD in high electric fields)}}&lt;br /&gt;
{{TeamMember|Faiza|Faiza Summer|PhD student (Flow-capacitor)}}&lt;br /&gt;
{{TeamMember|Ats.aasmaa|Ats Aasmaa|student (modelling of microbatteries)}}&lt;br /&gt;
{{TeamMember|Mihkel.Veske|Mihkel Veske|in Helsinki University}}&lt;br /&gt;
}}&lt;br /&gt;
&lt;br /&gt;
=== Friends and collaborators ===&lt;br /&gt;
&lt;br /&gt;
* Flyura Djurabekova (Helsinki University)&lt;br /&gt;
* Ville Jansson (Helsinki University)&lt;br /&gt;
* Walter Wuench (CERN)&lt;br /&gt;
* Daniel Brandell (Uppsala University)&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
==Publications==&lt;br /&gt;
(All references in Harvard style from Google Scholar)&lt;br /&gt;
&lt;br /&gt;
# [[Data sets of migration barriers for atomistic Kinetic Monte Carlo simulations of Cu self-diffusion via first nearest neighbour atomic jumps. Data in Brief, 17, pp.739-743|Baibuz, E., Vigonski, S., Lahtinen, J., Zhao, J., Jansson, V., Zadin, V. and Djurabekova, F., 2018. Data sets of migration barriers for atomistic Kinetic Monte Carlo simulations of Cu self-diffusion via first nearest neighbour atomic jumps. Data in Brief, 17, pp.739-743]]&lt;br /&gt;
# Zadin, V., Veske, M., Vigonski, S., Jansson, V., Muszynski, J., Parviainen, S., Aabloo, A. and Djurabekova, F., 2018. Simulations of surface stress effects in nanoscale single crystals. Modelling and Simulation in Materials Science and Engineering.&lt;br /&gt;
# Metspalu, T., Jansson, V., Zadin, V., Avchaciov, K., Nordlund, K., Aabloo, A. and Djurabekova, F., 2018. Cu self-sputtering MD simulations for 0.1–5 keV ions at elevated temperatures. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 415, pp.31-40.&lt;br /&gt;
# Vigonski, S., Jansson, V., Vlassov, S., Polyakov, B., Baibuz, E., Oras, S., Aabloo, A., Djurabekova, F. and Zadin, V., 2017. Au nanowire junction breakup through surface atom diffusion. Nanotechnology, 29(1), p.015704.&lt;br /&gt;
#Kyritsakis, A., Veske, M., Eimre, K., Zadin, V. and Djurabekova, F., 2017. Thermal runaway and evaporation of metal nano-tips during intense electron emission. arXiv preprint arXiv:1710.00050.&lt;br /&gt;
#Priimägi, P., Kasemägi, H., Aabloo, A., Brandell, D. and Zadin, V., 2017. Thermal Simulations of Polymer Electrolyte 3D Li-Microbatteries. Electrochimica Acta, 244, pp.129-138.&lt;br /&gt;
#Baibuz, E., Vigonski, S., Lahtinen, J., Zhao, J., Jansson, V., Zadin, V. and Djurabekova, F., 2017. Migration barriers for surface diffusion on a rigid lattice: challenges and solutions. arXiv preprint arXiv:1707.05765.&lt;br /&gt;
#Veske, M., Kyritsakis, A., Eimre, K., Zadin, V., Aabloo, A. and Djurabekova, F., 2017. Dynamic coupling of a finite element solver to large-scale atomistic simulations. arXiv preprint arXiv:1706.09661.&lt;br /&gt;
#Yanagisawa, H., Zadin, V., Kunze, K., Hafner, C., Aabloo, A., Kim, D.E., Kling, M.F., Djurabekova, F., Osterwalder, J. and Wuensch, W., 2016. Laser-induced asymmetric faceting and growth of a nano-protrusion on a tungsten tip. APL Photonics, 1(9), p.091305.&lt;br /&gt;
#Mets, M., Antsov, M., Zadin, V., Dorogin, L.M., Aabloo, A., Polyakov, B., Lõhmus, R. and Vlassov, S., 2016. Structural factor in bending testing of fivefold twinned nanowires revealed by finite element analysis. Physica Scripta, 91(11), p.115701.&lt;br /&gt;
#CLIC, T., Boland, M.J., Felzmann, U., Giansiracusa, P.J., Lucas, T.G., Rassool, R.P., Balazs, C., Charles, T.K., Afanaciev, K., Emeliantchik, I. and Ignatenko, A., 2016. Updated baseline for a staged Compact Linear Collider. arXiv preprint arXiv:1608.07537.&lt;br /&gt;
#Priimägi, P., Brandell, D., Srivastav, S., Aabloo, A., Kasemägi, H. and Zadin, V., 2016. Optimizing the design of 3D-pillar microbatteries using finite element modelling. Electrochimica Acta, 209, pp.138-148.&lt;br /&gt;
#Veske, M., Kyritsakis, A., Djurabekova, F., Aare, R., Eimre, K. and Zadin, V., 2016, July. Atomistic modeling of metal surfaces under high electric fields: Direct coupling of electric fields to the atomistic simulations. In Vacuum Nanoelectronics Conference (IVNC), 2016 29th International (pp. 1-2). IEEE.&lt;br /&gt;
#Veske, M., Parviainen, S., Zadin, V., Aabloo, A. and Djurabekova, F., 2016. Electrodynamics—molecular dynamics simulations of the stability of Cu nanotips under high electric field. Journal of Physics D: Applied Physics, 49(21), p.215301.&lt;br /&gt;
#Vigonski, S., Veske, M., Aabloo, A., Djurabekova, F. and Zadin, V., 2015. Verification of a multiscale surface stress model near voids in copper under the load induced by external high electric field. Applied Mathematics and Computation, 267, pp.476-486.&lt;br /&gt;
#Zadin, V., Kasemägi, H., Valdna, V., Vigonski, S., Veske, M. and Aabloo, A., 2015. Application of multiphysics and multiscale simulations to optimize industrial wood drying kilns. Applied Mathematics and Computation, 267, pp.465-475.&lt;br /&gt;
#Eimre, K., Parviainen, S., Aabloo, A., Djurabekova, F. and Zadin, V., 2015. Application of the general thermal field model to simulate the behaviour of nanoscale Cu field emitters. Journal of Applied Physics, 118(3), p.033303.&lt;br /&gt;
#Vigonski, S., Djurabekova, F., Veske, M., Aabloo, A. and Zadin, V., 2015. Molecular dynamics simulations of near-surface Fe precipitates in Cu under high electric fields. Modelling and Simulation in Materials Science and Engineering, 23(2), p.025009.&lt;br /&gt;
#Zadin, V., Krasheninnikov, A.V., Djurabekova, F. and Nordlund, K., 2015. Simulations of electromechanical shape transformations of Au nanoparticles. physica status solidi (b), 252(1), pp.144-148.&lt;br /&gt;
#Zadin, V., Pohjonen, A., Aabloo, A., Nordlund, K. and Djurabekova, F., 2014. Electrostatic-elastoplastic simulations of copper surface under high electric fields. Physical Review Special Topics-Accelerators and Beams, 17(10), p.103501.&lt;br /&gt;
#Zadin, V., Brandell, D., Kasemägi, H., Lellep, J. and Aabloo, A., 2013. Designing the 3D-microbattery geometry using the level-set method. Journal of Power Sources, 244, pp.417-428.&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
==Defended theses==&lt;br /&gt;
&lt;br /&gt;
=== Masters Theses ===&lt;br /&gt;
* Kristjan Eimre&lt;br /&gt;
* Kristian Kuppart&lt;br /&gt;
* Robert Aare&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
=== Bachelor's theses ===&lt;br /&gt;
&lt;br /&gt;
* [[Kristjan Eimre - title]]&lt;br /&gt;
* [[Kristian Kuppart - title]]&lt;br /&gt;
&amp;lt;!-- This is end of section --&amp;gt;&lt;/div&gt;</summary>
		<author><name>Vahur</name></author>
	</entry>
	<entry>
		<id>https://ims.ut.ee/index.php?title=File:Testpicture.png&amp;diff=21298</id>
		<title>File:Testpicture.png</title>
		<link rel="alternate" type="text/html" href="https://ims.ut.ee/index.php?title=File:Testpicture.png&amp;diff=21298"/>
		<updated>2019-11-15T14:56:09Z</updated>

		<summary type="html">&lt;p&gt;Vahur: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;Test_111&lt;/div&gt;</summary>
		<author><name>Vahur</name></author>
	</entry>
	<entry>
		<id>https://ims.ut.ee/index.php?title=User:Ye.wang&amp;diff=21293</id>
		<title>User:Ye.wang</title>
		<link rel="alternate" type="text/html" href="https://ims.ut.ee/index.php?title=User:Ye.wang&amp;diff=21293"/>
		<updated>2019-11-15T14:37:44Z</updated>

		<summary type="html">&lt;p&gt;Vahur: Created page with &amp;quot;{{UserProfile |    fullname=Ye Wang |      email=|   mobile=|   skype=|   orcid= }}&amp;quot;&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;{{UserProfile | &lt;br /&gt;
  fullname=Ye Wang |&lt;br /&gt;
  &lt;br /&gt;
  email=|&lt;br /&gt;
  mobile=|&lt;br /&gt;
  skype=|&lt;br /&gt;
  orcid=&lt;br /&gt;
}}&lt;/div&gt;</summary>
		<author><name>Vahur</name></author>
	</entry>
	<entry>
		<id>https://ims.ut.ee/index.php?title=People&amp;diff=21292</id>
		<title>People</title>
		<link rel="alternate" type="text/html" href="https://ims.ut.ee/index.php?title=People&amp;diff=21292"/>
		<updated>2019-11-15T14:33:02Z</updated>

		<summary type="html">&lt;p&gt;Vahur: /* PhD Students */&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;{{DISPLAYTITLE:The Lab's Team}} __NOTOC__&lt;br /&gt;
== Staff ==&lt;br /&gt;
&lt;br /&gt;
{{Team|&lt;br /&gt;
{{TeamMember|Alvo|Alvo Aabloo|professor, head of the lab (polymer materials)}}&lt;br /&gt;
{{TeamMember|Karl|Karl Kruusamäe|associate professor of robotics engineering, [[IMS robotics]]}}&lt;br /&gt;
{{TeamMember|Indrekm|Indrek Must|associate professor of soft robotics}}&lt;br /&gt;
{{TeamMember|Aks1812|Arun Kumar Singh|associate professor of collaborative robotics, [[IMS robotics]]}}&lt;br /&gt;
{{TeamMember|Tarmo|Tarmo Tamm|senior researcher of materials science}}&lt;br /&gt;
{{TeamMember|Vahur|Vahur Zadin|senior researcher (finite element modelling, molecular dynamics, high electric fields, CERN)}}&lt;br /&gt;
{{TeamMember|Heiki|Heiki Kasemägi|senior researcher (ion-conducting polymer, computer simulations) &amp;amp; Computer engineering study programme manager}}&lt;br /&gt;
{{TeamMember|Gajanee|Kaija Põhako-Esko|researcher, Marie Skłodowska-Curie fellow (chemistry, organic synthesis, ionic liquids)}}&lt;br /&gt;
{{TeamMember|Urmas|Urmas Johanson|researcher (electrochemistry)}}&lt;br /&gt;
{{TeamMember|Annaliisa|Anna-Liisa Peikolainen|researcher (carbon materials, chemistry)}}&lt;br /&gt;
{{TeamMember|Janno|Janno Torop|researcher (flow cell supercaps, carbon materials)}}&lt;br /&gt;
{{TeamMember|Saoni|Saoni Banerji| research fellow (CMOS MEMS sensors)}}&lt;br /&gt;
{{TeamMember|Morteza.Daneshmand|Morteza Daneshmand|research fellow (human-robot collaboration in manufacturing), [[IMS robotics]]}}&lt;br /&gt;
{{TeamMember|Artur|Artur Abels|teaching assistant (digital electronics)}}&lt;br /&gt;
{{TeamMember|Roman|Roman Leinus|engineer (robotics)}}&lt;br /&gt;
{{TeamMember|Teet|Teet Tilk|engineer (electronics)}}&lt;br /&gt;
{{TeamMember|Tauri|Tauri Tätte|engineer (robotics)}}&lt;br /&gt;
{{TeamMember|Mariana|Mariana Raudsepp|assistant}}&lt;br /&gt;
{{TeamMember|Kadri.tonnisson|Kadri Tõnnisson|project coordinator}}&lt;br /&gt;
{{TeamMember|Ingridre|Ingrid Rebane|project assistant/PhD student}}&lt;br /&gt;
}}&lt;br /&gt;
&lt;br /&gt;
== PhD Students ==&lt;br /&gt;
&lt;br /&gt;
{{Team|&lt;br /&gt;
{{TeamMember|Arko|Arko Kesküla|PhD student (ionic liquid polymerization); supervisors: A.-L. Peikolainen, U. Mäeorg}}&lt;br /&gt;
{{TeamMember|kaur|Kaur Leemets|PhD student (printable sensors)}}&lt;br /&gt;
{{TeamMember|Zane|Zane Zondaka|PhD student (Conductive polymers carbon composites)}}&lt;br /&gt;
{{TeamMember|Robertvalner|Robert Valner|PhD student (robotics, [[IMS robotics]])}}&lt;br /&gt;
{{TeamMember|Kivilo|Alo Kivilo|PhD student (Conducting polymers)}}&lt;br /&gt;
{{TeamMember|faiza|Faiza Summer|PhD student (Flow-capacitor)}}&lt;br /&gt;
{{TeamMember|Pille|Pille Rinne|PhD student}}&lt;br /&gt;
{{TeamMember|madis.harjo|Madis Harjo|PhD student (nanocarbon composites)}}&lt;br /&gt;
{{TeamMember|Fred|Fred Elhi|PhD student (microfabrication, EAP)}}&lt;br /&gt;
{{TeamMember|hans_priks|Hans Priks|PhD student (conducting polymers)}}&lt;br /&gt;
{{TeamMember|Kristiankuppart|Kristian Kuppart|PhD student (MD in high electric fields)}}&lt;br /&gt;
{{TeamMember|karlkaru|Karl Karu|PhD student}}&lt;br /&gt;
{{TeamMember|Aru.arvndn|Aravindan Sooryanarain|PhD student (robot manipulators, [[IMS robotics]])}}&lt;br /&gt;
{{TeamMember|Helena.nulk|Helena Nulk|PhD student (collaborative robotics, [[IMS robotics]])}}&lt;br /&gt;
{{TeamMember|Ingridre|Ingrid Rebane|PhD student (PDMS foams)}}&lt;br /&gt;
{{TeamMember|ye.wang|Ye Wang|PhD student (Design and development of tailored nanostructures)}}&lt;br /&gt;
}}&lt;br /&gt;
&lt;br /&gt;
==Students==&lt;br /&gt;
&lt;br /&gt;
{{Team|&lt;br /&gt;
{{TeamMember|markus|Markus Loide|student}}&lt;br /&gt;
{{TeamMember|aare|Robert Aare|student (FEM simulations, TTM)}}&lt;br /&gt;
{{TeamMember|Liivak|Martin Liivak|student (FEM simulations of 3D-MB's)}}&lt;br /&gt;
{{TeamMember|Priit.poldmaa|Priit Põldmaa|student}}&lt;br /&gt;
{{TeamMember|raunoumborg|Rauno Umborg|student (computer engineering)}}&lt;br /&gt;
{{TeamMember|Kaarelsiimut|Kaarel Siimut|student (aerated concrete)}}&lt;br /&gt;
{{TeamMember|Ingmar.laan|Ingmar Laan|student (ionic polymer actuators)}}&lt;br /&gt;
{{TeamMember|Johannes.muru|Johannes Muru|student}}&lt;br /&gt;
{{TeamMember|Hermanratas|Herman Klas Ratas|student}}&lt;br /&gt;
{{TeamMember|Kadriannvaldur|Kadri-Ann Valdur|student (PPy actuators)}}&lt;br /&gt;
{{TeamMember|Ats.aasmaa|Ats Aasmaa|student (modelling of microbatteries)}}&lt;br /&gt;
{{TeamMember|Gryogor|Igor Rybalskii|student (robotics)}}&lt;br /&gt;
{{TeamMember|Houman.masnavi|Houman Masnavi|student (robotics and computer engineering)}}&lt;br /&gt;
{{TeamMember|Phuong.nguyen|Phuong Nguyen|student (FEM simulations)}}&lt;br /&gt;
{{TeamMember|FabianPG11|Fabian Ernesto Parra Gil|student (robotic frameworks)}}&lt;br /&gt;
{{TeamMember|Karinasein|Karina Sein|student (human-robot communcation)}} &lt;br /&gt;
{{TeamMember|Magnus.kaldjarv|Magnus Kaldjärv|student (soft robotics)}}&lt;br /&gt;
{{TeamMember|Mkuuts|Mona Küüts|student (soft robotics)}}&lt;br /&gt;
{{TeamMember|Silvia.aabloo|Silvia Hiie Aabloo|student (soft robotics)}}&lt;br /&gt;
{{TeamMember|Oleksandr.syzoniuk|Oleksandr Syzoniuk|student (soft robotics)}}&lt;br /&gt;
}}&lt;br /&gt;
&lt;br /&gt;
==Colleagues==&lt;br /&gt;
&lt;br /&gt;
{{Team|&lt;br /&gt;
{{TeamMember|Rosin|Margus Rosin|lecturer (FPGA)}}&lt;br /&gt;
{{TeamMember|Frkaasik|Friedrich Kaasik|ex-PhD student (carbon-polymer actuators)}}&lt;br /&gt;
{{TeamMember|Heilo|Heilo Altin|educational robotics}}&lt;br /&gt;
{{TeamMember|Ramon.rantsus|Ramon Rantsus|educational robotics}}&lt;br /&gt;
{{TeamMember|Arturt|Artur Tamm| at LLNL [https://qsg.llnl.gov/node/89.html QSG LLNL]}}&lt;br /&gt;
{{TeamMember|Aleksander|Aleksander Tõnnisson|[http://buildit.ee Buildit] (Hardware accelerator) CEO}}&lt;br /&gt;
{{TeamMember|Veix|Veiko Vunder|Clearbot.eu}}&lt;br /&gt;
{{TeamMember|katlin.rohtlaid|Kätlin Rohtlaid}}&lt;br /&gt;
{{TeamMember|Grecebo|Inga Põldsalu|postdoc at University of Oslo, [https://www.med.uio.no/ncmm/english/people/aca/inga/index.html Bionanotechnology and Membrane Systems]}}&lt;br /&gt;
}}&lt;/div&gt;</summary>
		<author><name>Vahur</name></author>
	</entry>
	<entry>
		<id>https://ims.ut.ee/index.php?title=Student_projects&amp;diff=18727</id>
		<title>Student projects</title>
		<link rel="alternate" type="text/html" href="https://ims.ut.ee/index.php?title=Student_projects&amp;diff=18727"/>
		<updated>2018-09-25T05:56:55Z</updated>

		<summary type="html">&lt;p&gt;Vahur: /* Materials science in CERN */&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;[[Image:IMS poster.png|300px|right]]&lt;br /&gt;
&lt;br /&gt;
''Siin on mõned tegemised, mide meie uurimisgrupi juures on võimalik teha. Tegemist pole lõpliku nimekirjaga ning head tegijad on alati oodatud huvitavate ideedega. Kõikidest teemadest on võimalik edasi minna kuni PhD kaitsmiseni.''&lt;br /&gt;
''Huvi korral [[User:Alvo#Contacts|võta ühendust]]''. Mõnede teemade kirjeldused on inglise keeles. &lt;br /&gt;
&lt;br /&gt;
='''Üldine info bakalaureuse- ja magistritöö tegijatele'''=&lt;br /&gt;
&lt;br /&gt;
Teil on kaks juhendajat. Eeldame, et te vähemalt kord nädalas võtate vähemalt ühe juhendajaga kontakti ja arutate läbi oma mured ja tegemised. Lisaks ootame tudengitelt aktiivset osavõttu kord nädalas toimuvast labori seminarist ja journal club'ist, kus harjutatakse avalikku esinemist, et kaitsmisel oleks lihtsam.&lt;br /&gt;
&lt;br /&gt;
Tudeng sõlmib juhendajatega individuaalse juhendamise lepingu, kus täpsustatakse töökorraldus ja oodatavad tulemused&lt;br /&gt;
&lt;br /&gt;
Töö esimene versioon peab olema esitatud hiljemalt 1. maiks. &lt;br /&gt;
Esimene version peab sisaldama:&lt;br /&gt;
# sissejuhatust, mis räägib, miks projekti tulemus on vajalik ja mida teised selles valdkonnas maailmas teinud on;&lt;br /&gt;
# projekti teoreetilisi/matemaatilisi/mudeli aluseid lahti kirjutatuna;&lt;br /&gt;
# tehtud tegevuse detailset kirjeldust (detaile pole kunagi liiga palju, delete on lihtsaim funktsioon, mida juhendaja teie kirjaliku töö ümber kirjutamisel :) teha saab);&lt;br /&gt;
# töö tulemusi, st kas mõõtmistulemusi või seadme töötava! prototüübi tehniline kirjeldust ja seadet ennast;&lt;br /&gt;
# hinnangut oma tööle, st töö tulemuste edasise arengu analüüsi, tulemuste analüüsi ja hinnangut töö tulemuse kvaliteedile.&lt;br /&gt;
&lt;br /&gt;
'''Töö kaitsmisele lubamiseks on kohustuslik läbida laborisisene eelkaitsmine, vajadusel korduv'''. Eelkaitsmiste ajagraafik kuulutatakse välja igal aastal aprillis. Arvestada tuleb ajaliste piirangutega-  Eelkaitsmisele õigeaegne registreerumine on tudengi kohustus.&lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
&amp;lt;!-- This is a comment ---&amp;gt;&lt;br /&gt;
= ''' Koostööprojektid ettevõtetega (BSC/MSC theses in collaboration with companies)'''=&lt;br /&gt;
== ABB Eesti / ABB Estonia ==&lt;br /&gt;
Lõputööde teemad mis on seotud koostööga ABB AS Eestiga. Töö läbi viimisel on kaasatud kaasjuhendaja ABB poolelt koos praktiseerimisvõimalusega ABB-s.&lt;br /&gt;
&lt;br /&gt;
Following topics are conducted in collaboration with ABB Estonian branch. All the topics include co-supervision from ABB.&lt;br /&gt;
&lt;br /&gt;
* [[Utilization of Virtual Reality in Product Development of a VSD cabinet]]&lt;br /&gt;
* [[Electric and magnetic field analyses in ALT tester]]&lt;br /&gt;
* [[Creation of accurate contact modelling technique for linear FEM-analysis]]&lt;br /&gt;
&lt;br /&gt;
==Materjalide arendus tööstusele==&lt;br /&gt;
&lt;br /&gt;
Projekti raames lahendatakse erinevate tööstuspartnerite tehnoloogilisi probleeme või arendatakse neile uusi tooteid. Mõned näited: &lt;br /&gt;
* mittepõlev silikoonvaht istmepolstrite jm pehmenduste jaoks;&lt;br /&gt;
* mikroarmatuuriga poorbetoon, mis oleks korraga konstruktsiooni- ja isolatsioonimaterjal;&lt;br /&gt;
* kiirbetooni omaduste optimeerimine&lt;br /&gt;
* šlakigraanulite taaskasutus&lt;br /&gt;
* klaasi keemiline karastamine&lt;br /&gt;
&lt;br /&gt;
= '''Liitium- ja naatriumakud (Li-Ion and Na-Ion batteries)''' =&lt;br /&gt;
&lt;br /&gt;
Kaasaskantav mikroakutoide on oluliseks faktoriks paljudes arenevates tehnoloogiasuundades, kuna mikroelektroonika mõõtmete vähenemine on jätnud kaugele seljataha väikesemõõduliste vooluallikate arengu. Sobivate kaasaskantavate vooluallikate vähene energiamahtuvus on saamas takistuseks mitmete tehnoloogiasuundade nagu kaasaskantavate arvutusseadmete (Weareable Computing Technology e. WCT), mikroelektromehaaniliste seadmete (MEMS), biomeditsiiniliste mikromasinate arengus. Üheks võtmeprobleemiks selliste seadmete edukaks toimimiseks on nende varustamine vooluallikatega, mis ühelt küljelt tagavad seadme piisava energiahulgaga varustamise ning teiselt küljelt, on võimalikult väikesemõõduised ning kergekaalulised. Sellise konfiguratsiooni juures tulevad ilmsiks olemasolevate, olemuselt kahemõõtmeliste (2D) liitium-ioonakude puudused – nii väikeste ruum- ja pindalade puhul ei ole võimalik saavutada piisavaid energiatihedusi. Seda probleemi võimaldab lahendada 3D mikroakude (MB) kasutusele võtmine. Liitiumioonakude arhitektuuri optimeerimise eesmärgiks on valmistada töötav 3D-MB, mille energiatihedus ning mahtuvus on vähemalt suurusjärgu võrra suuremad praegu kasutusel olevate akude omadest. Toimiva 3D-MB välja töötamiseks arendatakse ja uuritakse erinevaid mikroaku arhitektuure, neist sobiva väljavalimist ning optimeerimist lihtsustavad oluliselt teoreetilised, arvutisimulatsioonidega läbi viidavad uuringud, mis võimaldavad testida erinevaid 3D-MB arhitektuure, lahendada optimeerimisülesandeid elektroodide optimaalse geomeetria leidmiseks; optimeerida elektroodi pinda; uurida terve aku käitumist laadimisel-tühjakslaadimisel; optimeerida sobivaid mikroaku arhitektuure. Meetodid makrotasandis, mida selliste uuringute läbiviimiseks kasutatakse on lõplike elementide meetod (LEM) ning mikrotasandil molekulaardünaamilise simulatsiooni meetod (MD). Simulatsioonide läbiviimiseks kasutatakse LEM-i puhul tarkvarapakette COMSOL Multiphysics ja Elmer ning MD puhul tarkvarapaketti dl_poly.&lt;br /&gt;
&lt;br /&gt;
* [[3D-mikroakud]]&lt;br /&gt;
* [[Akude valmistamine printimistehnoloogia abil]]&lt;br /&gt;
&lt;br /&gt;
='''Materials science in CERN'''=&lt;br /&gt;
&lt;br /&gt;
CERN is one of the leading research centres in the Europe, responsible for several key science and technology breakthroughs such as confirmation of Higgs boson and internet. It boosts constant research and development in many different fields next to fundamental particle or nuclear physics, such as materials science. One of the resent developments is new CLIC accelerator, intended for both, precise measurements of Higgs boson and probing new, beyond standard model physics. However, development of CLIC has significant materials science related issues: it utilizes huge electric fields to accelerate particles and suffers significant electric field related material surface damage([[Electrical breakdowns in CLIC accelerator]] ).&lt;br /&gt;
&lt;br /&gt;
The work conducted during this project is part of larger international collaboration including CERN, Finland, Sweden, Israel and more. Participation will include a lot of challenging work, but offers possibilities to take part from CERN summer student projects, have visits to collaborating groups and publish cutting edge research results early on. For example, so far, all related masters theses have yielded at least one research paper! These topics have not only opened up opportunities for follow up PhD studies in Tartu University but also in Helsinki University and EMPA (part of ETH domain in Switzerland).&lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
'''Only some examples of current extremely interesting topics are presented below.''' While some topics are more physics focused, others are more suitable for Computer Engineering curricula students!&lt;br /&gt;
&lt;br /&gt;
(We are always open to your own ideas and suggestions considering possible thesis topic!!!!)&lt;br /&gt;
&lt;br /&gt;
* DFT simulations of Cu under external electric field&lt;br /&gt;
* Electric field influence to the interatomic potentials in Molecular Dynamics studies&lt;br /&gt;
* Nanoscale metal surface under RF electriomagnetic field&lt;br /&gt;
* Influence of nanoscale surface defects to the electron emission and electrical conductivity of the material&lt;br /&gt;
* Influence of the electric field to the generation of surface defects using in situ SEM and computer simulations&lt;br /&gt;
* [[Thermal runaway simulation with Femocs code and Poisson solver]]&lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
Software devfelopment related to [https://github.com/veskem/femocs Femocs] development ('''suitable also for computer engineering students'''):&lt;br /&gt;
* implement new physics into [https://github.com/veskem/femocs Femocs] code such as elastisity, stresses, fluid dynamics for simulating molten nanotips&lt;br /&gt;
* implement 2nd order tetrahedral FEM solver&lt;br /&gt;
* implement Voronoi FEM solver&lt;br /&gt;
* implement mesh builder that uses previous mesh as starting point&lt;br /&gt;
* implement more advanced (and parallel) mesh smoothing&lt;br /&gt;
* increase parallelization (look / implement parallel mesh generators,  parallelize coordination calculation that uses splitted nborlist, parallelize &amp;amp; optimize tet-&amp;gt;hex conversion)&lt;br /&gt;
&lt;br /&gt;
Contact: Vahur Zadin (vahur.zadin@ut.ee)&lt;br /&gt;
&lt;br /&gt;
= '''Eksperimentaalne materjaliteadus''' =&lt;br /&gt;
&lt;br /&gt;
==Bioühilduvad elektroaktiivsed polümeerid==&lt;br /&gt;
&lt;br /&gt;
(23.08.2018)&lt;br /&gt;
&lt;br /&gt;
Bioinspireeritud robootika on tänapäeva inseneritehnoloogia ja teaduse peamisi arengusuundi. Traditsioonilised aktuaatorid ei ole pehmetes ja painduvates seadmetes rakendatavad, seega on juba aastakümneid uuritud elektroaktiivseid polümeerseid täitureid (''electroactive polymer'' - EAP). EAP-de silmapaistvaks omaduseks on nende multifunktsionaalsus: materjali saab rakendada nii aktuaatori (omadused muutuvad elektrivälja toimel) kui ka sensorina (muutus keskkonna tingimustes põhjustab detekteeritavat elektrivoolu). Elektroaktiivsete polümeeride ühe rakendusena on välja pakutud mitmesugused meditsiiniseadmed (implanteeritavad sensorid, drug delivery seadmed, ...). Nõudmised materjalile on kõrged: ideaalne aktuaator omab laia liigutusulatust juba madalal pingel, on kiire, kerge, vastupidav ning lihtsalt ja odavalt toodetav. Lisaks peab materjal olema bioühilduv. &lt;br /&gt;
&lt;br /&gt;
Antud projekti eesmärk on välja töötada bioühilduv ioonne elektromehaaniline polümeerne täitur (''ionic electroactive polymer'' - IEAP). Uuritav materjal koosneb juhtivpolümeersete või süsinikelektroodide vahele paigutatud biopolümeersest membraanist, elektrolüüdina kasutatakse madala toksilisusega looduslikku päritolu ioonseid vedelikke. Bakalaureuse ja magistritöö teemasid on välja pakkuda projekti erinevates etappides: &lt;br /&gt;
* Ioonsete vedelike süntees ja karakteriseerimine&lt;br /&gt;
* Ioonsete vedelike segude uurimine nii eksperimentaalselt kui arvutuskeemia meetodeid kasutades&lt;br /&gt;
* Süsinikelektroodidega IEAP valmistamine pihustusmeetodil kasutades lähteainetena mitmesuguseid biopolümeere ja madala toksilisusega ioonseid vedelikke&lt;br /&gt;
* Erinevate ioonsete vedelike testimine juhtivpolümeersete (polüpürrool) elektroodidega IEAPs: optimaalse polüpürrooli struktuuri ja sünteesiparameetrite otsimine erinevate ioonsete vedelike jaoks&lt;br /&gt;
* Biopolümeersete membraanide valmistamine elektrospinnimise teel ja saadud materjalide testimine juhtivpolümeersete IEAP-de valmistamiseks&lt;br /&gt;
* ''deep eutectic solvents'' kui alternatiiv ioonsetele vedelikele: kas on rakendatav IEAP-des?&lt;br /&gt;
&lt;br /&gt;
== Süsinikelektroodidega polümeersed täiturid==&lt;br /&gt;
&lt;br /&gt;
Kunstlihaseid ehk elektroaktiivseid polümeerseid täitureid on väga palju erinevaid. Nanopoorsest süsinikust elektroodidega ioonsed täiturid töötavad madalpingel ning neil on mitmed eelised kasutamiseks mikroseadmetes ja meditsiinis. Hetkel on uurimisel kaks suunda. Esimese eesmärk on arendada kunstlihasetes kasutatavaid ioonvedelik-süsinik-polümeer komposiite, kasutades selleks erinevaid süsinikmaterjale (süsinikaerogeeli, karbiidset süsinikku, süsiniknanotorusid jpt), ioonseid vedelikke, polümeere. Teine suund keskendub uute kunstlihase valmistamise tehnoloogiate rakendamisele. Uurime materjalide omadusi ja toimimismehhanisme, et kasutada neid aktuaatorite ning sensoritena. Bakalaureuse- ja magistritööks on teemasid mõlemast suunast:&lt;br /&gt;
* uut tüüpi nanomaterjali kasutamine täituri elektroodina&lt;br /&gt;
* süsinik-kserogeeli valmistamine ja struktuur-omadus seoste uurimine&lt;br /&gt;
* täituri valmistamine vurrkatmise meetodil (spin-coating)&lt;br /&gt;
&lt;br /&gt;
==Kunstlihased kosmoserakendustes==&lt;br /&gt;
&lt;br /&gt;
Meie poolt valmistatavad materjalid on kerged ning juhitavad madalate elektripingetega. Seetõttu pakuvad nad huvi kosmosetehnoloogia seadmete valmistajatele.&lt;br /&gt;
Töö eesmärgiks on uurida kiirguse, temperatuuri jpt kosmoses materjalidele mõjuvate kahjustavate toimete mõju.&lt;br /&gt;
&lt;br /&gt;
==Juhtivpolümeeridel põhinevate mitmekihiliste kunstlihaste valmistamine ja iseloomustamine==&lt;br /&gt;
&lt;br /&gt;
Kunstlihased, sensorid ja energiahõiveseadmed on elektritjuhtivate orgaaniliste polümeeride uudsemateks ja põnevamateks arengusuundadeks.  Neid loodetakse kasutada meditsiinis, robootikas,  kosmose- ja militaartööstuses.  Enne laiaulatuslikku kasutuselevõttu on siiski vaja veel teha hulk arendustööd.  Mitmekihilise disain loob eeldused juhtivpolümeerse materjali paremaks kontrollimiseks ning tema omaduste parandamiseks.  TÜ IMS laboris on välja töötatud uudsed sünteesimeetodid metallivabade kunstlihaste valmistamiseks.  Senistel lihtsa ühekihilise struktuuriga materjalidel on mitmeid puudusi (juhtuvuse langus, tundlikus väliskeskkonna mõjudele). Aktuatsiooni tekitavale polümeerikihile vastupidise ioonliikuvusega kihtide lisamine loob eelduse neid puudusi vältida.&lt;br /&gt;
&lt;br /&gt;
==Süsinikelektroodidega täiturmaterjali tööstusliku tootmise ettevalmistamine==&lt;br /&gt;
&lt;br /&gt;
Projekti sisuks on välja töötada materjal ja metoodika kuidas valmistada süsinikelektroodidega täitureid tööstuslikke protsesse kasutades. Töö laiem eesmärk on selliste materjalide masstootmine.&lt;br /&gt;
&lt;br /&gt;
==Biokütuseelement==&lt;br /&gt;
&lt;br /&gt;
Biokütuseelement on bioreaktor, mis muundab orgaaniliste ühendite keemiliste sidemete energia elektrienergiaks. Näiteks glükoosil ja hapnikul töötavad biokütuseelemendid, mis on võimelised energiat korjama erinevates bioloogilistest vedelikest, on paljulubavad seadmed rakendamiseks energiaallikatena mitmesugustes bioelektrilistes implantaatides nagu insuliinipumbad, ravimidosaatorid, närvistimulaatorid, südamestimulaatorid. Antud projekt tegeleb uudse elektroodimaterjali väljatöötamisega biokütuseelemendi jaoks.&lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
==Pehmed kantavad sensorid==&lt;br /&gt;
&lt;br /&gt;
Kõikvõimaliku kantava elektroonika populaarsuse kasv on suurendanud huvi pehmete sensorite vastu, mis mõõdaksid objektide (näiteks inimese keha) kuju ja asendit ilma liikumist takistamata. Senise uurimistöö käigus on välja töötatud sensortald, mis võimaldab sportlasel jälgida jala aluse rõhu jaotust aga ka igal sammul rakendatavat võimsust. Mitmekihiliste elastsete sensorite võrgustik suudab jälgida kehakuju muutust või liikumist, mõõtes korraga nii pikenemist kui painet. Uurimistöö jätkub erinevate uudsete jala- ja keha sensorite väljatöötamiseks.&lt;br /&gt;
&lt;br /&gt;
= '''Arvutieksperimendid ja materjalide simuleerimine''' =&lt;br /&gt;
&lt;br /&gt;
==Kunstlihaste materjalide uurimine erinevate arvutisimulatsioonimeetodite abil==&lt;br /&gt;
&lt;br /&gt;
* Tegemist on materjaliga, mida välise elektriväljaga on võimalik panna kuju muutma: painduma, punduma, kokku tõmbuma - nagu teeb reaalne lihas&lt;br /&gt;
* kunstlihase materjal võib ka reageerida välisele mehaanilisele kujumuutusele elektrilise signaaliga&lt;br /&gt;
* kunstlihas tegutseb hääletult, olles ise mõõtmetelt väga väike&lt;br /&gt;
* kunstlihase materjalidena uuritakse selliseid &amp;quot;hitte&amp;quot; nagu grafeen ja ioonvedelik&lt;br /&gt;
* arvutisimulatsioonid viivad sind materjali &amp;quot;sisse&amp;quot;, võimaldades näha seda, mis katses jääb varju, anda infot toimuvate protsesside kohta ja näpunäiteid materjalide parendamiseks&lt;br /&gt;
* tahad teda, kuidas liigutab 2 cm pikkune riba kunstlihast? võta lõplike lementide meetod ja sa näed ära pinged ja deformatsioonid kujumuutmisel&lt;br /&gt;
* tahad teada, kuidas elektroodide kuju muutmine mõjutab liitiumioonaku mahtuvust - seda, kui kaua sinu elektriauto mööda Tartu-Tallinna maanteed suudaks kihutada? võta lõplike elementide meetod ja sa saad välja arvutada aku tühjenemise kiiruse sinu elektriauto toitmisel&lt;br /&gt;
* tahad teada, kuidas liiguvad ja mõjutavad üksteist aatomid ja molekulid kunstlihases ja liitiumioonaku elektroodides ning elektrolüüdis? võta molekulaardünaamiline simulatsioon ja sa saad siseneda maailma, mis on 10000 korda väiksem sinu juuksekarva läbimõõdust&lt;br /&gt;
* tahad virtuaalselt istuda iga aatomi peal ja näha, kuidas ühe aatomi elektronpilv lööb teise oma segamini? võta kvantkeemiline molekulaardünaamika ja sinu sõit lainefunktsioonide harjadel on pöörasem kui Ristna neemel Katja ajal.&lt;br /&gt;
&lt;br /&gt;
= '''Aktuaatorid, seadmed ja nende juhtimine''' =&lt;br /&gt;
&lt;br /&gt;
==IPMC täitureid kasutava autonoomse seadme konstrueerimine==&lt;br /&gt;
&lt;br /&gt;
Eesmärgiks on nn kunstlihaseid kasutavate materjalide abil liikuvate autonoomsete seadmete konstrueerimine ning töö kirjeldamine. Valik ideid: &amp;quot;putukas&amp;quot;, ratas, minipurilennuk, mikrohumanoid jne.&lt;br /&gt;
&lt;br /&gt;
==Süsinik-polümeermaterjalidest täiturite juhtimine==&lt;br /&gt;
&lt;br /&gt;
Töö eesmärgiks on parametriseerida ning uurida materjaliteadlaste poolt laboris loodud uudsete materjalide elektromehaanilisi omadusi. St. vajalike elektromehaaniliste ja füüsikaliskeemiliste mudelite loomine, nende mudelite kirjeldamine ning eksperimentaalsete tulemuste vastu kinnitamine. Töö sobib (erinevates mahtudes) bakalaureus, magistri ja doktoritöödeks. Vajalik on võõrkeele oskus ning soov ja võimalus töötada aegajalt erinevates laborites välismaa ülikoolides.&lt;br /&gt;
&lt;br /&gt;
= '''Robotics''' =&lt;br /&gt;
&amp;lt;big&amp;gt;Click [[student projects in robotics|here]] for [[student projects in robotics]]&amp;lt;/big&amp;gt;&lt;br /&gt;
&lt;br /&gt;
= '''Soft Robotics''' =&lt;br /&gt;
[[soft robotics student projects|Currently active and relevant topics for soft robotics]]&lt;br /&gt;
&lt;br /&gt;
= '''Partneritega seotud teemad''' =&lt;br /&gt;
&lt;br /&gt;
==Kõrgkoolide õppekavade masinõppel põhinev analüüs==&lt;br /&gt;
&lt;br /&gt;
Projekti eesmärgiks on arendada masinõppel põhinev tarkvara, mis suudaks automaatselt analüüsida ja kaardistada Tartu Ülikooli õppekavade ning nendes loetavate ainete sisu viisil, et oleks jooksvalt võimalik hinnata õppekvaliteeti ja selle vastavust tööturu reaalsetele vajadustele. '''Eriti sobilik tudengitele,''' kellel on lisaks erialasele huvile soov kokkupuutuda '''startup''' ja tehnoloogia ettevõttlusega. &lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
'''Bakalaureuse- või magistritöö käigus loodav praktiline tarkvaralahendus:'''&lt;br /&gt;
* analüüsib õppekavade terviklikkust, erinevate moodulite ja õppeainete vaheliste seoste sidusust, vastavust õppekava ja mooduli üldeesmärkidele,&lt;br /&gt;
* analüüsib jooksvalt õppekavade vastavust tööturu vajadustele lähtuvalt töötajatele reaalselt esitatavatest kvalifikatsiooni nõuetest,&lt;br /&gt;
* annab õppejõududele ja programmijuhtidele infot võimalikest kattuvustest, puuduvatest eelteadmistest õppeainetele ja arenguvajadustest,&lt;br /&gt;
* võimaldab arendada ühismooduleid ja õppeaineid erinevate õppekavade vahel eeldusteadmiste lünkadeta ja kattuvusteta,&lt;br /&gt;
* võimaldab hinnata ja võrrelda juba olemasolevate ja veel loodavate õppekavade konkurentsivõimet teiste koolide sarnaste õppekavadega.&lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
'''Antud lõputöö kontekstis olulised märksõnad on:'''&lt;br /&gt;
* suurandmed ja andmekaeve (big data &amp;amp; data mining)&lt;br /&gt;
* masinõppe algoritmid (machine learning)&lt;br /&gt;
* andmete visualiseerimine (data visualization)&lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
Lõputööd juhendab Aleksander Tõnnisson, kes on teinud üle 40-ne investeeringu iduettevõtetesse.&lt;br /&gt;
&lt;br /&gt;
= '''Õppetööga seotud''' =&lt;br /&gt;
== Juhendmaterjali koostamine koolirobootika tarbeks==&lt;br /&gt;
Töö eesmärgiks on koostada õpetajatele juhendmaterjale ja põnevaid tööülesandeid robootikast, aga samuti ülesandeid, mis aitavad lastel õppida füüsikat, matemaatikat, keemiat ja bioloogiat.&lt;br /&gt;
--&amp;gt;&lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
&amp;lt;!--&lt;br /&gt;
[[vanad teemad]]&lt;br /&gt;
--&amp;gt;&lt;/div&gt;</summary>
		<author><name>Vahur</name></author>
	</entry>
	<entry>
		<id>https://ims.ut.ee/index.php?title=Student_projects&amp;diff=18726</id>
		<title>Student projects</title>
		<link rel="alternate" type="text/html" href="https://ims.ut.ee/index.php?title=Student_projects&amp;diff=18726"/>
		<updated>2018-09-25T05:56:15Z</updated>

		<summary type="html">&lt;p&gt;Vahur: /* Materials science in CERN */&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;[[Image:IMS poster.png|300px|right]]&lt;br /&gt;
&lt;br /&gt;
''Siin on mõned tegemised, mide meie uurimisgrupi juures on võimalik teha. Tegemist pole lõpliku nimekirjaga ning head tegijad on alati oodatud huvitavate ideedega. Kõikidest teemadest on võimalik edasi minna kuni PhD kaitsmiseni.''&lt;br /&gt;
''Huvi korral [[User:Alvo#Contacts|võta ühendust]]''. Mõnede teemade kirjeldused on inglise keeles. &lt;br /&gt;
&lt;br /&gt;
='''Üldine info bakalaureuse- ja magistritöö tegijatele'''=&lt;br /&gt;
&lt;br /&gt;
Teil on kaks juhendajat. Eeldame, et te vähemalt kord nädalas võtate vähemalt ühe juhendajaga kontakti ja arutate läbi oma mured ja tegemised. Lisaks ootame tudengitelt aktiivset osavõttu kord nädalas toimuvast labori seminarist ja journal club'ist, kus harjutatakse avalikku esinemist, et kaitsmisel oleks lihtsam.&lt;br /&gt;
&lt;br /&gt;
Tudeng sõlmib juhendajatega individuaalse juhendamise lepingu, kus täpsustatakse töökorraldus ja oodatavad tulemused&lt;br /&gt;
&lt;br /&gt;
Töö esimene versioon peab olema esitatud hiljemalt 1. maiks. &lt;br /&gt;
Esimene version peab sisaldama:&lt;br /&gt;
# sissejuhatust, mis räägib, miks projekti tulemus on vajalik ja mida teised selles valdkonnas maailmas teinud on;&lt;br /&gt;
# projekti teoreetilisi/matemaatilisi/mudeli aluseid lahti kirjutatuna;&lt;br /&gt;
# tehtud tegevuse detailset kirjeldust (detaile pole kunagi liiga palju, delete on lihtsaim funktsioon, mida juhendaja teie kirjaliku töö ümber kirjutamisel :) teha saab);&lt;br /&gt;
# töö tulemusi, st kas mõõtmistulemusi või seadme töötava! prototüübi tehniline kirjeldust ja seadet ennast;&lt;br /&gt;
# hinnangut oma tööle, st töö tulemuste edasise arengu analüüsi, tulemuste analüüsi ja hinnangut töö tulemuse kvaliteedile.&lt;br /&gt;
&lt;br /&gt;
'''Töö kaitsmisele lubamiseks on kohustuslik läbida laborisisene eelkaitsmine, vajadusel korduv'''. Eelkaitsmiste ajagraafik kuulutatakse välja igal aastal aprillis. Arvestada tuleb ajaliste piirangutega-  Eelkaitsmisele õigeaegne registreerumine on tudengi kohustus.&lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
&amp;lt;!-- This is a comment ---&amp;gt;&lt;br /&gt;
= ''' Koostööprojektid ettevõtetega (BSC/MSC theses in collaboration with companies)'''=&lt;br /&gt;
== ABB Eesti / ABB Estonia ==&lt;br /&gt;
Lõputööde teemad mis on seotud koostööga ABB AS Eestiga. Töö läbi viimisel on kaasatud kaasjuhendaja ABB poolelt koos praktiseerimisvõimalusega ABB-s.&lt;br /&gt;
&lt;br /&gt;
Following topics are conducted in collaboration with ABB Estonian branch. All the topics include co-supervision from ABB.&lt;br /&gt;
&lt;br /&gt;
* [[Utilization of Virtual Reality in Product Development of a VSD cabinet]]&lt;br /&gt;
* [[Electric and magnetic field analyses in ALT tester]]&lt;br /&gt;
* [[Creation of accurate contact modelling technique for linear FEM-analysis]]&lt;br /&gt;
&lt;br /&gt;
==Materjalide arendus tööstusele==&lt;br /&gt;
&lt;br /&gt;
Projekti raames lahendatakse erinevate tööstuspartnerite tehnoloogilisi probleeme või arendatakse neile uusi tooteid. Mõned näited: &lt;br /&gt;
* mittepõlev silikoonvaht istmepolstrite jm pehmenduste jaoks;&lt;br /&gt;
* mikroarmatuuriga poorbetoon, mis oleks korraga konstruktsiooni- ja isolatsioonimaterjal;&lt;br /&gt;
* kiirbetooni omaduste optimeerimine&lt;br /&gt;
* šlakigraanulite taaskasutus&lt;br /&gt;
* klaasi keemiline karastamine&lt;br /&gt;
&lt;br /&gt;
= '''Liitium- ja naatriumakud (Li-Ion and Na-Ion batteries)''' =&lt;br /&gt;
&lt;br /&gt;
Kaasaskantav mikroakutoide on oluliseks faktoriks paljudes arenevates tehnoloogiasuundades, kuna mikroelektroonika mõõtmete vähenemine on jätnud kaugele seljataha väikesemõõduliste vooluallikate arengu. Sobivate kaasaskantavate vooluallikate vähene energiamahtuvus on saamas takistuseks mitmete tehnoloogiasuundade nagu kaasaskantavate arvutusseadmete (Weareable Computing Technology e. WCT), mikroelektromehaaniliste seadmete (MEMS), biomeditsiiniliste mikromasinate arengus. Üheks võtmeprobleemiks selliste seadmete edukaks toimimiseks on nende varustamine vooluallikatega, mis ühelt küljelt tagavad seadme piisava energiahulgaga varustamise ning teiselt küljelt, on võimalikult väikesemõõduised ning kergekaalulised. Sellise konfiguratsiooni juures tulevad ilmsiks olemasolevate, olemuselt kahemõõtmeliste (2D) liitium-ioonakude puudused – nii väikeste ruum- ja pindalade puhul ei ole võimalik saavutada piisavaid energiatihedusi. Seda probleemi võimaldab lahendada 3D mikroakude (MB) kasutusele võtmine. Liitiumioonakude arhitektuuri optimeerimise eesmärgiks on valmistada töötav 3D-MB, mille energiatihedus ning mahtuvus on vähemalt suurusjärgu võrra suuremad praegu kasutusel olevate akude omadest. Toimiva 3D-MB välja töötamiseks arendatakse ja uuritakse erinevaid mikroaku arhitektuure, neist sobiva väljavalimist ning optimeerimist lihtsustavad oluliselt teoreetilised, arvutisimulatsioonidega läbi viidavad uuringud, mis võimaldavad testida erinevaid 3D-MB arhitektuure, lahendada optimeerimisülesandeid elektroodide optimaalse geomeetria leidmiseks; optimeerida elektroodi pinda; uurida terve aku käitumist laadimisel-tühjakslaadimisel; optimeerida sobivaid mikroaku arhitektuure. Meetodid makrotasandis, mida selliste uuringute läbiviimiseks kasutatakse on lõplike elementide meetod (LEM) ning mikrotasandil molekulaardünaamilise simulatsiooni meetod (MD). Simulatsioonide läbiviimiseks kasutatakse LEM-i puhul tarkvarapakette COMSOL Multiphysics ja Elmer ning MD puhul tarkvarapaketti dl_poly.&lt;br /&gt;
&lt;br /&gt;
* [[3D-mikroakud]]&lt;br /&gt;
* [[Akude valmistamine printimistehnoloogia abil]]&lt;br /&gt;
&lt;br /&gt;
='''Materials science in CERN'''=&lt;br /&gt;
&lt;br /&gt;
CERN is one of the leading research centres in the Europe, responsible for several key science and technology breakthroughs such as confirmation of Higgs boson and internet. It boosts constant research and development in many different fields next to fundamental particle or nuclear physics, such as materials science. One of the resent developments is new CLIC accelerator, intended for both, precise measurements of Higgs boson and probing new, beyond standard model physics. However, development of CLIC has significant materials science related issues: it utilizes huge electric fields to accelerate particles and suffers significant electric field related material surface damage([[Electrical breakdowns in CLIC accelerator]] ).&lt;br /&gt;
&lt;br /&gt;
The work conducted during this project is part of larger international collaboration including CERN, Finland, Sweden, Israel and more. Participation will include a lot of challenging work, but offers possibilities to take part from CERN summer student projects, have visits to collaborating groups and publish cutting edge research results early on. For example, so far, all related masters theses have yielded at least one research paper! These topics have not only opened up opportunities for follow up PhD studies in Tartu University but also in Helsinki University and EMPA (part of ETH domain in Switzerland).&lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
'''Only some examples of current extremely interesting topics are presented below.''' While some topics are more physics focused, others are more suitable for Computer Engineering curricula students!&lt;br /&gt;
&lt;br /&gt;
(We are always open to your own ideas and suggestions considering possible thesis topic!!!!)&lt;br /&gt;
&lt;br /&gt;
* DFT simulations of Cu under external electric field&lt;br /&gt;
* Electric field influence to the interatomic potentials in Molecular Dynamics studies&lt;br /&gt;
* Nanoscale metal surface under RF electriomagnetic field&lt;br /&gt;
* Influence of nanoscale surface defects to the electron emission and electrical conductivity of the material&lt;br /&gt;
* Influence of the electric field to the generation of surface defects using in situ SEM and computer simulations&lt;br /&gt;
* [[Thermal runaway simulation with Femocs code and Poisson solver]]&lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
Software devfelopment related to [https://github.com/veskem/femocs Femocs] development ('''suitable also for computer engineering students'''):&lt;br /&gt;
* implement new physics into [https://github.com/veskem/femocs Femocs] code such as elastisity, stresses, fluid dynamics for simulating molten nanotips&lt;br /&gt;
* implement 2nd order tetrahedral FEM solver&lt;br /&gt;
* implement Voronoi FEM solver&lt;br /&gt;
* implement mesh builder that uses previous mesh as starting point&lt;br /&gt;
* implement more advanced (and parallel) mesh smoothing&lt;br /&gt;
* increase parallelization (look / implement parallel mesh generators,  parallelize coordination calculation that uses splitted nborlist, parallelize &amp;amp; optimize tet-&amp;gt;hex conversion)&lt;br /&gt;
&lt;br /&gt;
= '''Eksperimentaalne materjaliteadus''' =&lt;br /&gt;
&lt;br /&gt;
==Bioühilduvad elektroaktiivsed polümeerid==&lt;br /&gt;
&lt;br /&gt;
(23.08.2018)&lt;br /&gt;
&lt;br /&gt;
Bioinspireeritud robootika on tänapäeva inseneritehnoloogia ja teaduse peamisi arengusuundi. Traditsioonilised aktuaatorid ei ole pehmetes ja painduvates seadmetes rakendatavad, seega on juba aastakümneid uuritud elektroaktiivseid polümeerseid täitureid (''electroactive polymer'' - EAP). EAP-de silmapaistvaks omaduseks on nende multifunktsionaalsus: materjali saab rakendada nii aktuaatori (omadused muutuvad elektrivälja toimel) kui ka sensorina (muutus keskkonna tingimustes põhjustab detekteeritavat elektrivoolu). Elektroaktiivsete polümeeride ühe rakendusena on välja pakutud mitmesugused meditsiiniseadmed (implanteeritavad sensorid, drug delivery seadmed, ...). Nõudmised materjalile on kõrged: ideaalne aktuaator omab laia liigutusulatust juba madalal pingel, on kiire, kerge, vastupidav ning lihtsalt ja odavalt toodetav. Lisaks peab materjal olema bioühilduv. &lt;br /&gt;
&lt;br /&gt;
Antud projekti eesmärk on välja töötada bioühilduv ioonne elektromehaaniline polümeerne täitur (''ionic electroactive polymer'' - IEAP). Uuritav materjal koosneb juhtivpolümeersete või süsinikelektroodide vahele paigutatud biopolümeersest membraanist, elektrolüüdina kasutatakse madala toksilisusega looduslikku päritolu ioonseid vedelikke. Bakalaureuse ja magistritöö teemasid on välja pakkuda projekti erinevates etappides: &lt;br /&gt;
* Ioonsete vedelike süntees ja karakteriseerimine&lt;br /&gt;
* Ioonsete vedelike segude uurimine nii eksperimentaalselt kui arvutuskeemia meetodeid kasutades&lt;br /&gt;
* Süsinikelektroodidega IEAP valmistamine pihustusmeetodil kasutades lähteainetena mitmesuguseid biopolümeere ja madala toksilisusega ioonseid vedelikke&lt;br /&gt;
* Erinevate ioonsete vedelike testimine juhtivpolümeersete (polüpürrool) elektroodidega IEAPs: optimaalse polüpürrooli struktuuri ja sünteesiparameetrite otsimine erinevate ioonsete vedelike jaoks&lt;br /&gt;
* Biopolümeersete membraanide valmistamine elektrospinnimise teel ja saadud materjalide testimine juhtivpolümeersete IEAP-de valmistamiseks&lt;br /&gt;
* ''deep eutectic solvents'' kui alternatiiv ioonsetele vedelikele: kas on rakendatav IEAP-des?&lt;br /&gt;
&lt;br /&gt;
== Süsinikelektroodidega polümeersed täiturid==&lt;br /&gt;
&lt;br /&gt;
Kunstlihaseid ehk elektroaktiivseid polümeerseid täitureid on väga palju erinevaid. Nanopoorsest süsinikust elektroodidega ioonsed täiturid töötavad madalpingel ning neil on mitmed eelised kasutamiseks mikroseadmetes ja meditsiinis. Hetkel on uurimisel kaks suunda. Esimese eesmärk on arendada kunstlihasetes kasutatavaid ioonvedelik-süsinik-polümeer komposiite, kasutades selleks erinevaid süsinikmaterjale (süsinikaerogeeli, karbiidset süsinikku, süsiniknanotorusid jpt), ioonseid vedelikke, polümeere. Teine suund keskendub uute kunstlihase valmistamise tehnoloogiate rakendamisele. Uurime materjalide omadusi ja toimimismehhanisme, et kasutada neid aktuaatorite ning sensoritena. Bakalaureuse- ja magistritööks on teemasid mõlemast suunast:&lt;br /&gt;
* uut tüüpi nanomaterjali kasutamine täituri elektroodina&lt;br /&gt;
* süsinik-kserogeeli valmistamine ja struktuur-omadus seoste uurimine&lt;br /&gt;
* täituri valmistamine vurrkatmise meetodil (spin-coating)&lt;br /&gt;
&lt;br /&gt;
==Kunstlihased kosmoserakendustes==&lt;br /&gt;
&lt;br /&gt;
Meie poolt valmistatavad materjalid on kerged ning juhitavad madalate elektripingetega. Seetõttu pakuvad nad huvi kosmosetehnoloogia seadmete valmistajatele.&lt;br /&gt;
Töö eesmärgiks on uurida kiirguse, temperatuuri jpt kosmoses materjalidele mõjuvate kahjustavate toimete mõju.&lt;br /&gt;
&lt;br /&gt;
==Juhtivpolümeeridel põhinevate mitmekihiliste kunstlihaste valmistamine ja iseloomustamine==&lt;br /&gt;
&lt;br /&gt;
Kunstlihased, sensorid ja energiahõiveseadmed on elektritjuhtivate orgaaniliste polümeeride uudsemateks ja põnevamateks arengusuundadeks.  Neid loodetakse kasutada meditsiinis, robootikas,  kosmose- ja militaartööstuses.  Enne laiaulatuslikku kasutuselevõttu on siiski vaja veel teha hulk arendustööd.  Mitmekihilise disain loob eeldused juhtivpolümeerse materjali paremaks kontrollimiseks ning tema omaduste parandamiseks.  TÜ IMS laboris on välja töötatud uudsed sünteesimeetodid metallivabade kunstlihaste valmistamiseks.  Senistel lihtsa ühekihilise struktuuriga materjalidel on mitmeid puudusi (juhtuvuse langus, tundlikus väliskeskkonna mõjudele). Aktuatsiooni tekitavale polümeerikihile vastupidise ioonliikuvusega kihtide lisamine loob eelduse neid puudusi vältida.&lt;br /&gt;
&lt;br /&gt;
==Süsinikelektroodidega täiturmaterjali tööstusliku tootmise ettevalmistamine==&lt;br /&gt;
&lt;br /&gt;
Projekti sisuks on välja töötada materjal ja metoodika kuidas valmistada süsinikelektroodidega täitureid tööstuslikke protsesse kasutades. Töö laiem eesmärk on selliste materjalide masstootmine.&lt;br /&gt;
&lt;br /&gt;
==Biokütuseelement==&lt;br /&gt;
&lt;br /&gt;
Biokütuseelement on bioreaktor, mis muundab orgaaniliste ühendite keemiliste sidemete energia elektrienergiaks. Näiteks glükoosil ja hapnikul töötavad biokütuseelemendid, mis on võimelised energiat korjama erinevates bioloogilistest vedelikest, on paljulubavad seadmed rakendamiseks energiaallikatena mitmesugustes bioelektrilistes implantaatides nagu insuliinipumbad, ravimidosaatorid, närvistimulaatorid, südamestimulaatorid. Antud projekt tegeleb uudse elektroodimaterjali väljatöötamisega biokütuseelemendi jaoks.&lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
==Pehmed kantavad sensorid==&lt;br /&gt;
&lt;br /&gt;
Kõikvõimaliku kantava elektroonika populaarsuse kasv on suurendanud huvi pehmete sensorite vastu, mis mõõdaksid objektide (näiteks inimese keha) kuju ja asendit ilma liikumist takistamata. Senise uurimistöö käigus on välja töötatud sensortald, mis võimaldab sportlasel jälgida jala aluse rõhu jaotust aga ka igal sammul rakendatavat võimsust. Mitmekihiliste elastsete sensorite võrgustik suudab jälgida kehakuju muutust või liikumist, mõõtes korraga nii pikenemist kui painet. Uurimistöö jätkub erinevate uudsete jala- ja keha sensorite väljatöötamiseks.&lt;br /&gt;
&lt;br /&gt;
= '''Arvutieksperimendid ja materjalide simuleerimine''' =&lt;br /&gt;
&lt;br /&gt;
==Kunstlihaste materjalide uurimine erinevate arvutisimulatsioonimeetodite abil==&lt;br /&gt;
&lt;br /&gt;
* Tegemist on materjaliga, mida välise elektriväljaga on võimalik panna kuju muutma: painduma, punduma, kokku tõmbuma - nagu teeb reaalne lihas&lt;br /&gt;
* kunstlihase materjal võib ka reageerida välisele mehaanilisele kujumuutusele elektrilise signaaliga&lt;br /&gt;
* kunstlihas tegutseb hääletult, olles ise mõõtmetelt väga väike&lt;br /&gt;
* kunstlihase materjalidena uuritakse selliseid &amp;quot;hitte&amp;quot; nagu grafeen ja ioonvedelik&lt;br /&gt;
* arvutisimulatsioonid viivad sind materjali &amp;quot;sisse&amp;quot;, võimaldades näha seda, mis katses jääb varju, anda infot toimuvate protsesside kohta ja näpunäiteid materjalide parendamiseks&lt;br /&gt;
* tahad teda, kuidas liigutab 2 cm pikkune riba kunstlihast? võta lõplike lementide meetod ja sa näed ära pinged ja deformatsioonid kujumuutmisel&lt;br /&gt;
* tahad teada, kuidas elektroodide kuju muutmine mõjutab liitiumioonaku mahtuvust - seda, kui kaua sinu elektriauto mööda Tartu-Tallinna maanteed suudaks kihutada? võta lõplike elementide meetod ja sa saad välja arvutada aku tühjenemise kiiruse sinu elektriauto toitmisel&lt;br /&gt;
* tahad teada, kuidas liiguvad ja mõjutavad üksteist aatomid ja molekulid kunstlihases ja liitiumioonaku elektroodides ning elektrolüüdis? võta molekulaardünaamiline simulatsioon ja sa saad siseneda maailma, mis on 10000 korda väiksem sinu juuksekarva läbimõõdust&lt;br /&gt;
* tahad virtuaalselt istuda iga aatomi peal ja näha, kuidas ühe aatomi elektronpilv lööb teise oma segamini? võta kvantkeemiline molekulaardünaamika ja sinu sõit lainefunktsioonide harjadel on pöörasem kui Ristna neemel Katja ajal.&lt;br /&gt;
&lt;br /&gt;
= '''Aktuaatorid, seadmed ja nende juhtimine''' =&lt;br /&gt;
&lt;br /&gt;
==IPMC täitureid kasutava autonoomse seadme konstrueerimine==&lt;br /&gt;
&lt;br /&gt;
Eesmärgiks on nn kunstlihaseid kasutavate materjalide abil liikuvate autonoomsete seadmete konstrueerimine ning töö kirjeldamine. Valik ideid: &amp;quot;putukas&amp;quot;, ratas, minipurilennuk, mikrohumanoid jne.&lt;br /&gt;
&lt;br /&gt;
==Süsinik-polümeermaterjalidest täiturite juhtimine==&lt;br /&gt;
&lt;br /&gt;
Töö eesmärgiks on parametriseerida ning uurida materjaliteadlaste poolt laboris loodud uudsete materjalide elektromehaanilisi omadusi. St. vajalike elektromehaaniliste ja füüsikaliskeemiliste mudelite loomine, nende mudelite kirjeldamine ning eksperimentaalsete tulemuste vastu kinnitamine. Töö sobib (erinevates mahtudes) bakalaureus, magistri ja doktoritöödeks. Vajalik on võõrkeele oskus ning soov ja võimalus töötada aegajalt erinevates laborites välismaa ülikoolides.&lt;br /&gt;
&lt;br /&gt;
= '''Robotics''' =&lt;br /&gt;
&amp;lt;big&amp;gt;Click [[student projects in robotics|here]] for [[student projects in robotics]]&amp;lt;/big&amp;gt;&lt;br /&gt;
&lt;br /&gt;
= '''Soft Robotics''' =&lt;br /&gt;
[[soft robotics student projects|Currently active and relevant topics for soft robotics]]&lt;br /&gt;
&lt;br /&gt;
= '''Partneritega seotud teemad''' =&lt;br /&gt;
&lt;br /&gt;
==Kõrgkoolide õppekavade masinõppel põhinev analüüs==&lt;br /&gt;
&lt;br /&gt;
Projekti eesmärgiks on arendada masinõppel põhinev tarkvara, mis suudaks automaatselt analüüsida ja kaardistada Tartu Ülikooli õppekavade ning nendes loetavate ainete sisu viisil, et oleks jooksvalt võimalik hinnata õppekvaliteeti ja selle vastavust tööturu reaalsetele vajadustele. '''Eriti sobilik tudengitele,''' kellel on lisaks erialasele huvile soov kokkupuutuda '''startup''' ja tehnoloogia ettevõttlusega. &lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
'''Bakalaureuse- või magistritöö käigus loodav praktiline tarkvaralahendus:'''&lt;br /&gt;
* analüüsib õppekavade terviklikkust, erinevate moodulite ja õppeainete vaheliste seoste sidusust, vastavust õppekava ja mooduli üldeesmärkidele,&lt;br /&gt;
* analüüsib jooksvalt õppekavade vastavust tööturu vajadustele lähtuvalt töötajatele reaalselt esitatavatest kvalifikatsiooni nõuetest,&lt;br /&gt;
* annab õppejõududele ja programmijuhtidele infot võimalikest kattuvustest, puuduvatest eelteadmistest õppeainetele ja arenguvajadustest,&lt;br /&gt;
* võimaldab arendada ühismooduleid ja õppeaineid erinevate õppekavade vahel eeldusteadmiste lünkadeta ja kattuvusteta,&lt;br /&gt;
* võimaldab hinnata ja võrrelda juba olemasolevate ja veel loodavate õppekavade konkurentsivõimet teiste koolide sarnaste õppekavadega.&lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
'''Antud lõputöö kontekstis olulised märksõnad on:'''&lt;br /&gt;
* suurandmed ja andmekaeve (big data &amp;amp; data mining)&lt;br /&gt;
* masinõppe algoritmid (machine learning)&lt;br /&gt;
* andmete visualiseerimine (data visualization)&lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
Lõputööd juhendab Aleksander Tõnnisson, kes on teinud üle 40-ne investeeringu iduettevõtetesse.&lt;br /&gt;
&lt;br /&gt;
= '''Õppetööga seotud''' =&lt;br /&gt;
== Juhendmaterjali koostamine koolirobootika tarbeks==&lt;br /&gt;
Töö eesmärgiks on koostada õpetajatele juhendmaterjale ja põnevaid tööülesandeid robootikast, aga samuti ülesandeid, mis aitavad lastel õppida füüsikat, matemaatikat, keemiat ja bioloogiat.&lt;br /&gt;
--&amp;gt;&lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
&amp;lt;!--&lt;br /&gt;
[[vanad teemad]]&lt;br /&gt;
--&amp;gt;&lt;/div&gt;</summary>
		<author><name>Vahur</name></author>
	</entry>
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