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- Title
Molecular-Dynamics Simulations of Nickel Clusters.
- Authors
Erkoç, Şakir; Güneş, Bilal; Güneş, Pervin
- Abstract
Structural stability and energetics of nickel clusters, Ni[sub N] (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.
- Subjects
NICKEL; CLUSTER theory (Nuclear physics); MOLECULAR dynamics
- Publication
International Journal of Modern Physics C: Computational Physics & Physical Computation, 2000, Vol 11, Issue 5, p1013
- ISSN
0129-1831
- Publication type
Article