Crossover between tetrahedral and hexagonal structures in liquid water

It is widely accepted that liquid water structure is comprised of two closely interweaved components; i.e. tetrahedral (low density) and hexagonal (high density) structures. The relative amount of these components is temperature and pressure dependent. We propose an order parameter, based on the rad...

Full description

Saved in:
Bibliographic Details
Published in:Physics letters. A 2011-01, Vol.375 (3), p.572-576
Main Authors: Chara, Osvaldo, McCarthy, Andrés N., Grigera, J. Raúl
Format: Article
Language:English
Subjects:
Atomic structure
Crossovers
Density
Dominance
High density
Liquids
Order parameters
Radial distribution
Solid state physics
Two-state model
Water radial distribution function components
Water structure
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:It is widely accepted that liquid water structure is comprised of two closely interweaved components; i.e. tetrahedral (low density) and hexagonal (high density) structures. The relative amount of these components is temperature and pressure dependent. We propose an order parameter, based on the radial distribution function, that quantifies the relative structural composition at any defined temperature and pressure, thus establishing the crossover point in structural dominance. At 300 K this point lies close to 2 kbar, pressure at which water looses most of its ‘anomalous’ properties.
ISSN:0375-9601
1873-2429
DOI:10.1016/j.physleta.2010.11.061