Structure of High-Pressure Supercooled and Glassy Water
| Autor: | Riccardo Foffi, Francesco Sciortino |
|---|---|
| Rok vydání: | 2021 |
| Předmět: |
Range (particle radiation)
Materials science Statistical Mechanics (cond-mat.stat-mech) Hydrogen bond Structure (category theory) FOS: Physical sciences General Physics and Astronomy Condensed Matter - Soft Condensed Matter Amorphous solid Chemical physics High pressure Amorphous ice Soft Condensed Matter (cond-mat.soft) Molecule Supercooling Condensed Matter - Statistical Mechanics |
| Zdroj: | Physical Review Letters. 127 |
| ISSN: | 1079-7114 0031-9007 |
| DOI: | 10.1103/physrevlett.127.175502 |
| Popis: | 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 $T = 188$ 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 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 |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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