Effects of Content of Network-Modifying Ion and Network Structure of Sodium Silicate Glasses by Molecular Dynamics Simulation

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  • YAMAMOTO Yuya
    Graduate School of Engineering, Muroran Institute of Technology 27-1 Mizumoto, Muroran, Hokkaido 050-8585, Japan
  • SAWAGUCHI Naoya
    Graduate School of Engineering, Muroran Institute of Technology 27-1 Mizumoto, Muroran, Hokkaido 050-8585, Japan Research Center for Environmentally Friendly Materials Engineering, Muroran Institute of Technology 27-1 Mizumoto, Muroran, Hokkaido 050-8585, Japan
  • SASAKI Makoto
    Graduate School of Engineering, Muroran Institute of Technology 27-1 Mizumoto, Muroran, Hokkaido 050-8585, Japan Research Center for Environmentally Friendly Materials Engineering, Muroran Institute of Technology 27-1 Mizumoto, Muroran, Hokkaido 050-8585, Japan

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  • 分子動力学法を用いたナトリウムケイ酸塩ガラスの修飾イオンとネットワーク構造の関係

Abstract

Network structure of sodium silicate glasses was investigated by molecular dynamics simulation. The simulations were performed that determined using the first-principles calculation. Variation of SiO4 units and bond angles for alkali content were consistent with experimental results. It was also suggested that sodium ion and calcium ion give different effect to glass structure each other.

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