title: Thermodynamic discontinuity between low-density amorphous ice and supercooled water.
abstract: 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.
authors.affiliation: Department of Chemistry, Warwick University, Coventry CV4 7AL, United Kingdom.
authors.forename: V P
authors.initials: VP
authors.lastname: Shpakov
authors.forename: P M
authors.initials: PM
authors.lastname: Rodger
authors.forename: J S
authors.initials: JS
authors.lastname: Tse
authors.forename: D D
authors.initials: DD
authors.lastname: Klug
authors.forename: V R
authors.initials: VR
authors.lastname: Belosludov