Molecular Dynamics studies of Dislocations in SI

Abstract
The mobility of dislocations in a model Silicon lattice is examined at an atomistic level using molecular dynamics. Straight and double-kinked 30° and 90° partial dislocation glide-set dipoles are modelled in a strain-free environment: reconstruction and antiphase defects are found to be present for 30° partial dislocations. The effects of applied shear strains and of temperatures up to the melting point are considered.