[Published online Journal of Computer Chemistry, Japan Vol.14, 181-183, by J-STAGE]
<Title:> 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
<Author(s):> 山本 優也, 澤口 直哉, 佐々木 眞
<Corresponding author E-Mill:> 14042074(at)mmm.muroran-it.ac.jp
<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.
<Keywords:> Molecular dynamics, Interatomic potential, Sodium silicate glasses, Si-O-Si bond angle, Network-modifying ion
<URL:> https://www.jstage.jst.go.jp/article/jccj/14/6/14_2015-0069/_article/-char/ja/
<Title:> 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
<Author(s):> 山本 優也, 澤口 直哉, 佐々木 眞
<Corresponding author E-Mill:> 14042074(at)mmm.muroran-it.ac.jp
<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.
<Keywords:> Molecular dynamics, Interatomic potential, Sodium silicate glasses, Si-O-Si bond angle, Network-modifying ion
<URL:> https://www.jstage.jst.go.jp/article/jccj/14/6/14_2015-0069/_article/-char/ja/
