The equilibrium states of A 1−x B 1+x binary alloys in the hard-sphere and pair-binding model

Abstract

The equilibrium ordering states of A 1−x B 1+x alloys are investigated analytically and by computer simulation with the hard-sphere and pair-binding model. The alloy energies are calculated for the case where an excess of the B component forms a solid solution or precipitates as pure phase particles. Criteria for pair-binding energies are obtained that define the type of the resulting alloy. The analytical results are presented for an alloy of arbitrary dimensionality and for any number of coordination spheres involved in interatomic interactions. Illustrating examples are given for B2 and L10 superstructures and for a two-dimensional square lattice in view of the atomic interaction in the first two coordination spheres.