Work

Density minimum and liquid–liquid phase transition

Year: 2005

Type: article

Abstract: 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 an 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.

Source: Journal of Physics Condensed Matter

DOI: 10.1088/0953-8984/17/43/l01

Authors: Peter H Poole, Ivan Saika-Voivod, Francesco Sciortino

Institutions: St. Francis Xavier University, University of Saskatchewan, Sapienza University of Rome

Language: English

Topic: Material Dynamics and Properties

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: bronze

Funders: St. Francis Xavier University, Natural Sciences and Engineering Research Council of Canada

OpenAlex ID: W1989609481

FWCI: 8.267

Cites: 28

Cited by: 210

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