Molecular Dynamics Study of Li2O-SiO2 Melts and Glasses

Norimasa UMESAKI; Nobuya IWAMOTO; Masanari TAKAHASHI; Masahiro TATSUMISAGO; Tsutomu MINAMI; Yoshihito MATSUI

doi:10.2355/isijinternational1966.28.852

Molecular Dynamics Study of Li₂O-SiO₂ Melts and Glasses

Norimasa UMESAKI, Nobuya IWAMOTO, Masanari TAKAHASHI, Masahiro TATSUMISAGO, Tsutomu MINAMI, Yoshihito MATSUI

Author information

Keywords: molecular dynamics (MD) simulation, Li₂O-SiO₂, Li₄SiO₄, structure; glass, melt, X-ray diffraction, Raman spectroscopy

JOURNAL FREE ACCESS

1988 Volume 28 Issue 10 Pages 852-859

DOI https://doi.org/10.2355/isijinternational1966.28.852

Details

Abstract

A molecular dynamics study has been carried out of Li₄SiO₄ melt and glass. The computer-generated structures of Li₄SiO₄ melt and glass seemed to be realistic in comparison with our Raman and X-ray diffraction data. The simulated correlation functions were in satisfactory agreement with the one obtained from the X-ray diffraction analysis. Furthermore, the results obtained indicated that the Li₄SiO₄ glass consisted of a few kind of isolated silicate units.

Corresponding author

Register with J-STAGE for free!