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 December 3, 2024)
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The Free Energy Surface of Supercooled Water
Published
Author(s)
A Scala, , 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
Pub Type
Journals
Download Paper
Keywords
glass transition, molecular dynamics, phase diagram, simulations, water
Citation
Issues
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Created November 30, 2000, Updated October 12, 2021