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Thermodynamics of small platinum clusters

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dc.contributor.author Sebetçi, Ali
dc.contributor.author Güvenç, Ziya B.
dc.contributor.author Kökten, Hatice
dc.date.accessioned 2016-04-01T13:18:54Z
dc.date.available 2016-04-01T13:18:54Z
dc.date.issued 2006-03
dc.identifier.citation Sebetci, A., Güvenç, Z.B., Kökten, H. (2006). Thermodynamics of small platinum clusters. Computational Materials Science, 35(3), 192-197. http://dx.doi.org/10.1016/j.commatsci.2004.08.016 tr_TR
dc.identifier.issn 0927-0256
dc.identifier.uri http://hdl.handle.net/20.500.12416/829
dc.description.abstract Using the Voter and Chen version of an embedded atom model, derived by fitting simultaneously to experimental data of both the diatomic molecule and bulk platinum, we have studied the melting behavior of free, small platinum clusters in the size range of N = 15-19 in the molecular dynamics simulation technique. We present an atom-resolved analysis method that includes physical quantities such as the root-mean-square bond-length fluctuation and coordination number for individual atoms as functions of temperature. The results show that as the Pt-15-Pt-18 clusters exhibit multistage melting, melting in Pt-19 cluster takes place in a single but interesting stage. None of these melting stages occurs at a specific temperature, rather, melting processes take place over a finite temperature range. This range is larger for less symmetric clusters. An ensemble of clusters in the melting region is a mixture of different isomeric forms of the clusters. The multistage melting and the occurrence of a single melting stage over a temperature range are two different phenomena. tr_TR
dc.language.iso eng tr_TR
dc.publisher Elsevier Science tr_TR
dc.relation.isversionof 10.1016/j.commatsci.2004.08.016 tr_TR
dc.rights info:eu-repo/semantics/closedAccess
dc.subject Pt Clusters tr_TR
dc.subject Melting tr_TR
dc.subject Molecular Dynamics tr_TR
dc.subject Embedded Atom Method tr_TR
dc.subject Icosahedron tr_TR
dc.title Thermodynamics of small platinum clusters tr_TR
dc.type article tr_TR
dc.relation.journal Computational Materials Science tr_TR
dc.contributor.authorID 20965 tr_TR
dc.contributor.authorID 163582 tr_TR
dc.identifier.volume 35 tr_TR
dc.identifier.issue 3 tr_TR
dc.identifier.startpage 192 tr_TR
dc.identifier.endpage 197 tr_TR
dc.contributor.department Çankaya Üniversitesi, Mühendislik Fakültesi, Elektronik ve Haberleşme Mühendisliği; Çankaya Üniversitesi, Mühendislik Fakültesi, Bilgisayar Mühendisliği tr_TR


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