MOLECULAR-DYNAMICS SIMULATIONS OF NICKEL CLUSTERS

Şakir Erkoç (), Bilal Güneş and Pervin Güneş
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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

International Journal of Modern Physics C (IJMPC), 2000, vol. 11, issue 05, 1013-1024

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.

Keywords: Nickel Clusters; Empirical Potentials; Molecular-Dynamics; 36.40.-c; 36.40.Qv; 61.46.+w; 02.70.Ns (search for similar items in EconPapers)
Date: 2000
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DOI: 10.1142/S0129183100000845

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