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Molecular dynamics simulation of melting behaviour of small gold clusters: Au-N (N=12-14)

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dc.contributor.author Yıldırım, Erdem Kamil
dc.contributor.author Atış, Murat
dc.contributor.author Güvenç, Ziya B.
dc.date.accessioned 2016-04-06T11:33:29Z
dc.date.available 2016-04-06T11:33:29Z
dc.date.issued 2007-01
dc.identifier.citation Yıldırım, E.K., Atış, M., Güvenç, Z.B. (2007). Molecular dynamics simulation of melting behaviour of small gold clusters: Au-N (N=12-14). Physica Scripta, 75(1), 111-118. http://dx.doi.org/10.1088/0031-8949/75/1/018 tr_TR
dc.identifier.issn 0031-8949
dc.identifier.uri http://hdl.handle.net/20.500.12416/848
dc.description.abstract We have investigated the melting behaviour of AuN (N = 12 - 14) clusters by means of molecular dynamics simulation on the basis of the Voter - Chen version of the embedded-atom method. The melting behaviour of the clusters is described in terms of short-time average temperatures and atomic coordination numbers of the clusters. Results have shown that during the melting process, the phase changes occur as a collective and simultaneous motion of all the atoms in a very short-time interval. Furthermore the Au-14 cluster presents a two-stage melting behaviour which is different from those of the Au-12 and Au-13 clusters. The isomer sampling probabilities are obtained from the thermal quenching of the molten clusters, and their energy-spectrum widths are investigated. The results of the isomer forming probabilities showed that the global minimum structures of these clusters are not always the most probable ones to be formed in the experiments tr_TR
dc.language.iso eng tr_TR
dc.publisher IOP Publishing ltd tr_TR
dc.relation.isversionof 10.1088/0031-8949/75/1/018 tr_TR
dc.rights info:eu-repo/semantics/closedAccess
dc.subject Transition-Metal Clusters tr_TR
dc.subject Surface tr_TR
dc.subject Energy tr_TR
dc.subject Nanoclusters tr_TR
dc.subject Size tr_TR
dc.subject Potentials tr_TR
dc.subject Energetics tr_TR
dc.title Molecular dynamics simulation of melting behaviour of small gold clusters: Au-N (N=12-14) tr_TR
dc.type article tr_TR
dc.relation.journal Physica Scripta tr_TR
dc.contributor.authorID 1155 tr_TR
dc.identifier.volume 75 tr_TR
dc.identifier.issue 1 tr_TR
dc.identifier.startpage 111 tr_TR
dc.identifier.endpage 118 tr_TR
dc.contributor.department Çankaya Üniversitesi, Mühendislik Fakültesi, Elektronik ve Haberleşme Mühendisliği tr_TR


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