Molecular dynamic simulation of EuT -doped sodium borate glasses and their fluorescence spectra
A molecular dynamic simulation was performed for sodium borate glasses containing a small amount of Eu2O3 to investigate the local structures of cations in glass. A new potential V /SUB B-B/ in the form -A exp (-C(r - 0.239)S) was added to the regular modified Born-Mayer-Huggins-type potentials, /PHI/ /SUB B-B/ , /PHI/ /SUB B-O/ , and /PHI/ /SUB O-O/ , to account for the directional tendency of the borate network structure. With this potential added, both the radial distribution of sodium borate glasses observed by smallangle X-ray diffraction and the change in coordination number of boron with sodium content obtained by NMR agreed well with the simulation. The average coordination number of EuT ions in the simulated glasses varied from 7.5 to 8.6, depending on the composition of the host sodium borate glasses. The inhomogeneous line width of the VD0-XF2 emission peak also changed, depending on the sodium content, with a maximum at 18 mol % Na2O content; this result agrees well with experimental data obtained from laser-induced fluorescence spectra.
- Research Organization:
- Department of Industrial Chemistry, Faculty of Engineering, Kyoto University, Sakyo-ku, Kyoto
- OSTI ID:
- 6345467
- Journal Information:
- J. Am. Ceram. Soc.; (United States), Vol. 68:10
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
BORATES
ION IMPLANTATION
EUROPIUM COMPOUNDS
METALLURGICAL EFFECTS
SODIUM COMPOUNDS
CATIONS
CRYSTAL DOPING
EMISSION SPECTRA
EUROPIUM OXIDES
FLUORESCENCE SPECTROSCOPY
GLASS
LASER RADIATION
MATHEMATICAL MODELS
MOLECULAR STRUCTURE
NUCLEAR MAGNETIC RESONANCE
SODIUM OXIDES
X-RAY DIFFRACTION
ALKALI METAL COMPOUNDS
BORON COMPOUNDS
CHALCOGENIDES
CHARGED PARTICLES
COHERENT SCATTERING
DIFFRACTION
ELECTROMAGNETIC RADIATION
EMISSION SPECTROSCOPY
IONS
MAGNETIC RESONANCE
OXIDES
OXYGEN COMPOUNDS
RADIATIONS
RARE EARTH COMPOUNDS
RESONANCE
SCATTERING
SPECTRA
SPECTROSCOPY
360603* - Materials- Properties