A Study of Mixed Alkali Effect of Na<sub>2</sub>O-K<sub>2</sub>O-SiO<sub>2</sub> Glasses by Molecular Dynamics Simulation

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  • YAMAMOTO Yuya
    Graduate School of Engineering, Muroran Institute of Technology
  • SAWAGUCHI Naoya
    Graduate School of Engineering, Muroran Institute of Technology 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

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Other Title
  • Na<sub>2</sub>O-K<sub>2</sub>O-SiO<sub>2</sub> 系ガラスにおける混合アルカリ効果の考察

Abstract

<p>The mechanism of the mixed alkali effect of 0.25{xK2O-(1−x) Na2O}-0.75SiO2 glasses was studied by using the molecular dynamics (MD) simulation. MD simulations of this work reproduced the mixed alkali effect. In addition, the tendency of molar volume with temperature change by this work was reproduced in the experimental tendency. The mixing of alkali was independent to the network structure of Si and O. The free volume in the glass systems indicated that high condensed packing occurred by alkali mixing. The results of 39K133KSi3O7 glass showed that the mass difference from one alkali metal ion decreased the diffusion of the other alkali metal ion. The mixed alkali effect was considered to relate to both the size- and the mass-differences of the coexisting alkali metal ions.</p>

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