期刊
SCIENCE
卷 369, 期 6501, 页码 289-+出版社
AMER ASSOC ADVANCEMENT SCIENCE
DOI: 10.1126/science.abb9796
关键词
-
资金
- National Science Foundation [CHE-1856704]
- MIUR-PRIN [2017Z55KCW]
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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