Simulation structural properties of Ni clusters by transferable tight-binding potential

A transferable tight-binding potential for Ni has been developed. Molecular dynamics methods and simulated annealing techniques have been used to study the structural properties of Ni clusters with this potential. We have obtained the structures of some Ni clusters. The average coordination number,...

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Veröffentlicht in:Journal of materials science & technology 1999-07, Vol.15 (4), p.320-322
Hauptverfasser: Luo, C, Cao, A, Zhou, Y
Format: Artikel
Sprache:eng
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Zusammenfassung:A transferable tight-binding potential for Ni has been developed. Molecular dynamics methods and simulated annealing techniques have been used to study the structural properties of Ni clusters with this potential. We have obtained the structures of some Ni clusters. The average coordination number, ionization potentials and the stability of clusters have also been calculated.
ISSN:1005-0302