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STRUCTURE AND DYNAMICAL PROPERTIES OFAuN,N = 12–14CLUSTERS: MOLECULAR DYNAMICS SIMULATION

Author

Listed:
  • ERDEM K. YILDIRIM

    (Department of Physics, Kırıkkale University, Yahşihan, 71451, Kırıkkale, Turkey)

  • MURAT ATİŞ

    (Department of Physics, Kırıkkale University, Yahşihan, 71451, Kırıkkale, Turkey)

  • ZİYA B. GÜVENÇ

    (Department of Electronic and Communication Engineering, Çankaya University, Balgat, 06530, Ankara, Turkey)

Abstract

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 ofAuN(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.

Suggested Citation

  • Erdem K. Yildirim & Murat Ati̇ş & Zi̇ya B. Güvenç, 2005. "STRUCTURE AND DYNAMICAL PROPERTIES OFAuN,N = 12–14CLUSTERS: MOLECULAR DYNAMICS SIMULATION," International Journal of Modern Physics C (IJMPC), World Scientific Publishing Co. Pte. Ltd., vol. 16(01), pages 99-116.
    • Handle: RePEc:wsi:ijmpcx:v:16:y:2005:i:01:n:s0129183105006966
    DOI: 10.1142/S0129183105006966
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