dc.citation.endPage |
2 |
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dc.citation.number |
17 |
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dc.citation.startPage |
1 |
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dc.citation.title |
JOURNAL OF CHEMICAL PHYSICS |
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dc.citation.volume |
122 |
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dc.contributor.author |
Kwak, Sang Kyu |
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dc.contributor.author |
Kofke, DA |
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dc.date.accessioned |
2023-12-22T10:36:49Z |
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dc.date.available |
2023-12-22T10:36:49Z |
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dc.date.created |
2014-10-02 |
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dc.date.issued |
2005-05 |
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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. |
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dc.identifier.bibliographicCitation |
JOURNAL OF CHEMICAL PHYSICS, v.122, no.17, pp.1 - 2 |
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dc.identifier.doi |
10.1063/1.1888445 |
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dc.identifier.issn |
0021-9606 |
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dc.identifier.scopusid |
2-s2.0-39049174243 |
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dc.identifier.uri |
https://scholarworks.unist.ac.kr/handle/201301/6824 |
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dc.identifier.wosid |
000229064600059 |
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dc.language |
영어 |
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dc.publisher |
AMER INST PHYSICS |
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dc.title |
Effect of monovacancies on the relative stability of fcc and hcp hard-sphere crystals |
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dc.type |
Article |
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dc.description.journalRegisteredClass |
scopus |
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