Embedded-atom models of 12 cubic metals incorporating second- and third-order elastic-moduli data

Abstract

An embeded-atom method (EAM) formulation that can reproduce identically the empirically determined second-order and third-order elastic moduli is employed in constructing the EAM models of 12 cubic metals (Ag, Al, Au, Cu, Fe, K, Li, Mo, Na, Nb, Ni, and Rb). The models yield phase stabilities, pressure-volume curves, and phonon-frequency spectra that are in generally good agreement with experiments.