MELTING AND FRAGMENTATION OF NICKEL NANOPARTICLES: MOLECULAR–DYNAMICS SIMULATIONS

Bilal Güneş and Şakir Erkoç ()
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Bilal Güneş: Department of Physics, Gazi Education Faculty, Gazi University, 06500 Ankara, Turkey
Şakir Erkoç: Department of Physics, Middle East Technical University, 06531 Ankara, Turkey

International Journal of Modern Physics C (IJMPC), 2000, vol. 11, issue 08, 1567-1580

Abstract: Melting and fragmentation behaviors ofNi429cluster have been studied with molecular-dynamics simulations using a size-dependent empirical model potential energy function. To monitor thermal behaviors of the cluster, we calculated some physical quantities such as average potential energy per atom, specific heat, radial atomic distribution, bond length distribution, average interatomic distance, nearest neighbor distance and average coordination number as a function of temperature. The roles of the surface and core atoms in the melting and fragmentation process of the cluster are also investigated by considering the surface and the bulk coordination numbers of the cluster.

Keywords: Nickel Clusters; Melting; Fragmentation; Empirical Potentials; Nanoparticles; 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/S0129183100001437

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