Molecular-dynamics simulation of the structural stability, energetics, and melting of Cu-n(n=13-135) clusters

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dc.contributor.authorOzdogan, C
dc.contributor.authorErkoc, S
dc.date.accessioned2020-06-25T17:34:35Z
dc.date.available2020-06-25T17:34:35Z
dc.date.issued1997
dc.departmentKırıkkale Üniversitesi
dc.descriptionOzdogan, Cem/0000-0002-9644-0013
dc.description.abstractCluster properties of copper have been investigated using the Molecular-Dynamics MD technique. The structural stability and energetics of spherical Cu, (n = 13 - 135) clusters have been investigated at temperatures T = 1 K and T = 300 K. It has been found that the average interaction energy per atom in the cluster decreases and reaches an asymptotic value as cluster size increases. The melting behaviour of clusters n = 13 and n = 55 have been investigated. It has been found that the melting temperature decreases as cluster size increases, and for clusters with multishell structures melting starts from the outermost shell. In the simulation an emprical potential energy function (PEF) proposed by Erkoc has been used, which contains two-body atomic interactions.en_US
dc.identifier.citationclosedAccessen_US
dc.identifier.doi10.1007/s004600050312
dc.identifier.endpage209en_US
dc.identifier.issn0178-7683
dc.identifier.issue3en_US
dc.identifier.scopus2-s2.0-0347555917
dc.identifier.scopusqualityN/A
dc.identifier.startpage205en_US
dc.identifier.urihttps://doi.org/10.1007/s004600050312
dc.identifier.urihttps://hdl.handle.net/20.500.12587/2782
dc.identifier.volume41en_US
dc.identifier.wosWOS:A1997XT54300008
dc.identifier.wosqualityQ3
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherSpringeren_US
dc.relation.ispartofZeitschrift Fur Physik D-Atoms Molecules And Clusters
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.titleMolecular-dynamics simulation of the structural stability, energetics, and melting of Cu-n(n=13-135) clustersen_US
dc.typeArticle

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