A Study of Mixed Alkali Effect of Na2O-K2O-SiO2 Glasses by Molecular Dynamics Simulation

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 reproduce...

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Veröffentlicht in:	Journal of Computer Chemistry, Japan Japan, 2017, Vol.16(4), pp.98-101
Hauptverfasser:	YAMAMOTO, Yuya, SAWAGUCHI, Naoya, SASAKI, Makoto
Format:	Artikel
Sprache:	jpn
Schlagworte:	Mechanism Mixed alkali effect Molecular dynamics simulation Self-diffusion Silicate glass
Online-Zugang:	Volltext
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