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Interplay between time-temperature transformation and the liquid-liquid phase transition in water
Authors:Yamada Masako  Mossa Stefano  Stanley H Eugene  Sciortino Francesco
Affiliation:Center for Polymer Studies and Department of Physics, Boston University, Boston, Massachusetts 02215, USA.
Abstract:We study the new water model proposed by Mahoney and Jorgensen [J. Chem. Phys. 112, 8910 (2000)], 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 nonmonotonic "nose-shaped" temperature of maximum density line and a nonreentrant 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.
Keywords:
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