Structure simulation of silica glasses: approach to CVD
| Autor: | Bertrand Poumellec, V Khavryutchenko, J Garapon |
|---|---|
| Rok vydání: | 2001 |
| Předmět: |
Materials science
Silica glass Computation Coordination number Condensation Structure (category theory) Chemical vapor deposition Condensed Matter Physics Condensed Matter::Disordered Systems and Neural Networks Computer Science Applications Bond length Crystallography Mechanics of Materials Chemical physics Modeling and Simulation Molecule General Materials Science |
| Zdroj: | Modelling and Simulation in Materials Science and Engineering. 9:465-483 |
| ISSN: | 1361-651X 0965-0393 |
| DOI: | 10.1088/0965-0393/9/6/301 |
| Popis: | We describe a new way to simulate the structure of vitreous silica. Using an improved semi-empirical code, we simulate the condensation of SiO2 molecules (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. |
| Databáze: | OpenAIRE |
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