Alloy models with the embedded-atom method.

Abstract

A simple analytic nearest-neighbor embedded-atom-method model developed formonatomic fcc metals has been extended to study alloying. The two-bodypotential between different species of atoms is taken as a function of thetwo-body potentials for the pure metals with a unique form which yields alloymodels with the same invariance to electron density transformations asmonatomic models. With several approximations, all model parameters are givenby experimentally measured physical quantities. The dilute-limit heats ofsolution for all binary alloys of Cu, Ag, Au, Ni, Pd, and Pt have beencalculated, with generally good agreement with available experimental valuesexcept for Pd, for which the calculated values are uniformly too high. Thequalitative relationships between the physical parameters of the solute andsolvent and the heat of solution have been determined.