MOLECULAR DYNAMICS SIMULATION ON THE DEFORMATION BEHAVIOR OF COPPER (CU)/ ZIRCONIUM (ZR) METALLIC GLASS UNDER MULTIAXIAL STRESS STATES

Abstract

CuZr metallic glasses, with a superior mechanical properties and good glass forming ability, has received much attention recently. However, the lack of room temperature ductility has limited its application. Many previous simulations on metallic glasses showed that shear banding accompanied by Voronoi volume generation and softening is the dominant mode controlling the plastic deformation process. In the present work, a contrary phenomenon where Voronoi volume annihilation takes dominance during the plastic deformation in CuZr metallic glasses is reported. Here, by using Molecular Dynamics simulation, the notch geometry effect, strain rate effect and temperature effect on the deformation behavior of CuZr metallic glass is presented, together with the structural evolution during plastic deformation. The structure-property relationship of CuZr metallic glasses is revealed. The present work demonstrates the structural densification mechanism of metallic glasses from atomic-level perspective and enriches our understanding on the mechanical behavior of metallic glasses.