Yildirim, EKAtis, MGüvenç, ZB06.01. Bilgisayar Mühendisliği06. Mühendislik Fakültesi01. Çankaya Üniversitesi2020-04-182025-09-182020-04-182025-09-182005Yıldırım, E.K.; Atis, M.; Güvenç, Ziya B., "Structure and dynamical properties of Au-N, N=12-14 clusters: Molecular dynamics simulation", International Journal Of Modern Physics C, Vol.16, No.1, pp.99-116, (2005).0129-18311793-6586https://doi.org/10.1142/S0129183105006966https://hdl.handle.net/123456789/11570Atis, Murat/0000-0003-4429-6897Using molecular dynamics and thermal quenching methods on the basis of Voter-Chen version of the embedded-atom method, we have studied the melting behavior of Au-N (N = 12, 13, 14) clusters. This behavior is described in terms of overall and atom resolved root-mean-square bond-length fluctuations, specific-heat, short- and long-time average coordination numbers of each atom and short-time average temperatures of the clusters. The isomer sampling probabilities are obtained from the thermal quenching of the molten clusters, and their energy-spectrum widths are investigated. Phase change of a cluster takes place with the collective and simultaneous motion of all the atoms.eninfo:eu-repo/semantics/closedAccessClusterGoldAuMolecular DynamicsEmbedded-Atom MethodsMeltingArticle10.1142/S01291831050069662-s2.0-21344437048