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- Kwak, Sang Kyu
- Kyu’s MolSim Lab @ UNIST
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| DC Field | Value | Language |
|---|---|---|
| dc.citation.endPage | 2 | - |
| dc.citation.number | 17 | - |
| dc.citation.startPage | 1 | - |
| dc.citation.title | JOURNAL OF CHEMICAL PHYSICS | - |
| dc.citation.volume | 122 | - |
| dc.contributor.author | Kwak, Sang Kyu | - |
| dc.contributor.author | Kofke, DA | - |
| dc.date.accessioned | 2023-12-22T10:36:49Z | - |
| dc.date.available | 2023-12-22T10:36:49Z | - |
| dc.date.created | 2014-10-02 | - |
| dc.date.issued | 2005-05 | - |
| dc.description.abstract | The effect of monovacancies on the free energy difference of close-packed hard-sphere crystals was examined. The monovacancy free energy and concentration were obtained via Monte Carlo simulations with a biased insertion method interpreted in a grand-canonical formalism. The difference in the effect of the vacancies to the difference between the free energies of the defect-free crystalline phases was compared. It was observed that the relative stability of stress-free fcc and hcp crystals is not affected by the presence of monovacancies, and fcc remaines the more stable phase over all solid-phase densities. | - |
| dc.identifier.bibliographicCitation | JOURNAL OF CHEMICAL PHYSICS, v.122, no.17, pp.1 - 2 | - |
| dc.identifier.doi | 10.1063/1.1888445 | - |
| dc.identifier.issn | 0021-9606 | - |
| dc.identifier.scopusid | 2-s2.0-39049174243 | - |
| dc.identifier.uri | https://scholarworks.unist.ac.kr/handle/201301/6824 | - |
| dc.identifier.wosid | 000229064600059 | - |
| dc.language | 영어 | - |
| dc.publisher | AMER INST PHYSICS | - |
| dc.title | Effect of monovacancies on the relative stability of fcc and hcp hard-sphere crystals | - |
| dc.type | Article | - |
| dc.description.journalRegisteredClass | scopus | - |
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