Molecular dynamic simulations were made of displacement cascades due to energetic recoils in amorphous silica without H atoms and with 1% of H atoms. The aim was to try to identify defect formation, and molecular dynamics simulations were used to study the effects of H atoms in this material and their interaction with defects. The diffusion coefficients and mechanisms of H mobility in fused silica were calculated and compared with literature data. The interatomic potential developed by Feuston and Garofallini was used in both studies.

Molecular Dynamics Study of Defect in Amorphous Silica; Generation and Migration. F.Mota, J.Molla, M.J.Caturla, A.Ibarra, J.M.Perlado: Journal of Physics - Conference Series, 2008, 112[3], 032032 (5pp)