Ultra-high-density local structure in liquid water*

Project supported by the Key Research Program of Frontier Sciences of the Chinese Academy of Sciences (Grant No. QYZDB-SSW-SYS003) and the National Natural Science Foundation of China (Grant Nos. 11574310 and 11774394).

Yang Cheng1, 2, 3, Zhang Chuanbiao4, Ye Fangfu1, 2, 5, †, Zhou Xin2, ‡
       

Distributions of r5 in the inherent structure for different temperatures, different pressures, and different water models: (a) distributions of r5 in the inherent structure at different temperatures, calculated from the 216-molecule simulations at 1 atm; (b) distributions of r5 at different pressures, obtained by the 4000-molecule simulations at 300 K; (c) distributions of r5 for different models, given by the 1000-molecule simulations at 300 K and 1 atm.