The aim of this work is to study size effects of the Ag ionic radius on the molecular dynamics simulation of Ag2O−B2O3 ionic glasses. The results obtained by using the Ag radius σAg=0.63 Å are presented and compared with those derived in a previous work by using σAg=1.1. Å. The glassy network is quite well reproduced by both the radii. The main differences which arise by using a smaller silver radius are: (a) a higher degree of distortion, which characterize the structural units building the glassy network; (b) a clustering effect of the silver ions.

Size effects of Ag+ ion in the computer simulation of Ag2O-B2O3 glasses

ABRAMO, Maria Concetta;CARINI, Giuseppe;PIZZIMENTI, Giovanni
1988-01-01

Abstract

The aim of this work is to study size effects of the Ag ionic radius on the molecular dynamics simulation of Ag2O−B2O3 ionic glasses. The results obtained by using the Ag radius σAg=0.63 Å are presented and compared with those derived in a previous work by using σAg=1.1. Å. The glassy network is quite well reproduced by both the radii. The main differences which arise by using a smaller silver radius are: (a) a higher degree of distortion, which characterize the structural units building the glassy network; (b) a clustering effect of the silver ions.
1988
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11570/2070221
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