Sodium diffusion through amorphous silica surfaces: a molecular dynamics study

Michaël Rarivomanantsoa; Philippe Jund; Rémi Jullien

doi:10.1063/1.1645511

Sodium diffusion through amorphous silica surfaces: a molecular dynamics study

J Chem Phys. 2004 Mar 8;120(10):4915-20. doi: 10.1063/1.1645511.

Authors

Michaël Rarivomanantsoa¹, Philippe Jund, Rémi Jullien

Affiliation

¹ Dynamique et Thermodynamique des Milieux Complexes, UMR 5569 Hydrosciences, Universite Montpellier 2, Place E. Bataillon Case MSE, 34095 Montpellier Cedex 5, France.

PMID: 15267353
DOI: 10.1063/1.1645511

Abstract

We have studied the diffusion inside the silica network of sodium atoms initially located outside the surfaces of an amorphous silica film. We have focused our attention on structural and dynamical quantities, and we have found that the local environment of the sodium atoms is close to the local environment of the sodium atoms inside bulk sodo-silicate glasses obtained by quench. This is in agreement with recent experimental results.