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, ‡
       

(a) Transition probabilities (obtained by the 4000-molecule simulations at 300 K and 1 atm) and (b) transition rates between the different local structures, where the numbers in the circles in (b) represent the concentrations of the corresponding species. The convergent transition rates are obtained from the transition probability matrix at t = 0.8 ps.