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arxiv: 0807.0674 · v1 · submitted 2008-07-04 · ❄️ cond-mat.soft · cond-mat.stat-mech

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

classification ❄️ cond-mat.soft cond-mat.stat-mech
keywords crystalshard-spherepolydispersepolydispersitysemigrandstructurealgorithmbelow
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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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