Second critical point in two realistic models of water

Science
Pablo G DebenedettiGül H Zerze

Abstract

The hypothesis that water has a second critical point at deeply supercooled conditions was formulated to provide a thermodynamically consistent interpretation of numerous experimental observations. A large body of work has been devoted to verifying or falsifying this hypothesis, but no unambiguous experimental proof has yet been found. Here, we use histogram reweighting and large-system scattering calculations to investigate computationally two molecular models of water, TIP4P/2005 and TIP4P/Ice, widely regarded to be among the most accurate classical force fields for this substance. We show that both models have a metastable liquid-liquid critical point at deeply supercooled conditions and that this critical point is consistent with the three-dimensional Ising universality class.

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Citations

Sep 17, 2020·The Journal of Chemical Physics·Fausto MartelliJohn Russo
Oct 4, 2020·Proceedings of the National Academy of Sciences of the United States of America·Thomas E GartnerPablo G Debenedetti
Oct 10, 2020·The Journal of Chemical Physics·Hajime Tanaka
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