Modified embedded-atom method calculation for the Ni-W system

Abstract

A semi-empirical interatomic potential of the Ni-W system was developed using a modified embedded-atom method (MEAM) formalism including second-nearest-neighbor interactions. The cross potential was determined by fitting physical properties of tetragonal Ni,W available in the literature. The MEAM potential was used to predict phase stabilities, lattice constants, and bulk moduli of nonequilibrium and equilibrium phases in the Ni-W system. The results were in good agreement with experimental information or first-principles calculation.