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1 Computational Methods in Science and Technology

1 2004

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Molecular dynamics study of short and medium range order in modified BGO glasses

Walentynowicz A., Witkowska A., Białoskórski M., Rybicki J., Feliziani S., Frigio S., Cosimi G.

Computational Methods in Science and Technology

2004

Vol. 10, nr 2

203-218

In the paper we present our recent Molecular Dynamics (MD) simulations of the structure of bismuth-germanate (BGO) glasses of x[pBi2 (1-p)Bi2O3](1-x)GeO2 composition, where x denotes the content of the bismuth oxide in unmodified glasses, and p - the fraction of neutral bismuth that can appear in the surface modification process (e.g, annealing in hydrogen atmosphere). We consider glasses of compositions x = 0.1, 0.2, 0.3 and reduction degrees = O, 0.25, 0.5, 0.75, 1. The simulation results are analysed in detail and compared with the structural data provided by other authors.