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• W376771657 abstract "We propose a simple extension of the well known ST2 model for water [F. H. Stillinger and A. Rahman, J. Chem. Phys. 60, 1545 (1974)] that allows for a continuous modification of the hydrogen-bond angular flexibility. We show that the bond flexibility affects the relative thermodynamic stability of the liquid and of the hexagonal (or cubic) ice. On increasing the flexibility, the liquid-liquid critical point, which in the original ST2 model is located in the no-man's land (i.e., the region where ice is the thermodynamically stable phase) progressively moves to a temperature where the liquid is more stable than ice. Our study definitively proves that the liquid-liquid transition in the ST2 model is a genuine phenomenon, of high relevance in all tetrahedral network-forming liquids, including water." @default.
• W376771657 created "2016-06-24" @default.
• W376771657 creator A5040528149 @default.
• W376771657 creator A5048546250 @default.
• W376771657 date "2015-07-01" @default.
• W376771657 modified "2023-10-17" @default.
• W376771657 title "Tuning the Liquid-Liquid Transition by Modulating the Hydrogen-Bond Angular Flexibility in a Model for Water" @default.
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• W376771657 doi "https://doi.org/10.1103/physrevlett.115.015701" @default.
• W376771657 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/26182107" @default.
• W376771657 hasPublicationYear "2015" @default.
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