Computer modeling of small clusters in nickel-phosphorus systems

Computer modeling of small clusters in nickel-phosphorus systems

The structures of a series of small clusters of NiP are calculated by molecular dynamics with two types of interacting potential: a Morse and empirical potential. A special effect of the P alloying into the small cluster of nickel is observed, namely the clusters consisting of two phosphorus are un...

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Veröffentlicht in:Journal of non-crystalline solids 1994-11, Vol.176 (2), p.133-139
Hauptverfasser: Stepanyuk, V.S., Grigorenko, B.L., Szasz, A., Katsnelson, A.A., Watson, L.M.
Format: Artikel
Sprache:eng
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Zusammenfassung:The structures of a series of small clusters of NiP are calculated by molecular dynamics with two types of interacting potential: a Morse and empirical potential. A special effect of the P alloying into the small cluster of nickel is observed, namely the clusters consisting of two phosphorus are unstable. The explanation is given by the symmetries of the clusters.
ISSN:0022-3093
1873-4812
DOI:10.1016/0022-3093(94)90070-1