First-principles molecular-dynamics simulations of a hydrous silica melt: Structural properties and hydrogen diffusion mechanism

Article de revue

Markus Pöhlmann, Magali Benoit et Walter Kob

Physical review. B, Condensed matter and materials physics, Vol.70(18), pp.184209.1-184209.14

11/2004

Résumé

Condensed matter: structure, mechanical and thermal properties

Disordered solids

Exact sciences and technology

Physics

Structural modeling: serial-addition models, computer simulation

Structure of solids and liquids; crystallography

1 Consultations de la notice

Titre: First-principles molecular-dynamics simulations of a hydrous silica melt: Structural properties and hydrogen diffusion mechanism
Créateurs - sans rôle: Markus Pöhlmann - Laboratoire des Verres, Université Montpellier 11, 34095 Montpellier, France
Magali Benoit - Laboratoire des Verres, Université Montpellier 11, 34095 Montpellier, France
Walter Kob - Laboratoire des Verres, Université Montpellier 11, 34095 Montpellier, France
Détails de publication: Physical review. B, Condensed matter and materials physics, Vol.70(18), pp.184209.1-184209.14
Éditeur: American Physical Society
Identifiants: 99147548409311
Unité académique: Laboratoire Charles Coulomb - L2C
Langue: English
Type de ressource: Journal article