The suitability of atomistic simulations for the study of dislocation intersections was demonstrated. By using the specific example of a partial dislocation in Si, the mechanisms of intersection were monitored in full atomistic detail. It was also shown that the formation of the intersection defects could be viewed as being a convolution of 2 dislocation densities which were distributed on 2 non-parallel glide planes; in agreement with the quasi-continuum Peierls concept. On the other hand, the energetics of intersection were strongly dependent upon the detailed atomistic structure of the core. Such features, which included core reconstruction, could be treated only within a fully atomistic approach.

Core Effects in Dislocation Intersections. J.F.Justo, V.V.Bulatov, S.Yip: Scripta Materialia, 1997, 36[6], 707-12