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Network Structure of Oxide Glasses Containing Alkali & Other Ions by Diffraction and MD Simulations

Published online by Cambridge University Press:  10 February 2011

Itaru Yasui ,
H. Nagasawa ,
H. Matsumoto  and
T. Mabuchi
Itaru Yasui
Affiliation:
Center for Collaborative Research, University of Tokyoyasui@iis.u-tokyo.ac.jp
H. Nagasawa
Affiliation:
Institute of Industrial Science, University of Tokyo
H. Matsumoto
Affiliation:
Faculty of Engineering, Nagoya University
T. Mabuchi
Affiliation:
Institute of Industrial Science, University of Tokyo
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Abstract

Network structures of several kinds of oxide glasses were analyzed by means of neutron or x-ray diffraction method and molecular dynamics (MD) simulations including silicate, borate and tellurite glasses. The basic scheme of the structure highly depends on the bonding nature of network forming oxide, but the size of the alkali ions is another important factor to control the network structure of the glass. Structures of silicate glasses are rather easily reproduced by means of MD simulation, whereas borate or tellurite glass structures are hard to be constructed by MD calculation with only 2-body potentials. It is necessary to use adequate potentials to control the bonding angles of O-M-O or M-O-M. The network structure of tellurite glass seems very complex because of the shape of structural units with low symmetry, the use of a new kind of potential was found indispensable to reproduce the glass structure by MD.

In addition to the network structure, the polarization of ions seems to be important to understand the whole vision of oxide glass structures. A new kind of MD was developed which took polarization of ions into account to understand the mixed alkali effects in silicate glasses.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 455: Symposium T – Glasses and Glass Formers–Current Issues , 1996 , 357
Copyright
Copyright © Materials Research Society 1997

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