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Thermodynamic discontinuity between low-density amorphous ice and supercooled water

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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 similar to130 K . Quantum corrections have a profound effect on thermodynamic properties and the location of important thermodynamic points in the water phase diagram

Topics: QC
Publisher: AMERICAN PHYSICAL SOC
OAI identifier: oai:wrap.warwick.ac.uk:11085
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