English

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

Soft Condensed Matter 2009-11-13 v2 Statistical Mechanics

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.

Keywords

Cite

@article{arxiv.0810.4688,
  title  = {Cluster Monte Carlo and numerical mean field analysis for the water liquid--liquid phase transition},
  author = {Marco G. Mazza and Kevin Stokely and Elena Strekalova and H. Eugene Stanley and Giancarlo Franzese},
  journal= {arXiv preprint arXiv:0810.4688},
  year   = {2009}
}

Comments

6 pages, 3 figures