On the behavior of single-particle dynamic properties of liquid Hg and other metals

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dc.authoridsengul, sedat/0000-0003-2690-9354
dc.authoridGonzalez, Luis E/0000-0001-6264-8329
dc.authorwosidGonzalez, David/IPU-3884-2023
dc.authorwosidsengul, sedat/AAY-6830-2021
dc.authorwosidGONZALEZ, DAVID/JDD-2892-2023
dc.authorwosidPNM, GIR/O-7902-2014
dc.authorwosidGonzalez, Luis E/O-8836-2014
dc.contributor.authorGonzalez, Luis E.
dc.contributor.authorGonzalez, David J.
dc.contributor.authorCalderin, Lÿzaro
dc.contributor.authorSengul, Sedat
dc.date.accessioned2024-06-12T15:23:13Z
dc.date.available2024-06-12T15:23:13Z
dc.date.issued2008
dc.departmentTrakya Üniversitesien_US
dc.description.abstractRecent experiments and classical molecular dynamics simulations performed on liquid Hg near melting have suggested the existence of two processes with different time scales in its single-particle dynamics. We report a study of this system by using ab initio molecular dynamics simulations, which recover the same kind of behavior, and we analyze it in terms of a theoretical approach, which clarifies its origin. We show that the previous interpretation has been induced by the unphysical extension of the diffusive model to short times. Moreover, we also find that quite different liquid metals, such as Si and Mg, also exhibit a similar behavior as Hg, with the only difference being in the time scales involved due to the different masses and interactions.en_US
dc.description.sponsorshipDGICYT [MAT2005-03415]; EU FEDER program and Junta de Castilla y LeUn [VA068A06, GR120]en_US
dc.description.sponsorshipC. acknowledges the financial support of the Ministerio de Educacion y Ciencia of Spain. L. E. G. and D. J. G. acknowledge the support of the DGICYT (Grant No. MAT2005-03415) , the EU FEDER program and Junta de Castilla y LeUn (Grant No. VA068A06, GR120) . S. S. acknowledges the EU Erasmus/Socrates program that enabled a research stay in Spain.en_US
dc.identifier.doi10.1063/1.3020717
dc.identifier.issn0021-9606
dc.identifier.issn1089-7690
dc.identifier.issue17en_US
dc.identifier.pmid19045325en_US
dc.identifier.scopus2-s2.0-55849090276en_US
dc.identifier.scopusqualityQ1en_US
dc.identifier.urihttps://doi.org/10.1063/1.3020717
dc.identifier.urihttps://hdl.handle.net/20.500.14551/17921
dc.identifier.volume129en_US
dc.identifier.wosWOS:000260777400003en_US
dc.identifier.wosqualityQ1en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.indekslendigikaynakPubMeden_US
dc.language.isoenen_US
dc.publisherAmer Inst Physicsen_US
dc.relation.ispartofJournal Of Chemical Physicsen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectAb Initio Calculationsen_US
dc.subjectDiffusionen_US
dc.subjectLiquid Metalsen_US
dc.subjectLiquid Structureen_US
dc.subjectLiquid Theoryen_US
dc.subjectMagnesiumen_US
dc.subjectMeltingen_US
dc.subjectMercury (Metal)en_US
dc.subjectMolecular Dynamics Methoden_US
dc.subjectSiliconen_US
dc.subjectMolecular-Dynamicsen_US
dc.subjectMercuryen_US
dc.titleOn the behavior of single-particle dynamic properties of liquid Hg and other metalsen_US
dc.typeArticleen_US

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