English

Structure of high-pressure supercooled and glassy water

Soft Condensed Matter 2021-11-03 v1 Statistical Mechanics

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 T=188T = 188 K, a continuous increase in density is observed on varying pressure from 2.52.5 to 1313 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