Molecular-dynamics simulations of nickel clusters

Date

2000-07-01

Author

Erkoç, Şakir
Gunes, B
Gunes, P

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Structural stability and energetics of nickel clusters, Nih (N = 3 - 459), have been inves tigated 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 fee crystal structure with sizes N = 79 - 459 have been determined by molecular-dynamics simulations. It has been found that the fivefold 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.

Subject Keywords

Molecular-dynamics, Empirical potentials, Nickel clusters

URI

https://hdl.handle.net/11511/56987

Collections

Department of Physics, Article