Structure of molten yttrium aluminates: a neutron diffraction study

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.

Full text not available from this repository.
Official URL: http://iopscience.iop.org/article/10.1088/0953-898...
Link to published version:: https://doi.org/10.1088/0953-8984/19/41/415105

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.

Item Type: Article
Additional Information: International Workshop on Current Challenges in Liquid and Glass Science, Abingdon, ENGLAND, JAN 10-12, 2007
Research Institute, Centre or Group: Materials and Engineering Research Institute > Engineering Research
Departments: Faculty of Science, Technology and Arts > Engineering and Mathematics
Identification Number: https://doi.org/10.1088/0953-8984/19/41/415105
Depositing User: Martin Wilding
Date Deposited: 04 Jul 2018 09:35
Last Modified: 04 Jul 2018 09:35
URI: http://shura.shu.ac.uk/id/eprint/21501

Actions (login required)

View Item View Item

Downloads

Downloads per month over past year

View more statistics