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The Free Energy Surface of Supercooled Water

Published

Author(s)

A Scala, Francis W. Starr, E LaNave, H E. Stanley, F Sciortino

Abstract

We present a detailed analysis of the free energy surface of a well studied model of water in supercooled states. We propose a functional form for the liquid free energy supported by recent theoretical predictions [Y. Rosenfeld and P. Tarazona, Mol. Phys. 95, 141 (1998)], and it to locate the position of a liquid-liquid critical point at TC' = 130 5 K, PC' = 290 30 Mpa, and PC' = 1.10 0.03 g/cm3. The observation of the critical point strengthens the possibility that the extended simple point charge model of water may undergo a liquid-liquid phase transition. Finally, we discuss the possibility that the approach to the liquid-liquid critical point could be pre-empted by the glass transition.
Citation
Physical Review E (Statistical, Nonlinear, and Soft Matter Physics)
Volume
62
Issue
No 6

Keywords

glass transition, molecular dynamics, phase diagram, simulations, water

Citation

Scala, A. , Starr, F. , LaNave, E. , Stanley, H. and Sciortino, F. (2000), The Free Energy Surface of Supercooled Water, Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), [online], https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=851817 (Accessed April 14, 2024)
Created November 30, 2000, Updated October 12, 2021