Structure of high-pressure supercooled and glassy water
arXiv:2109.08766 · doi:10.1103/PhysRevLett.127.175502
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.
Main text: 5 pages, 6 figures. Supplemental material: 19 pages, 18 figures. Accepted for publication in Physical Review Letters