Literature DB >> 32933306

Connection between liquid and non-crystalline solid phases in water.

Fausto Martelli1, Fabio Leoni2, Francesco Sciortino3, John Russo2.   

Abstract

The origin of water anomalies hides in an experimentally inaccessible region of the phase diagram known as no-man's land, bounded at low temperature by the domain of stability of amorphous glasses, and at high temperature by the homogeneous nucleation line, below which liquid water loses its metastability. The existence of at least two different forms of glass on one side, i.e., the low-density amorphous (LDA) and the high-density amorphous (HDA) ices, and of one anomalous liquid on the other side, points to a hidden connection between these states, whose understanding has the potential to uncover what happens in no-man's land and shed light on the complex nature of water's behavior. Here, we develop a Neural Network scheme capable of discerning local structures beyond tetrahedrality. Applied over a wide region of the water's phase diagram, we show that the local structures that characterize both LDA and HDA amorphous phases are indeed embedded in the supercooled liquid phase. Remarkably, the rapid increase in the LDA-like population with supercooling occurs in the same temperature and pressure region where thermodynamic fluctuations are maximized, linking these structures with water's anomalies. At the same time, the population of HDA-like environments rapidly increases with pressure, becoming the majority component at high density. Our results show that both LDA and HDA are genuine glasses, and provide a microscopic connection between the non-equilibrium and equilibrium phase diagrams of water.

Entities:  

Year:  2020        PMID: 32933306     DOI: 10.1063/5.0018923

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  3 in total

1.  The impact of temperature and unwanted impurities on slow compression of ice.

Authors:  Christina M Tonauer; Marion Bauer; Thomas Loerting
Journal:  Phys Chem Chem Phys       Date:  2021-12-22       Impact factor: 3.676

2.  Molecular dynamics analysis of elastic properties and new phase formation during amorphous ices transformations.

Authors:  Anastasiia Garkul; Vladimir Stegailov
Journal:  Sci Rep       Date:  2022-08-03       Impact factor: 4.996

3.  Manifestations of metastable criticality in the long-range structure of model water glasses.

Authors:  Thomas E Gartner; Salvatore Torquato; Roberto Car; Pablo G Debenedetti
Journal:  Nat Commun       Date:  2021-06-07       Impact factor: 14.919

  3 in total

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