Free energy surface of supercooled water

被引:61
作者
Scala, A [1 ]
Starr, FW
La Nave, E
Stanley, HE
Sciortino, F
机构
[1] Boston Univ, Ctr Polymer Studies, Ctr Computat Sci, Boston, MA 02215 USA
[2] Boston Univ, Dept Phys, Boston, MA 02215 USA
[3] Univ Roma La Sapienza, Dipartimento Fis, I-00185 Rome, Italy
[4] Univ Roma La Sapienza, Ist Nazl Fis Mat, I-00185 Rome, Italy
[5] NIST, Div Polymers, Gaithersburg, MD 20899 USA
[6] NIST, Ctr Theoret & Computat Mat Sci, Gaithersburg, MD 20899 USA
来源
PHYSICAL REVIEW E | 2000年 / 62卷 / 06期
关键词
D O I
10.1103/PhysRevE.62.8016
中图分类号
O35 [流体力学]; O53 [等离子体物理学];
学科分类号
070204 ; 080103 ; 080704 ;
摘要
We present a detailed analysis of the free energy surface of a well characterized rigid model for water in supercooled states. We propose a functional form for the liquid free energy, supported by recent theoretical predictions [Y. Rosenfeld and P. Tarazona, Mel. Phys. 95, 141 (1998)], and use it to locate the position of a liquid-liquid critical point at T-C' = 130+/-5 K, P-C' = 290+/-30 MPa, and rho (C') = 1.10+/-0.03 g/cm(3). 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.
引用
收藏
页码:8016 / 8020
页数:5
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