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Effect of polydispersity on the relative stability of hard-sphere crystals
- Source :
- JOURNAL OF CHEMICAL PHYSICS 128, 134510 (2008)
- Publication Year :
- 2008
-
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.<br />Comment: 17 pages, 5 figures
- Subjects :
- Condensed Matter - Soft Condensed Matter
Condensed Matter - Statistical Mechanics
Subjects
Details
- Database :
- arXiv
- Journal :
- JOURNAL OF CHEMICAL PHYSICS 128, 134510 (2008)
- Publication Type :
- Report
- Accession number :
- edsarx.0807.0674
- Document Type :
- Working Paper
- Full Text :
- https://doi.org/10.1063/1.2884195