TY - JOUR
T1 - Comparison of thermodynamic properties of simulated liquid silica and water
AU - Poole, Peter H.
AU - Hemmati, Mahin
AU - Angell, Charles
PY - 1997
Y1 - 1997
N2 - 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.
AB - 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.
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U2 - 10.1103/PhysRevLett.79.2281
DO - 10.1103/PhysRevLett.79.2281
M3 - Article
AN - SCOPUS:0000948114
SN - 0031-9007
VL - 79
SP - 2281
EP - 2284
JO - Physical Review Letters
JF - Physical Review Letters
IS - 12
ER -