Interpretation of the molten BeF2 viscosity anomaly in terms of a high temperature density maximum, and other waterlike features

M. Hemmati, C. T. Moynihan, Charles Angell

Research output: Contribution to journalArticle

90 Scopus citations

Abstract

Ion dynamics computer simulations of BeF2 were carried out over a temperature range which overlapped with the experimental viscosity data. Diffusivity data was obtained using the simple rigid ion potentials. A highly anomalous region of behavior was shown by the diffusivity data at temperatures just above the limits of laboratory measurement, which reconciled the observed viscosity with that of other liquids. Interpretion of this strongly curved region was done in terms of a strongly negative liquid expansivity regime associated with a large heat capacity regime using the Adams-Gibbs equation. The fragility of the BeF2 and SiO2 was shown to greatly exceed that of Lennard-Jones liquids.

Original languageEnglish (US)
Pages (from-to)6663-6671
Number of pages9
JournalJournal of Chemical Physics
Volume115
Issue number14
DOIs
StatePublished - Oct 8 2001

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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