The Dynamic Behaviour of a Crystal During Defect Jumps

Abstract

In continuation of a previous paper, M D simulations of vacancy jump in an fcc-lattice have been performed, due to an increased averaging process, quantitative results for a number of correlation functions are obtained, which throw light on the details of the highly cooperative mechanism of vacancy jumps involving some fifty neighbouring particles. This Part II is mainly concerned with self correlation functions while part III focusses on distinct correlation functions. Both the mean square displacements and the velocity correlations of the particles have been considered and were analysed in comparison with those of a pure crystal and a pure fluid of high density.