Computational Materials: Difference between revisions
From Intelligent Materials and Systems Lab
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*Multiphysics combinations of these phenomena! | *Multiphysics combinations of these phenomena! | ||
== Tools we use == | |||
* Comsol Multiphysics | |||
* LAMMPS | |||
* Deal.II | |||
* OpenFOAM | |||
=== Molecular Dynamics simulations === | === Molecular Dynamics simulations === | ||
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*Walter Wuench (CERN) | *Walter Wuench (CERN) | ||
*Daniel Brandell (Uppsala University) | *Daniel Brandell (Uppsala University) | ||
==Publications== | ==Publications== | ||
Revision as of 11:24, 10 April 2018
Our vision, goal and what we do
All levels from atomistic to macroscopic Ability to develop and implement new methods, if needed Capacity to conduct multi scaling
Practical applications:
- Mechanics
- CFD (turbulent & laminar)
- Heat transport
- Electric and magnetic fields
- Chemical reactions
- Acoustics
- Multiphysics combinations of these phenomena!
Tools we use
- Comsol Multiphysics
- LAMMPS
- Deal.II
- OpenFOAM
Molecular Dynamics simulations
Good text for MD, some animations, pictures
Research Projects
Ongoing Activities
Glory and Success
- PUT 57 - Multiscale simulations of dislocation generation in rf electric fields in the linear accelerator design (01.01.2013 - 31.12.2016)
- ETF 9216 - Development and optimization of 3D-microbatteries (01.01.2012-31.21.2015)
Student projects
Members
IMS Simulations Tartu group
- Vahur Zadin
- Simon Vigonski
- Heiki Kasemägi
Friends and collaborators
- Flyura Djurabekova (Helsinki University)
- Ville Jansson (Helsinki University)
- Walter Wuench (CERN)
- Daniel Brandell (Uppsala University)
Publications
(All references in Harvard style from Google Scholar)
- 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
- 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.
- 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.
- 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.
Defended theses
Masters Theses
- Kristjan Eimre
- Kristian Kuppart
- Robert Aare
- ....