Temperature- and pressure-dependence of the hydrogen bond network in plastic ice VII - Institut de Minéralogie, de Physique des Matériaux et de Cosmochimie Accéder directement au contenu
Article Dans Une Revue Journal of Chemical Physics Année : 2022

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

Résumé

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 upon 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.
Fichier principal
Vignette du fichier
JCP_plastic_2022.pdf (4.71 Mo) Télécharger le fichier
Origine : Fichiers produits par l'(les) auteur(s)

Dates et versions

hal-03874995 , version 1 (28-11-2022)

Identifiants

Citer

Alberto Toffano, John Russo, Maria Rescigno, Umbertoluca Ranieri, Livia E Bove, et al.. Temperature- and pressure-dependence of the hydrogen bond network in plastic ice VII. Journal of Chemical Physics, 2022, 157 (9), pp.094502. ⟨10.1063/5.0111189⟩. ⟨hal-03874995⟩
45 Consultations
45 Téléchargements

Altmetric

Partager

Gmail Facebook X LinkedIn More