Simulations of Crystal Defects

Diffusion of point defects in polycrystals

We offer atomistic (molecular dynamics) and mesoscopic simulations of the diffusion of point defects in mono- and polycrystals, taking into account in the latter case the absorption and re-emission of these defects by grain boundaries.

Calculation of stresses induced by dislocation networks

For the given distribution density of dislocations with known Burgers vectors we are able to compute the elastic strain caused by these dislocations.

Dislocation motion under the influence of thermal and external stresses in mono- and polycrystals

We simulate the dislocation dynamics (considering dislocation on the mesoscopic level, i.e., as continuous line defects in crystals) in mono- and polycrystals, resulting from the externally applied stresses ad stresses coming from the non-homogeneous temperature distribution within a crystal.