A modified embedded-atom method interatomic potential for the Cu-Zr system

Abstract

A modified embedded-atom method (MEAM) interatomic potential for the Cu-Zr system has been developed based on the previously developed MEAM potentials for pure Cu and Zr. The potential describes fundamental physical properties and alloy behavior of the Cu-Zr binary system reasonably well. The applicability of the potential to atomistic investigations of mechanical and deformation behavior for the Cu-Zr binary and Cu-Zr-based multicomponent amorphous alloys is also demonstrated by showing that fully relaxed and realistic amorphous structures can be generated by molecular dynamics simulations.