| Téléchargement | - Voir le manuscrit accepté : Stable structures of He and H2 O at high pressure (PDF, 675 Kio)
|
|---|
| DOI | Trouver le DOI : https://doi.org/10.1103/PhysRevB.91.014102 |
|---|
| Auteur | Rechercher : Liu, Hanyu; Rechercher : Yao, Yansun; Rechercher : Klug, Dennis D.1 |
|---|
| Affiliation | - Conseil national de recherches du Canada. Technologies de sécurité et de rupture
|
|---|
| Format | Texte, Article |
|---|
| Résumé | The knowledge of the structures that can exist in compounds containing helium is of interest for understanding the conditions where and if this inert element can form structures where closed shell electrons of helium can participate in bonding that is not describable exclusively by van der Waals interactions alone. In this study we examine stable mixtures of He and H2O at high pressures using a first-principles structure searching method. We find a thermodynamically stable structure that can be characterized by interactions comparable in strength to that of conventional hydrogen bonds. An orthorhombic structure with space group Ibam is identified that has progressively lower enthalpy with increasing pressure above 296 GPa than a mixture of He and H2O. This mechanically and dynamically stable structure is found at pressures that are now becoming accessible to high-pressure techniques. |
|---|
| Date de publication | 2015-01-01 |
|---|
| Dans | |
|---|
| Langue | anglais |
|---|
| Publications évaluées par des pairs | Oui |
|---|
| Numéro NPARC | 21276923 |
|---|
| Exporter la notice | Exporter en format RIS |
|---|
| Signaler une correction | Signaler une correction (s'ouvre dans un nouvel onglet) |
|---|
| Identificateur de l’enregistrement | 0b1f5d7f-fcaf-41c7-b845-1afd5d07e8ab |
|---|
| Enregistrement créé | 2015-11-10 |
|---|
| Enregistrement modifié | 2020-06-04 |
|---|
