Substitutionally ordered solid solutions of hard spheres

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Abstract
A recently developed cell theory for multicomponent solid solutions is applied to the study of substitutionally ordered binary hard sphere solid solutions. Solid phase thermodynamic properties and solid–fluid phase diagrams have been determined for a range of particle size ratios. The theoretical predictions agree well with available Monte Carlo simulation results. From the phase diagrams we draw some conclusions about the domains of stability of some simple compounds such as AB, AB2, and AB13 in terms of the size ratio, density, and overall composition of the mixture.