Computational Materials

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!

Projects

Active projects

• PUT 1372 - Mechanisms of vacuum arching in high electric field systems

Finished projects

• 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

• Materjalidefektide simuleerimine kõrgetes elektriväljades

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)

Tools we use

• Comsol Multiphysics
• LAMMPS

Publications

(All references in Harvard style from Google Scholar)

1. 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

Defended theses

Masters Theses

• Kristjan Eimre
• Kristian Kuppart
• ....

Bachelor's theses

• Kristjan Eimre - title
• Kristian Kuppart - title
• ....