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

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

2008-07-04

arxiv.org/abs/0807.0674v1

JOURNAL OF CHEMICAL PHYSICS 128, 134510 (2008)

Physics

Condensed Matter

Soft Condensed Matter

17 pages, 5 figures

Scientific paper

10.1063/1.2884195

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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