Deformation behavior simulation on atomic models of metallic interface including amorphous structure

Abstract

In this study, the effect of metal interface with amorphous structure on mechanical properties is studied by molecular dynamics method. When modeling a metal interface, it is common to create the interface by adjoining separately created atomic models. In this study, atomic structures including an amorphous/amorphous interface and an amorphous/crystalline interface were created by quenching a model with Al and Cu from different temperature ranges. Then, tensile deformation simulations by molecular dynamics were performed for these models. As a result, the model with an amorphous/amorphous interface showed a uniform distribution of atomic strain regardless of the type of atoms or the interface. In the model with an amorphous/crystalline interface, dislocations in the Cu crystal were accompanied by a rapid relaxation of stress. In addition, the stress-strain diagram and the distribution of atomic strain were different depending on the crystal orientation of Cu.