The EAM based effective pair potentials for the dynamic properties of liquid Cu

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dc.contributor.authorDalgic, S.
dc.date.accessioned2024-06-12T11:08:24Z
dc.date.available2024-06-12T11:08:24Z
dc.date.issued2007
dc.departmentTrakya Üniversitesien_US
dc.description.abstractThe effective pair potentials based on the different versions of embedded atom method (EAM) have been applied to investigate the dynamic properties of liquid copper. The presented potentials are used for the first time for this purpose. The computations were carried out using the variational hypernetted chain (VMHNC) liquid state theory in order to obtain static structure factors and pair distribution functions as a function of temperature above its melting. The dynamical properties evaluated within the framework of the mode-coupling theory, using a self-consistent scheme have been also presented. The single-particle and collective time-dependent properties of liquid copper have computed and used to calculate one of the transport coefficient, namely the self-diffusion constant D. The values for the diffusion coefficients calculated by different versions of EAM based potentials are consistent with each other. The density-dependent effective pair potentials based on EAM have been considered and determined its effects on the collective dynamic properties such as the intermediate scattering functions and the dynamic structure factors. (C) 2007 Elsevier B.V. All rights reserved.en_US
dc.identifier.doi10.1016/j.matchemphys.2007.02.013
dc.identifier.endpage189en_US
dc.identifier.issn0254-0584
dc.identifier.issn1879-3312
dc.identifier.issue1en_US
dc.identifier.scopus2-s2.0-34247401802en_US
dc.identifier.scopusqualityQ1en_US
dc.identifier.startpage183en_US
dc.identifier.urihttps://doi.org/10.1016/j.matchemphys.2007.02.013
dc.identifier.urihttps://hdl.handle.net/20.500.14551/22418
dc.identifier.volume103en_US
dc.identifier.wosWOS:000246729400032en_US
dc.identifier.wosqualityQ1en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherElsevier Science Saen_US
dc.relation.ispartofMaterials Chemistry And Physicsen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectMetalsen_US
dc.subjectTransport Propertiesen_US
dc.subjectDiffusionen_US
dc.subjectEmbedded-Atom-Methoden_US
dc.subjectMolecular-Dynamicsen_US
dc.subjectTransition-Metalsen_US
dc.subjectThermodynamic Propertiesen_US
dc.subjectNoble-Metalsen_US
dc.subjectDiffusion-Coefficientsen_US
dc.subjectComputer-Simulationen_US
dc.subjectModelen_US
dc.subjectTransporten_US
dc.subjectLithiumen_US
dc.titleThe EAM based effective pair potentials for the dynamic properties of liquid Cuen_US
dc.typeArticleen_US

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