Core effects in dislocation intersection

Abstract

In summary, we have demonstrated the feasibility of atomistic simulations for the study of dislocation intersections. Through the specific examples of partial dislocations in Si, we have examined the mechanisms of intersection in full atomistic detail. We have also shown that formation of the intersection defects can be viewed as a convolution of two dislocation densities distributed in two non-parallel glide planes, in agreement with the quasi-continuum Peierls concept. On the other hand, energetics of the intersections is strongly dependent on the details of atomistic structure in the core, such as core reconstruction, which can be addressed only within a fully atomistic approach.