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Phase Changes In Icosahedral 54-, 55-, 56-Atom Platinum Clusters

Author

Listed:
  • ALI SEBETCI

    (Department of Computer Engineering, Çankaya University, 06530 Ankara, Turkey)

  • ZIYA B. GÜVENÇ

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

  • HATICE KÖKTEN

    (Department of Physics, Middle East Technical University, 06530 Ankara, Turkey)

Abstract

Using 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 δ-functions, but instead remain finite. An ensemble of clusters in the melting region is a mixture of solid-like and liquid-like clusters.

Suggested Citation

  • Ali Sebetci & Ziya B. Güvenç & Hatice Kökten, 2004. "Phase Changes In Icosahedral 54-, 55-, 56-Atom Platinum Clusters," International Journal of Modern Physics C (IJMPC), World Scientific Publishing Co. Pte. Ltd., vol. 15(07), pages 981-988.
    • Handle: RePEc:wsi:ijmpcx:v:15:y:2004:i:07:n:s0129183104006431
    DOI: 10.1142/S0129183104006431
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