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Molecular-Dynamics Simulations Of Nickel Clusters

Author

Listed:
  • ŞAKIR ERKOÇ

    (Department of Physics, Middle East Technical University, 06531 Ankara, Turkey)

  • BILAL GÜNEŞ

    (Fizik Bölümü, Gazi Eğitim Fakültesi, Gazi Üniversitesi, 06500 Ankara, Turkey)

  • PERVIN GÜNEŞ

    (Fizik Bölümü, Gazi Eğitim Fakültesi, Gazi Üniversitesi, 06500 Ankara, Turkey)

Abstract

Structural stability and energetics of nickel clusters,NiN(N =3-459), have been investigated by molecular-dynamics simulations. A size-dependent empirical model potential energy function has been used in the simulations. Stable structures of the microclusters with sizesN = 3-55and clusters generated fromfcccrystal structure with sizesN = 79-459have been determined by molecular-dynamics simulations. It has been found that the five-fold symmetry appears on the surface of the spherical clusters. The average coordination number shows a size-dependent characteristic, on the other hand the average nearest-neighbor distance does not show a size-dependence.

Suggested Citation

  • Şakir Erkoç & Bilal Güneş & Pervin Güneş, 2000. "Molecular-Dynamics Simulations Of Nickel Clusters," International Journal of Modern Physics C (IJMPC), World Scientific Publishing Co. Pte. Ltd., vol. 11(05), pages 1013-1024.
    • Handle: RePEc:wsi:ijmpcx:v:11:y:2000:i:05:n:s0129183100000845
    DOI: 10.1142/S0129183100000845
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