Stability of the AB crystal for asymmetric binary hard sphere mixtures

Abstract:

The thermodynamic stability of the AB (rocksalt) structure for binary mixtures of hard spheres is established by means of Monte Carlo and molecular dynamics simulations. Constant pressure and constant volume phase diagrams are presented for size ratios √2−1 and 0·45. A phase-separation molecular dynamics experiment is described, confirming the predictions of the phase diagram.

Authors:

E Trizac, MD Eldridge, PA Madden

Journal:

Molecular Physics

Citation info:

90(4):675-678

Publication date:

1st Mar 1997

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