| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1568731 | Journal of Nuclear Materials | 2009 | 4 Pages |
Abstract
The diffusion properties of He and Xe in UO2 have been investigated, using density-functional calculations employing the projector–augmented–wave (PAW) method and the generalized gradient approximation (GGA). The migration energies corresponding to both interstitial and vacancy-assisted mechanisms have been calculated and the results for the two noble gas atoms are compared with each other. We suggest that He likely diffuses by hopping through a single vacancy with computed low migration energies smaller than 0.79 eV and its diffusivity is much higher than that of Xe. Xe has a quite large migration energy compared to He; the strain energy plays a key role in Xe diffusion in UO2.
Related Topics
Physical Sciences and Engineering
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Nuclear Energy and Engineering
Authors
Younsuk Yun, Olle Eriksson, Peter M. Oppeneer, Hanchul Kim, Kwangheon Park,