Ultra-high-density local structure in liquid water
C Yang and CB Zhang and FF Ye and X Zhou, CHINESE PHYSICS B, 28, 116104 (2019).
We employ multiple order parameters to analyze the local structure of liquid water obtained from all-atom simulations, and accordingly identify three types of molecules in water. In addition to the well- known low-density-liquid and highdensity-liquid molecules, the newly identified third type possesses an ultra-high density and over- coordinated H-bonds. The existence of this third type decreases the probability of transition of high-density-liquid molecules to low- density-liquid molecules and increases the probability of the reverse one.
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