Thermodynamic discontinuity between low-density amorphous ice and supercooled water.
A combination of reverse Monte Carlo, molecular dynamics, and lattice dynamics simulations were used to obtain structural and thermodynamic data for low-density amorphous ice. A thermodynamically discontinuous transformation to a phase with properties and a structure consistent with supercooled liquid water is found to occur at approximately 130 K. Quantum corrections have a profound effect on thermodynamic properties and the location of important thermodynamic points in the water phase diagram.
Shpakov
V P
VP
Department of Chemistry, Warwick University, Coventry CV4 7AL, United Kingdom.
Rodger
P M
PM
Tse
J S
JS
Klug
D D
DD
Belosludov
V R
VR