Density minimum and liquid-liquid phase transition

Details Density minimum and liquid-liquid phase transition Density minimum and liquid-liquid phase transition

2005-04-22

arxiv.org/abs/cond-mat/0504574v1

J. Phys.: Condens. Matter 17, L431-L437 (2005)

Physics

Condensed Matter

Statistical Mechanics

5 pages, 4 figures

Scientific paper

10.1088/0953-8984/17/43/L01

We present a high-resolution computer simulation study of the equation of state of ST2 water, evaluating the liquid-state properties at 2718 state points, and precisely locating the liquid-liquid critical point (LLCP) occurring in this model. We are thereby able to reveal the interconnected set of density anomalies, spinodal instabilities and response function extrema that occur in the vicinity of a LLCP for the case of a realistic, off-lattice model of a liquid with local tetrahedral order. In particular, we unambiguously identify a density minimum in the liquid state, define its relationship to other anomalies, and show that it arises due to the approach of the liquid structure to a defect-free random tetrahedral network of hydrogen bonds.

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