Modelling the structure of Ni65B35 metallic glass by reverse Monte Carlo simulation

L. Pusztai, E. Svab

Research output: Contribution to journalArticle

32 Citations (Scopus)

Abstract

Reverse Monte Carlo (RMC) simulation was applied for modelling the atomic level structure of the Ni65B35 amorphous metallic alloy. Three experimental total structure factors from isotopic substitution neutron diffraction measurements were used as input data. Using the particle configurations that were provided by the RMC calculations, neighbour distribution functions and cosine distribution of bond angles were evaluated. Local symmetries were found to be well defined around Ni atoms. B atoms are distributed more randomly. Using constraints on the B-B coordination number it is shown that the presence of boron pairs or the formation of boron chains are possibilities. None of these implications changed the local structure considerably, although we could not fully impose the constraints, because the level of RMC fit would have deteriorated.

Original languageEnglish
Article number007
Pages (from-to)8815-8828
Number of pages14
JournalJournal of Physics Condensed Matter
Volume5
Issue number47
DOIs
Publication statusPublished - 1993

Fingerprint

Boron
Metallic glass
metallic glasses
boron
Atoms
Neutron diffraction
coordination number
Distribution functions
atoms
neutron diffraction
Substitution reactions
simulation
distribution functions
substitutes
symmetry
configurations
Monte Carlo simulation

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Electronic, Optical and Magnetic Materials

Cite this

Modelling the structure of Ni65B35 metallic glass by reverse Monte Carlo simulation. / Pusztai, L.; Svab, E.

In: Journal of Physics Condensed Matter, Vol. 5, No. 47, 007, 1993, p. 8815-8828.

Research output: Contribution to journalArticle

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