Structure of molten yttrium aluminates: a neutron diffraction study

Tools

CRISTIGLIO, V., HENNET, L., CUELLO, G. J., POZDNYAKOVA, I., JOHNSON, M. R., FISCHER, H. E., ZANGHI, D., VAN, Q. Vu, WILDING, Martin, GREAVES, G. N. and PRICE, D. L. (2007). Structure of molten yttrium aluminates: a neutron diffraction study. Journal of Physics: Condensed Matter, 19 (41), p. 41505. [Article]

Abstract
More Information
Metrics
Share

[+][-]

Abstract

We used the aerodynamic levitation technique combined with CO2 laser heating to study the structure of liquid yttrium aluminates above their melting point with neutron diffraction. For various yttria contents, we determined the structure factors and corresponding pair correlation functions describing the short-range order in the liquids. In particular, we derived Al–O and Y–O bond distances and coordination numbers. Experimental data are compared with ab initio molecular dynamics, carried out using the VASP code where the interatomic forces are obtained from density functional theory. In particular, partial pair correlation functions have been calculated and are in relatively good agreement with the experimental observations.

More Information

Official URL:

http://iopscience.iop.org/article/10.1088/0953-898...

Additional Information:

International Workshop on Current Challenges in Liquid and Glass Science, Abingdon, ENGLAND, JAN 10-12, 2007

Research Institute, Centre or Group - Does NOT include content added after October 2018:

Materials and Engineering Research Institute > Engineering Research

Departments - Does NOT include content added after October 2018:

Faculty of Science, Technology and Arts > Department of Engineering and Mathematics

Page Range:

p. 41505

Identifiers