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Browsing by Author "Yildirim, EK"

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    Citation - WoS: 7
    Citation - Scopus: 7
    Structure and Dynamical Properties of Aun, N=12-14 Clusters: Molecular Dynamics Simulation
    (World Scientific Publ Co Pte Ltd, 2005) Yildirim, EK; Atis, M; Güvenç, ZB; 06.01. Bilgisayar Mühendisliği; 06. Mühendislik Fakültesi; 01. Çankaya Üniversitesi
    Using 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.