Computational Materials

From Intelligent Materials and Systems Lab

Our vision, goal and what we do

Simulations heat and mechanicals stress of FCC metal in multiscale framework.
Simulations heat and mechanicals stress of FCC metal in multiscale framework.

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!


Molecular Dynamics simulations

Good text for MD, some animations, pictures

Research Projects

Active projects

Finished projects

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)

Tools we use

  • Comsol Multiphysics
  • LAMMPS
  • Deal.II
  • OpenFOAM


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
  2. 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.
  3. 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.
  4. 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
  • ....

Bachelor's theses