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  4. Temperature- and pressure-dependence of the hydrogen bond network in plastic ice VII
 
research article

Temperature- and pressure-dependence of the hydrogen bond network in plastic ice VII

Toffano, Alberto
•
Russo, John
•
Rescigno, Maria
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September 7, 2022
Journal Of Chemical Physics

We model, via classical molecular dynamics simulations, the plastic phase of ice VII across a wide range of the phase diagram of interest for planetary investigations. Although structural and dynamical properties of plastic ice VII are mostly independent on the thermodynamic conditions, the hydrogen bond network (HBN) acquires a diverse spectrum of topologies distinctly different from that of liquid water and of ice VII simulated at the same pressure. We observe that the HBN topology of plastic ice carries some degree of similarity with the crystal phase, stronger at thermodynamic conditions proximal to ice VII, and gradually lessening when approaching the liquid state. Our results enrich our understanding of the properties of water at high pressure and high temperature and may help in rationalizing the geology of water-rich planets. Published under an exclusive license by AIP Publishing.

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Type
research article
DOI
10.1063/5.0111189
Web of Science ID

WOS:000859517800005

Author(s)
Toffano, Alberto
Russo, John
Rescigno, Maria
Ranieri, Umbertoluca
Bove, Livia E.  
Martelli, Fausto
Date Issued

2022-09-07

Publisher

AIP Publishing

Published in
Journal Of Chemical Physics
Volume

157

Issue

9

Article Number

094502

Subjects

Chemistry, Physical

•

Physics, Atomic, Molecular & Chemical

•

Chemistry

•

Physics

•

ring statistics

•

phase-diagram

•

water

•

dynamics

•

simulation

•

model

•

transitions

•

mixtures

•

salt

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

Available on Infoscience
October 10, 2022
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/191386
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