Molecular dynamics simulation of sodium germanate glasses and the germanate anomaly

Kyoko Watanabe, Toshihiko Sakai*

*Corresponding author for this work

Research output: Contribution to JournalArticleAcademicpeer-review

Abstract

Molecular dynamics (MD) calculations for sodium germanate glasses were carried out using a simple two-body interaction potential model to investigate structural changes and the germanate anomaly. The simulation results, including changes in the density, coordination number of Ge atoms around an O atom and average bond length between O and Ge atoms with increasing alkali content, show good agreement with experimental results. These results indicate that MD simulation for sodium germanate glasses using a simple two-body interaction model can reproduce the structures of sodium germanate glasses.

Original languageEnglish
Pages (from-to)15-20
Number of pages6
JournalPhysics and Chemistry of Glasses: European Journal of Glass Science and Technology Part B
Volume58
Issue number1
DOIs
Publication statusPublished - 1 Feb 2017

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