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

Abstract

A semi-empirical interatomic potential, the MEAM, has been applied to obtain an interatomic potential for the Cu-Ni system, based on the previously developed potentials for pure Cu and Ni. The procedure for the determination of potential parameter values is presented. It is-shown that the potential describes the basic thermodynamic properties and alloy behaviors of the fcc solid solution (enthalpy of mixing, miscibility gap and lattice parameter) in good agreement with CALPHAD calculation and experimental information. It is also shown how the CALPHAD calculation (enthalpy of mixing) can be used for optimization of the interatomic potential parameters. (C) 2004 Elsevier Ltd. All rights reserved.