DPG Phi
Verhandlungen
Verhandlungen
DPG

Münster 1997 – scientific programme

Parts | Days | Selection | Search | Downloads | Help

SY: Von der Flüssigkeit zum Glas

SY 3: Von der Flüssigkeit zum Glas III

SY 3.15: Poster

Thursday, March 20, 1997, 15:00–19:00, Aula

Molecular Modeling of Amorphous SiO2 — •S. Wefing — Institut für Algorithmen und Wissenschaftliches Rechnen, GMD-Forschungszentrum für Informationstechnik, D-53754 St. Augustin

An algorithm is presented which constructs continuous random network models of amorphous SiO2. Using topological and geometrical data as input, the algorithm generates spherical clusters which contain unsaturated atoms only on their surfaces. This approach is related to previous work by Gladden [1]. Run times on a workstation are of the order of hours for a cluster with 2000 atoms. Models of SiO2 have thus been obtained for various sets of input parameters. Some of their physical properties like the density, the radial distribution function, etc., have been calculated and are compared with experimental data.

[1] L. F. Gladden, J. Non-Cryst. Solids 119, 318 (1990).

100% | Mobile Layout | Deutsche Version | Contact/Imprint/Privacy
DPG-Physik > DPG-Verhandlungen > 1997 > Münster