Numerical study of the dynamic properties of silica aerogels

Citation
A. Rahmani et al., Numerical study of the dynamic properties of silica aerogels, J PHYS-COND, 13(23), 2001, pp. 5413-5426
Citations number
30
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
JOURNAL OF PHYSICS-CONDENSED MATTER
ISSN journal
09538984 → ACNP
Volume
13
Issue
23
Year of publication
2001
Pages
5413 - 5426
Database
ISI
SICI code
0953-8984(20010611)13:23<5413:NSOTDP>2.0.ZU;2-U
Abstract
We have developed a realistic model for silica aerogels based on a diffusio n-limited cluster-cluster aggregation model in three dimensions with a prim ary particle represented by a sample of vitreous silica given by molecular dynamics simulations. Using the spectral moments method, with more than 30 000 computed moments, we calculated the densities of states and the dynamic structure factors of a simulated sample of silica aerogels of different ma croscopic densities. We reproduce the vibration spectra experimentally obta ined on basic silica, with a fracton region composed of two contributions a ssociated with stretching and bond-bending modes respectively. The spectral dimensions describing these contributions are close to the measured values . The analysis of our numerical results in the fight of the scaling argumen t is reported.