A semi-empirical interatomic potential for the Cu-Ti binary system

Abstract

A semi-empirical atomic potential according to the second nearest-neighbor modified embedded-atom method, has been applied to obtain an interatomic potential for the Cu-Ti system based on the previously developed potentials for pure Cu and Ti. The potential describes thermodynamic properties and alloy behaviors of the Cu-Ti binary system fairly well. The procedure for the determination of potential parameter values and the performance of the optimized alloy potential are presented. The possibility and limitations of the potential for application to atomistic studies of Cu-based amorphous alloys are also discussed. (c) 2006 Published by Elsevier B.V.