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, ‡
       

Transition matrix elements. Panels (a) and (b) show, respectively, the TLH (the transition probability from L to H) and THL (the transition probability from H to L) at 1 atm and 300 K, given by the 4000-molecule simulations, where the open squares (circles) represent the HDL (LDL) molecules in the first shell of UHDL (HDL1 and LDL1) and the solid squares (circles) represent the non-first-shell HDL (LDL) molecules (HDL2 and LDL2).