Differences in melting behaviours of disordered and symmetric clusters: AuN(N = 54–56)

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dc.contributor.authorYildirim, E. K.
dc.contributor.authorGuvenc, Z. B.
dc.date.accessioned2020-06-25T17:43:28Z
dc.date.available2020-06-25T17:43:28Z
dc.date.issued2006
dc.description.abstractWe have investigated the melting behaviours of disordered and symmetric gold clusters (Au(N), N = 54 - 56) by means of molecular dynamics simulations. We have found that there is no single isolated lowest energy structure for this size of Au clusters. Instead there are many nearly degenerate disordered low lying structures. The melting behaviours of these disordered structures showed that the melting occurs as a gradual process in which initially, behaviours of the surface and the inner atoms are quite different from each other, and they do not mix until the beginning of the melting. On the other hand, the symmetric forms of the Au(N) ( N = 54 - 56) present different melting behaviours from those of the corresponding disordered structures. Their melting occurs suddenly, i.e. over a very short temperature interval. During the heating of these symmetric forms no phase changes occur until the melting temperature at which melting occurs as a collective motion of all the atoms in the cluster. On the other hand, the phase changes in the disordered structures take place as a result of both collective motions of all the atoms in the cluster, and as local displacements of the atoms.en_US
dc.identifier.citationclosedAccessen_US
dc.identifier.doi10.1088/0965-0393/14/6/005
dc.identifier.endpage961en_US
dc.identifier.issn0965-0393
dc.identifier.issue6en_US
dc.identifier.scopus2-s2.0-33746890212
dc.identifier.scopusqualityQ2
dc.identifier.startpage947en_US
dc.identifier.urihttps://doi.org10.1088/0965-0393/14/6/005
dc.identifier.urihttps://hdl.handle.net/20.500.12587/3725
dc.identifier.volume14en_US
dc.identifier.wosWOS:000239703300005
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherIop Publishing Ltden_US
dc.relation.ispartofModelling And Simulation In Materials Science And Engineering
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.titleDifferences in melting behaviours of disordered and symmetric clusters: AuN(N = 54–56)en_US
dc.typeArticle

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