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American Physical Society, Physical Review Letters, 19(88)

DOI: 10.1103/physrevlett.88.195701

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Interplay Between Time-Temperature-Transformation and the Liquid-Liquid Phase Transition in Water

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This paper is available in a repository.

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Abstract

We study the TIP5P water model proposed by Mahoney and Jorgensen, which is closer to real water than previously-proposed classical pairwise additive potentials. We simulate the model in a wide range of deeply supercooled states and find (i) the existence of a non-monotonic ``nose-shaped'' temperature of maximum density line and a non-reentrant spinodal, (ii) the presence of a low temperature phase transition, (iii) the free evolution of bulk water to ice, and (iv) the time-temperature-transformation curves at different densities. ; Comment: RevTeX4, 4 pages, 4 eps figures