- Tytuł:
- A molecular dynamics study of the influence of chemical reduction on the structure of amorphous Germania
- Autorzy:
-
Witkowska, A.
Murawski, L.
Bergmański, G. - Powiązania:
- https://bibliotekanauki.pl/articles/1963001.pdf
- Data publikacji:
- 2002
- Wydawca:
- Politechnika Gdańska
- Tematy:
-
oxide glasses
hydrogen reduction
molecular dynamics
structural modelling - Opis:
- The contribution is dedicated to the molecular dynamics (MD) study of the structure of reduced germania glass of composition 1Ge 1GeO2. The work is inspired by a recent report on the formation of Ge clusters in hydrogen reduced germanate glasses containing oxides of heavy metals. The MD simulations have been performed in the microcanonical (NVE) ensemble, using a simple two-body Born-Mayer-Huggins interaction potential. A tendency of germanium atoms to agglomeration into clusters, observed in the present calculations, is compared with an analogous tendency of Bi and Pb atoms, observed previously in the xBi (1-x)GeO2 and xPb (1-x)GeO2 systems. The differences in the short and medium-range order in GeO2 system between the 1Ge 1GeO2 and GeO2 glasses are discussed.
- Źródło:
-
TASK Quarterly. Scientific Bulletin of Academic Computer Centre in Gdansk; 2002, 6, 2; 273-281
1428-6394 - Pojawia się w:
- TASK Quarterly. Scientific Bulletin of Academic Computer Centre in Gdansk
- Dostawca treści:
- Biblioteka Nauki
Artykuł