Cluster Monte Carlo and numerical mean field analysis for the water liquid--liquid phase transition

Details Cluster Monte Carlo and numerical mean field analysis for the water liquid--liquid phase transition Cluster Monte Carlo and numerical mean field analysis for the water liquid--liquid phase transition

2008-10-26

arxiv.org/abs/0810.4688v2

Physics

Condensed Matter

Soft Condensed Matter

6 pages, 3 figures

Scientific paper

10.1016/j.cpc.2009.01.018

By the Wolff's cluster Monte Carlo simulations and numerical minimization within a mean field approach, we study the low temperature phase diagram of water, adopting a cell model that reproduces the known properties of water in its fluid phases. Both methods allows us to study the water thermodynamic behavior at temperatures where other numerical approaches --both Monte Carlo and molecular dynamics-- are seriously hampered by the large increase of the correlation times. The cluster algorithm also allows us to emphasize that the liquid--liquid phase transition corresponds to the percolation transition of tetrahedrally ordered water molecules.

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