Comparison of Thermodynamic Properties of Simulated Liquid Silica and Water
- 22 September 1997
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 79 (12) , 2281-2284
- https://doi.org/10.1103/physrevlett.79.2281
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.Keywords
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