Carbon ionization from a quantum average-atom model up to gigabar pressures.


Journal

Physical review. E
ISSN: 2470-0053
Titre abrégé: Phys Rev E
Pays: United States
ID NLM: 101676019

Informations de publication

Date de publication:
Aug 2021
Historique:
received: 18 03 2021
accepted: 28 07 2021
entrez: 16 9 2021
pubmed: 17 9 2021
medline: 17 9 2021
Statut: ppublish

Résumé

We use a nonrelativistic average-atom model to calculate carbon ionization at megabar and gigabar pressures. The pressure is calculated using the stress-tensor method. The electronic electrical conductivity is also considered using the Kubo-Greenwood approach. Comparisons are made with quantum molecular dynamic simulations. A good agreement is obtained for the pressure between the average-atom model and the quantum molecular dynamic simulations in the regime of gigabar pressures. However, the discrepancy already seen with the PURGATORIO code for the average ionization deduced from the quantum molecular dynamic simulations is also observed here with the present average-atom model. Excellent agreement with the PURGATORIO code is found for the average ionization.

Identifiants

pubmed: 34525570
doi: 10.1103/PhysRevE.104.025209
doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

025209

Auteurs

Gérald Faussurier (G)

CEA, DAM, DIF, F-91297 Arpajon, France and Université Paris-Saclay, CEA, LMCE, F-91680 Bruyères-le-Châtel, France.

Christophe Blancard (C)

CEA, DAM, DIF, F-91297 Arpajon, France and Université Paris-Saclay, CEA, LMCE, F-91680 Bruyères-le-Châtel, France.

Mandy Bethkenhagen (M)

École Normale Supérieure de Lyon, Université Lyon 1, Laboratoire de Géologie de Lyon, CNRS UMR 5276, F-69364 Lyon Cedex 07, France and University of Rostock, 18051 Rostock, Germany.

Classifications MeSH