Structure of high-pressure supercooled and glassy water
Abstract
We numerically investigate the metastable equilibrium structure of deep supercooled and glassy water under pressure, covering the range of densities corresponding to the experimentally produced high-density and very-high-density amorphous phases. At K, a continuous increase in density is observed on varying pressure from to 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 pair of molecules separated by multiple hydrogen bonds, specific of the high and very high density structures.
Keywords
Cite
@article{arxiv.2109.08766,
title = {Structure of high-pressure supercooled and glassy water},
author = {Riccardo Foffi and Francesco Sciortino},
journal= {arXiv preprint arXiv:2109.08766},
year = {2021}
}
Comments
Main text: 5 pages, 6 figures. Supplemental material: 19 pages, 18 figures. Accepted for publication in Physical Review Letters