The structure of molten ZnCl2 and MgCl2

L. Pusztai, R. L. McGreevy

Research output: Contribution to journalArticle

11 Citations (Scopus)

Abstract

The structures of molten MgCl2 and ZnCl2 have been modelled using the reverse Monte Carlo method, based on neutron and x-ray diffraction data. We show that, although the structures are similar in terms of two-body correlations (e.g. partial radial distribution functions, average coordination numbers), there are important differences in the higher order correlations (e.g. bond angle and coordination number distributions). We have also analysed the models using bond-constraint counting. All of the results are consistent with the fact that ZnCl2 has a high viscosity and is a glass former (intermediate between strong and fragile), whereas MgCl2 is not a glass former, and with their different crystal structures.

Original languageEnglish
Pages (from-to)7213-7222
Number of pages10
JournalJournal of Physics Condensed Matter
Volume13
Issue number33
DOIs
Publication statusPublished - Aug 20 2001

Fingerprint

Magnesium Chloride
coordination number
Molten materials
Glass
glass
radial distribution
Distribution functions
Monte Carlo method
counting
Neutrons
x ray diffraction
Monte Carlo methods
Diffraction
Crystal structure
distribution functions
Viscosity
viscosity
neutrons
X rays
crystal structure

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Electronic, Optical and Magnetic Materials

Cite this

The structure of molten ZnCl2 and MgCl2. / Pusztai, L.; McGreevy, R. L.

In: Journal of Physics Condensed Matter, Vol. 13, No. 33, 20.08.2001, p. 7213-7222.

Research output: Contribution to journalArticle

Pusztai, L. ; McGreevy, R. L. / The structure of molten ZnCl2 and MgCl2. In: Journal of Physics Condensed Matter. 2001 ; Vol. 13, No. 33. pp. 7213-7222.
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