Phase stability of fcc alloys with the embedded-atom method.

Abstract

The heats of solution of disordered phases and several stoichiometric compounds have been determined for 12 binary alloys of fcc metals using an analytic embedded-atom-method model with no adjustable parameters. The cohesive energy, vacancy formation energy, lattice constant, bulk modulus, and average shear modulus for each metal are used as input data, and the range of the two-body potential and electron density function must be specified. The results are generally insensitive to the cutoff range. The heats of formation are in good agreement with ab initio calculations by Terakura et al. for Cu-Ag and Cu-Au but are somewhat higher for Ag-Au. The heats of formation for alloys of Cu, Ag, and Au with Ni are in good agreement, with Pt are slightly high, and with Pd significantly high.