Journal
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
Volume 94, Issue 6, Pages 1893-1900Publisher
WILEY-BLACKWELL
DOI: 10.1111/j.1551-2916.2010.04295.x
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Funding
- Nuclear Energy Advanced Modeling and Simulation (NEAMS) program
- Seaborg Institute at Los Alamos National Laboratory
- National Nuclear Security Administration of the U.S. Department of Energy [DE-AC52-06NA25396]
- Department of Energy [DE-AC52-06NA25396]
- Los Alamos National Laboratory [DE-NE0000134 001]
- Office of Nuclear Energy
- [DMR-0426870]
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The distribution and atomic structure of grain boundaries has been investigated in UO(2). Our scanning electron microscopic/electron backscatter diffraction experiments on a depleted UO(2) sample showed real nuclear fuels contain a combination of special coincident site lattice (CSL) and general boundaries. The experimental data indicated that similar to 16% of the boundaries were CSL boundaries and the CSL distribution was dominated by low Sigma boundaries; namely Sigma 9, Sigma 3, and Sigma 5 Based on our experimental observations, the structures of select low Sigma (Sigma 5 tilt, Sigma 5 twist, Sigma 3 tilt) and a random boundary were analyzed in greater detail using empirical potential atomic-scale calculations. Our calculations indicate that the boundaries have very different structures and each CSL boundary had multiple minima on the gamma-surface. The presence of a significant fraction of CSL boundaries and the differences in their structures are expected to have important consequences on fuel properties.
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