Atomic Structure and Diffusion Properties of Liquid Cu45Zr48Al7 Metallic Glasses

The microscopic structure and diffusion of liquid Cu45Zr48Al7 alloys were investigated by means of molecular dynamics simulations. We obtain the structure and diffusion properties including partial pair-correlation function, and Voronoi indices and the time-dependent mean-square displacement (MSD). We found that the icosahedra and the distorted icosahedra around Cu, Zr and Al are differentthe and the atom moves quickly Zr, Cu and Al in the order.