Effect of polydispersity on the relative stability of hard-sphere crystals

Mingcheng Yang; Hongru Ma

doi:10.1063/1.2884195

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arXiv · 0807.0674

Effect of polydispersity on the relative stability of hard-sphere crystals

Mingcheng Yang·Hongru Ma

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Abstract

By extending the nonequilibrium potential refinement algorithm and lattice switch method to the semigrand ensemble, the semigrand potentials of the fcc and hcp structures of polydisperse hard-sphere crystals are calculated with the bias sampling scheme. The result shows that the fcc structure is more stable than the hcp structure for polydisperse hard-sphere crystals below the terminal polydispersity.

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Mingcheng Yang, Hongru Ma. 2008-07-04. Effect of polydispersity on the relative stability of hard-sphere crystals. https://doi.org/10.1063/1.2884195

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