Simulation of relaxation processes in complex condensed matter systems :Algorithmic and physical aspets

by Oppelstrup, Tomas, PhD

This thesis summarizes interrelated simulation studies of threedifferent physical phenomena. The three topics are: simulation of workhardening of materials using dislocation dynamics, investigation ofanomalous diffusion in supercooled liquids using molecular dynamics,and kinetic Monte-Carlo simulation of annealing of radiation damagedmaterials. All three topics require special algorithms in order toenable physically relevant simulations. The author's contributionconsists of development, implementation, and optimization of thesealgorithms, as well as interpretation of simulation results.