Computer modeling of small clusters in nickel-phosphorus systems

V. S. Stepanyuk, B. L. Grigorenko, A. Szász, A. A. Katsnelson, L. M. Watson

Research output: Contribution to journalArticle

Abstract

The structures of a series of small clusters of NiP 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.

Original languageEnglish
Pages (from-to)133-139
Number of pages7
JournalJournal of Non-Crystalline Solids
Volume176
Issue number2-3
DOIs
Publication statusPublished - Nov 1 1994

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Special effects
Nickel
Alloying
Phosphorus
phosphorus
Molecular dynamics
nickel
Morse potential
alloying
molecular dynamics
symmetry

ASJC Scopus subject areas

  • Ceramics and Composites
  • Electronic, Optical and Magnetic Materials

Cite this

Stepanyuk, V. S., Grigorenko, B. L., Szász, A., Katsnelson, A. A., & Watson, L. M. (1994). Computer modeling of small clusters in nickel-phosphorus systems. Journal of Non-Crystalline Solids, 176(2-3), 133-139. https://doi.org/10.1016/0022-3093(94)90070-1

Computer modeling of small clusters in nickel-phosphorus systems. / Stepanyuk, V. S.; Grigorenko, B. L.; Szász, A.; Katsnelson, A. A.; Watson, L. M.

In: Journal of Non-Crystalline Solids, Vol. 176, No. 2-3, 01.11.1994, p. 133-139.

Research output: Contribution to journalArticle

Stepanyuk, VS, Grigorenko, BL, Szász, A, Katsnelson, AA & Watson, LM 1994, 'Computer modeling of small clusters in nickel-phosphorus systems', Journal of Non-Crystalline Solids, vol. 176, no. 2-3, pp. 133-139. https://doi.org/10.1016/0022-3093(94)90070-1
Stepanyuk, V. S. ; Grigorenko, B. L. ; Szász, A. ; Katsnelson, A. A. ; Watson, L. M. / Computer modeling of small clusters in nickel-phosphorus systems. In: Journal of Non-Crystalline Solids. 1994 ; Vol. 176, No. 2-3. pp. 133-139.
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