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DC Field | Value | Language |
---|---|---|
dc.citation.endPage | 257801-4 | - |
dc.citation.number | 25 | - |
dc.citation.startPage | 257801-1 | - |
dc.citation.title | PHYSICAL REVIEW LETTERS | - |
dc.citation.volume | 99 | - |
dc.contributor.author | Baig, Chunggi | - |
dc.contributor.author | Mavrantzas, V. G. | - |
dc.date.accessioned | 2023-12-22T09:07:45Z | - |
dc.date.available | 2023-12-22T09:07:45Z | - |
dc.date.created | 2014-10-07 | - |
dc.date.issued | 2007-12 | - |
dc.description.abstract | A thermodynamically guided atomistic MonteCarlo methodology is presented for simulating systems beyond equilibrium by expanding the statistical ensemble to include a tensorial variable accounting for the overall structure of the system subjected to flow. For a given shear rate, the corresponding tensorial conjugate field is determined iteratively through independent nonequilibrium molecular dynamics simulations. Test simulations for the effect of flow on the conformation of a C50H102 polyethylene liquid show that the two methods (expanded MonteCarlo and nonequilibrium molecular dynamics) provide identical results. | - |
dc.identifier.bibliographicCitation | PHYSICAL REVIEW LETTERS, v.99, no.25, pp.257801-1 - 257801-4 | - |
dc.identifier.doi | 10.1103/PhysRevLett.99.257801 | - |
dc.identifier.issn | 0031-9007 | - |
dc.identifier.scopusid | 2-s2.0-37249043201 | - |
dc.identifier.uri | https://scholarworks.unist.ac.kr/handle/201301/6959 | - |
dc.identifier.url | http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=37249043201 | - |
dc.identifier.wosid | 000251887100060 | - |
dc.language | 영어 | - |
dc.publisher | AMER PHYSICAL SOC | - |
dc.title | Thermodynamically guided nonequilibrium Monte Carlo method for generating realistic shear flows in polymeric systems | - |
dc.type | Article | - |
dc.description.journalRegisteredClass | scopus | - |
dc.subject.keywordPlus | ATOMISTIC SIMULATION | - |
dc.subject.keywordPlus | ELASTICITY | - |
dc.subject.keywordPlus | MELTS | - |
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