| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5478234 | Progress in Nuclear Energy | 2017 | 7 Pages |
Abstract
Uranium L3-edge X-ray absorption spectroscopy was used to study the atomic structure of uranium dioxide (UO2). The extended X-ray absorption fine structure (EXAFS) was interpreted within the ab initio multiple-scattering approach combined with classical molecular dynamics to account for thermal disorder effects. Nine force-field models were validated, and the role of multiple-scattering contributions was evaluated.
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Authors
Dmitry Bocharov, Melanie Chollet, Matthias Krack, Johannes Bertsch, Daniel Grolimund, Matthias Martin, Alexei Kuzmin, Juris Purans, Eugene Kotomin,