Comparison of thermodynamic properties of simulated liquid silica and water

Peter H. Poole, Mahin Hemmati, Charles Angell

Research output: Contribution to journalArticle

146 Scopus citations

Abstract

We conduct extensive molecular dynamics computer simulations of a rigid-ion model of liquid silica [L.V. Woodcock et al., J. Chem. Phys. 65, 1565 (1976)], evaluating thermodynamic and transport properties over a wide range of pressure and temperature. We find numerous similarities with behavior found in simulations of supercooled water, including a line of density maxima that passes through a maximum temperature as a function of pressure, and the emergence as temperature decreases of maxima in isotherms of the isothermal compressibility as a function of density.

Original languageEnglish (US)
Pages (from-to)2281-2284
Number of pages4
JournalPhysical Review Letters
Volume79
Issue number12
DOIs
StatePublished - Jan 1 1997

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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