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Article: Multi-dimensional entropy sampling Monte Carlo method and free energy landscape of Ar 13

TitleMulti-dimensional entropy sampling Monte Carlo method and free energy landscape of Ar 13
Authors
Issue Date1997
PublisherElsevier BV. The Journal's web site is located at http://www.elsevier.com/locate/cplett
Citation
Chemical Physics Letters, 1997, v. 281 n. 4-6, p. 343-351 How to Cite?
AbstractA multi-dimensional entropy sampling Monte Carlo method is proposed and implemented to evaluate directly the entropy of a 13-atom argon cluster (Ar13). The Helmholtz free energy of the cluster is obtained and expressed as a function of the cluster's energy E and radius of gyration Rgy at several temperatures. A transition zone where the accessible range of Rgy varies rapidly is found to be the coexistence region of the solid-like and liquid-like structures.
Persistent Identifierhttp://hdl.handle.net/10722/167578
ISSN
2015 Impact Factor: 1.86
2015 SCImago Journal Rankings: 0.757
ISI Accession Number ID
References

 

DC FieldValueLanguage
dc.contributor.authorChen, Gen_US
dc.contributor.authorWu, GWen_US
dc.date.accessioned2012-10-08T03:08:41Z-
dc.date.available2012-10-08T03:08:41Z-
dc.date.issued1997en_US
dc.identifier.citationChemical Physics Letters, 1997, v. 281 n. 4-6, p. 343-351en_US
dc.identifier.issn0009-2614en_US
dc.identifier.urihttp://hdl.handle.net/10722/167578-
dc.description.abstractA multi-dimensional entropy sampling Monte Carlo method is proposed and implemented to evaluate directly the entropy of a 13-atom argon cluster (Ar13). The Helmholtz free energy of the cluster is obtained and expressed as a function of the cluster's energy E and radius of gyration Rgy at several temperatures. A transition zone where the accessible range of Rgy varies rapidly is found to be the coexistence region of the solid-like and liquid-like structures.en_US
dc.languageengen_US
dc.publisherElsevier BV. The Journal's web site is located at http://www.elsevier.com/locate/cpletten_US
dc.relation.ispartofChemical Physics Lettersen_US
dc.titleMulti-dimensional entropy sampling Monte Carlo method and free energy landscape of Ar 13en_US
dc.typeArticleen_US
dc.identifier.emailChen, G:ghc@yangtze.hku.hken_US
dc.identifier.authorityChen, G=rp00671en_US
dc.description.naturelink_to_subscribed_fulltexten_US
dc.identifier.doi10.1016/S0009-2614(97)01222-0-
dc.identifier.scopuseid_2-s2.0-0031587554en_US
dc.identifier.hkuros31360-
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-0031587554&selection=ref&src=s&origin=recordpageen_US
dc.identifier.volume281en_US
dc.identifier.issue4-6en_US
dc.identifier.spage343en_US
dc.identifier.epage351en_US
dc.identifier.isiWOS:000072254400017-
dc.publisher.placeNetherlandsen_US
dc.identifier.scopusauthoridChen, G=35253368600en_US
dc.identifier.scopusauthoridWu, GW=7404975088en_US

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