Molecular dynamics investigation of Na2O-B2O3 glasses. A comparison with X-ray diffraction studies

Qiang Xu, Katsuyuki Kawamura, Toshio Yokokawa

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Abstract

The structures of boron oxide and sodium borate glasses simulated by a molecular dynamics (MD) method were analyzed in comparison with X-ray diffraction data. There is good agreement between the MD-calculated and observed s·i (s) and g (r) (PCF) curves for 0.25 Na2O·0.75 B2O3 and 0.33 Na2O·0.67 B2O3 glasses. It suggests that the structures satisfy the random network model. On the other hand, the MD-calculated g (r) curve for B2O3 glass agrees with that of a B2O3 melt rather than that of glass.

Original languageEnglish
Pages (from-to)1416-1419
Number of pages4
JournalNippon Seramikkusu Kyokai Gakujutsu Ronbunshi/Journal of the Ceramic Society of Japan
Volume97
Issue number11
Publication statusPublished - Dec 1 1989

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ASJC Scopus subject areas

  • Ceramics and Composites
  • Chemistry(all)
  • Condensed Matter Physics
  • Materials Chemistry

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