Güvenç, ZBKökten, HSebetci, A05.01. İç Mimarlık06.01. Bilgisayar Mühendisliği06. Mühendislik Fakültesi05. Mimarlık Fakültesi01. Çankaya Üniversitesi2021-12-142025-09-182021-12-142025-09-182004Sebetçi, Ali; Güvenç, Ziya Burhanettin; Kökten, Hatice (2004). "Phase changes in icosahedral 54-, 55-, 56-atom platinum clusters", International Journal of Modern Physics C, Vol. 15, No. 7, pp. 981-988.0129-1831https://doi.org/10.1142/S0129183104006431https://hdl.handle.net/123456789/11182Using the Voter and Chen version of an embedded-atom model, derived by fitting simultaneously to experimental data both the diatomic molecule and bulk platinum, we have studied the melting behavior of free, icosahedral, 54-, 55- and 56-atom platinum clusters 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 effect of a central atom in the icosahedral structure to the melting process is discussed. The results show that the global minimum structures of the 54-, 55- and 56-atom Pt clusters do not melt at a specific temperature, rather, melting processes take place over a finite temperature range. The heat capacity peaks are not delta-functions, but instead remain finite. An ensemble of clusters in the melting region is a mixture of solid-like and liquid-like clusters.eninfo:eu-repo/semantics/closedAccessPt ClustersMeltingMolecular DynamicsEmbedded Atom MethodIcosahedronArticle10.1142/S01291831040064312-s2.0-7444266953