Pulsed neutron diffraction studies of RO.xB2O3 glasses: R=Ca, Sr and Ba; x=2, 3 and 4

Y. Suzuki, N. Ohtori, K. Takase, K. Handa, K. Itoh, T. Fukunaga, N. Umesaki

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Abstract

Pulsed neutron diffraction experiments were performed on SrO.xB 2O3 (x=2, 3 and 4) and Na2O.xB 2O3 (x=7/3, 4 and 9) glasses. With the help of molecular dynamics (MD) simulation using simple isotropic pair potentials, the cation dependence of the short range structure is discussed in order to investigate the role of metal oxides. Previous results for calcium and barium borate glasses have also been modified using improved analytical methods. For alkaline earth oxides, the fraction of B atoms coordinated by four nearest neighbour O atoms shows that the number of four coordinated B atoms in the alkaline earth borate glasses increases with increasing cation size, whereas that in alkali borate glasses decreases with increasing cation size. On the other hand, there are only small differences between sodium and alkaline earth borate glasses in the cation dependence of the other parameters such as the peak position and asymmetry of the BO correlation. Results from neutron diffraction experiments are in good agreement with those from MD calculations.

Original languageEnglish
Pages (from-to)150-154
Number of pages5
JournalPhysics and Chemistry of Glasses
Volume44
Issue number2
Publication statusPublished - Apr 1 2003
Externally publishedYes

ASJC Scopus subject areas

  • Ceramics and Composites
  • Physical and Theoretical Chemistry

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    Suzuki, Y., Ohtori, N., Takase, K., Handa, K., Itoh, K., Fukunaga, T., & Umesaki, N. (2003). Pulsed neutron diffraction studies of RO.xB2O3 glasses: R=Ca, Sr and Ba; x=2, 3 and 4. Physics and Chemistry of Glasses, 44(2), 150-154.