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- Kwak, Sang Kyu
- Kyu’s MolSim Lab @ UNIST
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| DC Field | Value | Language |
|---|---|---|
| dc.citation.endPage | 22 | - |
| dc.citation.number | 1 | - |
| dc.citation.startPage | 16 | - |
| dc.citation.title | MOLECULAR SIMULATION | - |
| dc.citation.volume | 38 | - |
| dc.contributor.author | Kwak, Sang Kyu | - |
| dc.contributor.author | Park, Taezoon | - |
| dc.contributor.author | Yoon, Yong-Jin | - |
| dc.contributor.author | Lee, Jong-Min | - |
| dc.date.accessioned | 2023-12-22T05:37:04Z | - |
| dc.date.available | 2023-12-22T05:37:04Z | - |
| dc.date.created | 2014-10-02 | - |
| dc.date.issued | 2012-01 | - |
| dc.description.abstract | The free energies of the face-centred (FCC) and base-centred cubic (BCC) hard-sphere (HS) crystals have been estimated via the free-volume approach. We present two free-volume equations for the FCC and BCC HS crystals, which are different from those predicted by Velasco et al. [Langmuir 14(19) (1998), 5652-5655], and the equations exhibit more accuracy than Velasco et al.' s equations. The limitation of using the free-volume approach was assessed by comparing with true free energies obtained by other well-known methods, and possible improvement and application are discussed. | - |
| dc.identifier.bibliographicCitation | MOLECULAR SIMULATION, v.38, no.1, pp.16 - 22 | - |
| dc.identifier.doi | 10.1080/08927022.2011.597397 | - |
| dc.identifier.issn | 0892-7022 | - |
| dc.identifier.scopusid | 2-s2.0-84863161505 | - |
| dc.identifier.uri | https://scholarworks.unist.ac.kr/handle/201301/6805 | - |
| dc.identifier.url | http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=84863161505 | - |
| dc.identifier.wosid | 000298361100003 | - |
| dc.language | 영어 | - |
| dc.publisher | TAYLOR & FRANCIS LTD | - |
| dc.title | Estimation of the free energy of hard-sphere crystals via a free-volume approach | - |
| dc.type | Article | - |
| dc.description.journalRegisteredClass | scie | - |
| dc.description.journalRegisteredClass | scopus | - |
| dc.subject.keywordAuthor | free volume | - |
| dc.subject.keywordAuthor | hard sphere | - |
| dc.subject.keywordAuthor | free energy | - |
| dc.subject.keywordAuthor | molecular dynamics | - |
| dc.subject.keywordPlus | DENSITY-FUNCTIONAL THEORY | - |
| dc.subject.keywordPlus | MOLECULAR-DYNAMICS | - |
| dc.subject.keywordPlus | SOLIDS | - |
| dc.subject.keywordPlus | TRANSITION | - |
| dc.subject.keywordPlus | ENTROPY | - |
| dc.subject.keywordPlus | LIQUIDS | - |
| dc.subject.keywordPlus | FLUID | - |
| dc.subject.keywordPlus | FCC | - |
| dc.subject.keywordPlus | SIMULATION | - |
| dc.subject.keywordPlus | NUCLEATION | - |
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