Author/Authors :
Bongiorno، نويسنده , , A. and Colombo، نويسنده , , L. and Cargnoni، نويسنده , , F.، نويسنده ,
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.
