| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1568099 | Journal of Nuclear Materials | 2009 | 8 Pages |
Abstract
Formation and stability of different types of clusters in hyperstoichiometric UO2+x, including Willis's 2:2:2 interstitial dimers as well as cuboctahedral tetra- and pentamers are investigated under static and dynamic conditions based on a partly-ionic model. A 'Free Hopping Approximation' for small polarons is proposed and implemented in a molecular dynamic simulation computer code. Lattice parameter and other equilibrium properties of UO2+x are calculated and compared with existing experimental data in a wide range of temperature and stoichiometry.
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Authors
E. Yakub, C. Ronchi, D. Staicu,