Molecular-dynamics simulations of nickel clusters

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Erkoc S., Gunes B., Gunes P.

International Journal of Modern Physics C, cilt.11, sa.5, ss.1013-1024, 2000 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 11 Sayı: 5
  • Basım Tarihi: 2000
  • Doi Numarası: 10.1142/s0129183100000845
  • Dergi Adı: International Journal of Modern Physics C
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.1013-1024
  • Anahtar Kelimeler: Empirical Potentials, Molecular-Dynamics, Nickel Clusters
  • Gazi Üniversitesi Adresli: Evet

Özet

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 sizes N = 3 - 55 and clusters generated from fcc crystal structure with sizes N = 79 - 459 have 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.