Structure simulation of silica glasses: approach to CVD

Citation
V. Khavryutchenko et al., Structure simulation of silica glasses: approach to CVD, MODEL SIM M, 9(6), 2001, pp. 465-483
Citations number
25
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science","Material Science & Engineering
Journal title
MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING
ISSN journal
09650393 → ACNP
Volume
9
Issue
6
Year of publication
2001
Pages
465 - 483
Database
ISI
SICI code
0965-0393(200111)9:6<465:SSOSGA>2.0.ZU;2-M
Abstract
We describe a new way to simulate the structure of vitreous silica. Using a n improved semi-empirical code, we simulate the condensation of SiO2 molecu les (typically 27 SiO2 molecules) into aggregates, stopping the computation at the first local total energy minimum. The structure of these aggregates appears to be very disordered with a distribution of coordination number, angle and bond length. It is representative of small particles obtained in any chemical vapour deposition process.