Alloy models with the embedded-atom method

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

Перевод пока недоступен