TENSILE DEFORMATION OF COPPER SINGLE CRYSTALS BY SIMULATION USING X-RAY LANG METHOD AND MOLECULAR DYNAMICS

Abstract

Simulations were performed to model the response of a copper rectangular parallelepiped single crystal with a notch to tensile deformation. Partial dislocations were created near the tip of the notch as we expected. It is hard to see where the dislocations were created by just looking at the displaced positions of atoms, but the creation of dislocations was easily observed by a simulation of X-ray Lang method. Before creation of dislocations, some indication was quite clearly shown. Laue patterns during tensile deformation were also simulated.