2020/06/27 by Pourasad, Saeed, Hajibabaei, Amir, Myung, Chang Woo +1
#Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Soft Condensed Matter (cond-mat.soft) #Statistical Mechanics (cond-mat.stat-mech)
paper · doi:10.48550/arxiv.2006.15295
Liquid-liquid phase transition (LLPT) in supercooled water has been a long-standing controversial issue. We show simulation results of real stable first-order phase transitions between high and low density liquid (HDL and LDL)-like structures in confined supercooled water in both positive and negative pressures. These topological phase transitions originate from H-bond network ordering in molecular rotational mode after molecular exchanges are frozen. It is explained by the order parameter-dependent free energy change upon mixing liquid-like and ice-like moieties of H-bond orientations which is governed by their two- to many-body interactions. This unexplored purely H-bond orientation-driven topological phase gives mid-density and stable intermediate mixed-phase with high and low density structures. The phase diagram of supercooled water demonstrate the second and third critical points of water.