Thermodynamic and dynamical heterogeneities during glass transition of water

被引:3
|
作者
Ye, Yi [1 ,2 ]
Ning, Nanying [2 ]
Tian, Ming [1 ,2 ]
Zhang, Liqun [1 ,2 ]
Mi, Jianguo [1 ]
机构
[1] Beijing Univ Chem Technol, State Key Lab Organ Inorgan Composites, Beijing 100029, Peoples R China
[2] Beijing Univ Chem Technol, Key Lab Beijing City Preparat & Proc Novel Polyme, Beijing, Peoples R China
基金
中国国家自然科学基金;
关键词
Glass transition; Dynamic correlation length; Thermodynamic heterogeneity; DDFT; Renormalization group; DENSITY-FUNCTIONAL THEORY; RENORMALIZATION-GROUP THEORY; MODE-COUPLING THEORY; LENGTH; FLUIDS;
D O I
10.1016/j.molliq.2018.01.024
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Understanding the glass transition of water is still a major scientific challenge. Here we propose a dynamic density functional renormalization group approach to analyze the liquid-liquid phase transitions and diffusion dynamics of water molecules under supercooling condition. We find that, as the temperature approaches the glass transition point, the metastable phase transition displays the confined critical scaling behavior, and the dynamic correlation length actually diverges simultaneously. The predicted glass temperature is 142.5 K, close to the experimental value of 136 K. These results suggest a deep coupling feature of the thermodynamic and dynamical heterogeneities during the glass transition of supercooled water. (C) 2018 Elsevier B.V. All rights reserved.
引用
收藏
页码:91 / 95
页数:5
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