Elementary mechanisms governing the dynamics of silica

Citation
N. Mousseau et al., Elementary mechanisms governing the dynamics of silica, J CHEM PHYS, 112(2), 2000, pp. 960-964
Citations number
20
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
112
Issue
2
Year of publication
2000
Pages
960 - 964
Database
ISI
SICI code
0021-9606(20000108)112:2<960:EMGTDO>2.0.ZU;2-U
Abstract
A full understanding of glasses requires an accurate atomistic picture of t he complex activated processes that constitute the low-temperature dynamics of these materials. To this end, we generate over five thousand activated events in a model silica glass, using the activation-relaxation technique; these atomistic mechanisms are analyzed and classified according to their a ctivation energies, their topological properties and their spatial extent. We find that these are collective processes, involving ten to hundreds of a toms with a continuous range of activation energies; that diffusion and rel axation occurs through the creation, annihilation and motion of single dang ling bonds; and that silicon and oxygen have essentially the same diffusivi ty. (C) 2000 American Institute of Physics. [S0021-9606(00)71402-4].