Simulation of Mode II Crack Using an Analytical Solution – Controlled MD

Abstract

A new simulation method has been proposed in which an MD model is considered as an assemblage of atomic clusters and displacements of clusters are controlled so as to follow the analytical expression of the Mode II type displacement field around a crack tip. The results of the simulation show that there is a need to use acceleration–control for cluster motion because constant–speed–control of clusters causes false phenomena when a true state involves suddenly evolving phenomena.