Sodium diffusion through amorphous silica surfaces: A molecular dynamics study

Michael Rarivomanantsoa (1) , Philippe Jund (2) , Remi Jullien (3)

1 HSM - Hydrosciences Montpellier
2 LPCMC - Laboratoire de physico-chimie de la matière condensée
3 LCVN - Laboratoire des colloïdes, verres et nanomatériaux

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.

Domaines: Chimie-Physique [physics.chem-ph]

Michael Rarivomanantsoa, Philippe Jund, Remi Jullien. Sodium diffusion through amorphous silica surfaces: A molecular dynamics study. The Journal of Chemical Physics, 2004, 120 (10), pp.4915-4920. ⟨10.1063/1.1645511⟩. ⟨hal-00122365⟩