Sebetci, AGuvenc, ZB2020-04-182025-09-182020-04-182025-09-182004Şerbetçi, A.; Güvenç, Z.B., "Molecular dynamics simulation of the melting behaviour of 12-, 13-, 14-atom icosahedral platinum clusters", Modelling And Simulation In Materials Science And Engineering, Vol.12, No.6, pp.1131-1138, (2004).0965-03931361-651Xhttps://doi.org/10.1088/0965-0393/12/6/007https://hdl.handle.net/20.500.12416/10841Using the molecular dynamics simulation technique, we have studied the melting behaviour of free, icosahedral Pt-N clusters in the size range of N = 12-14. The Voter and Chen version of an embedded-atom model, derived by fitting to experimental data of both the diatomic molecule and bulk platinum simultaneously, has been employed in this study. 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 while the 13-atom icosahedron and the 12-atom cluster with a vacancy on the icosahedral surface exhibit one-stage melting, the 14-atom cluster with an adatom on the icosahedral surface undergoes two-stage melting, as the temperature increases.eninfo:eu-repo/semantics/openAccessArticle10.1088/0965-0393/12/6/0072-s2.0-9144272910