HYDROGEN DIFFUSION IN CRYSTALLINE SIO2

Authors
BONGIORNO A COLOMBO L CARGNONI F
Citation
A. Bongiorno et al., HYDROGEN DIFFUSION IN CRYSTALLINE SIO2, Chemical physics letters, 264(3-4), 1997, pp. 435-440
Citations number
22
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Chemical physics letters → ACNP
ISSN journal
00092614
Volume
264
Issue
3-4
Year of publication
1997
Pages
435 - 440
Database
ISI
SICI code
0009-2614(1997)264:3-4<435:HDICS>2.0.ZU;2-0
Abstract
We present a theoretical investigation on the diffusion of atomic hydr ogen in quartz, trydimite and cristobalite. By means of molecular dyna mics simulations we compute the activation energy and the diffusivity prefactor for the migration process. We further provide an atomistic m odel for the diffusion process and characterize the migration path.