Structure of High-Pressure Supercooled and Glassy Water,Physical Review Letters

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Structure of High-Pressure Supercooled and Glassy Water
Physical Review Letters ( IF 8.1 ) Pub Date : 2021-10-19 , DOI: 10.1103/physrevlett.127.175502
Riccardo Foffi ₁ , Francesco Sciortino ₁

Affiliation

We numerically investigate the structure of deep supercooled and glassy water under pressure, covering the range of densities corresponding to the experimentally produced high- and very-high-density amorphous phases. At

T = 188 K

, a continuous increase in density is observed on varying pressure from 2.5 to 13 kbar, with no signs of first-order transitions. Exploiting a recently proposed approach to the analysis of the radial distribution function—based on topological properties of the hydrogen-bond network—we are able to identify well-defined local geometries that involve pairs of molecules separated by multiple hydrogen bonds, specific to the high- and very-high-density structures.

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