Effect of fission Xe on diffusion of oxygen and uranium in UO2: a molecular dynamics study

We have investigated the effect of fission Xe on diffusion of oxygen and uranium in UO 2 . Survey of trapping and solution of Xe have been presented. Incorporation and solution energies of Xe for various solution sites have been calculated by Mott–Littleton approach. Results suggest that the most st...

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Bibliographic Details
Published in:Indian journal of physics 2014-11, Vol.88 (11), p.1183-1189
Main Authors: Deng, B. L., Tian, X. F., Zhai, J., Hu, Y. F.
Format: Article
Language:English
Subjects:
Astrophysics and Astroparticles
Diffusion
Molecules
Nuclear fission
Original Paper
Physics
Physics and Astronomy
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Summary:We have investigated the effect of fission Xe on diffusion of oxygen and uranium in UO 2 . Survey of trapping and solution of Xe have been presented. Incorporation and solution energies of Xe for various solution sites have been calculated by Mott–Littleton approach. Results suggest that the most stable trapping site for Xe depends on stoichiometry regions. The effect on diffusion of oxygen and uranium introduced by Xe has been estimated by classical molecular dynamics simulations. It is found that Xe atoms in any trapping site raise the values of oxygen diffusion coefficients and depress activation energies. Besides, the effect introduced by Xe decreases with an increase in trapping site size.
ISSN:0973-1458
0974-9845
DOI:10.1007/s12648-014-0573-8