We present a theoretical investigation on the diffusion of atomic hydrogen in quartz, trydimite and cristobalite. By means of molecular dynamics simulations we compute the activation energy and the diffusivity prefactor for the migration process. We further provide an atomistic model for the diffusion process and characterize the migration path.
Hydrogen diffusion in crystalline SiO2
F Cargnoni
1997
Abstract
We present a theoretical investigation on the diffusion of atomic hydrogen in quartz, trydimite and cristobalite. By means of molecular dynamics simulations we compute the activation energy and the diffusivity prefactor for the migration process. We further provide an atomistic model for the diffusion process and characterize the migration path.File in questo prodotto:
| File | Dimensione | Formato | |
|---|---|---|---|
|
prod_262981-doc_72301.pdf
solo utenti autorizzati
Descrizione: Hydrogen diffusion in crystalline SiO2
Dimensione
442.73 kB
Formato
Adobe PDF
|
442.73 kB | Adobe PDF | Visualizza/Apri Richiedi una copia |
I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
