Molecular-dynamics simulations of nickel clusters

Ş Erkoç, B Güneş, P Güneş - International Journal of Modern …, 2000 - World Scientific
Ş Erkoç, B Güneş, P Güneş
International Journal of Modern Physics C, 2000World Scientific
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 …
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.
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