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

Marco G. Mazza; Kevin Stokely; Elena Strekalova; H. Eugene Stanley; Giancarlo Franzese

doi:10.1016/j.cpc.2009.01.018

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arXiv · 0810.4688

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

Marco G. Mazza·Kevin Stokely·Elena Strekalova·H. Eugene Stanley·Giancarlo Franzese

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Abstract

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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Marco G. Mazza, Kevin Stokely, Elena Strekalova, H. Eugene Stanley, Giancarlo Franzese. 2009-01-20. Cluster Monte Carlo and numerical mean field analysis for the water liquid--liquid phase transition. https://doi.org/10.1016/j.cpc.2009.01.018

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