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, ‡
       

Concentrations (Cα) of and correlations (Cαβ) between different molecule types. (a) Simulation snapshot of 216 liquid-water molecules at 1 atm and 300 K, where the green, white, and red spheres represent the LDL, HDL, and UHDL molecules, respectively. These molecules are labeled according to their inherent local structures. Panels (b) and (c) show, respectively, the temperature dependence of Cα and CαU=CαU/CU at 1 atm, as given by the 216-molecule simulations.