A level set based 3-dimensional dislocation dynamics simulation method was developed in order to describe the motion of dislocations in a hetero-epitaxial thin film. The simulations accurately describe the elastic interactions of the dislocations, stress fields throughout the film and substrate, dislocation annihilation, and dislocation reactions. As an example application, the expansion of dislocation half-loops in a Si1−ηGeη thin film on a Si substrate was considered. The expansion of the loop(s) creates interfacial misfit dislocations connected to propagating threading segments. The simulations showed cross-slip of screw segments from one (111) glide plane to another, topological changes, and thermodynamically favourable dislocation reactions.

Level Set Simulation of Dislocation Dynamics in Thin Films. S.S.Quek, Y.Xiang, Y.W.Zhang, D.J.Srolovitz, C.Lu: Acta Materialia, 2006, 54[9], 2371-81