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 October 31, 2024)
Official websites use .gov
A .gov website belongs to an official government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you’ve safely connected to the .gov website. Share sensitive information only on official, secure websites.
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
If you have any questions about this publication or are having problems accessing it, please contact reflib@nist.gov.
Created November 30, 2000, Updated October 12, 2021