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Title: UO2 oxidative corrosion by non-classical diffusion

Using x-ray scattering, spectroscopy, and computational methods, we show that oxidation of the UO2 (111) surface results in a self-organized arrangement of oxygen interstitials with three-layer periodicity, producing a nanoscale oscillatory oxidation front with uranium in three oxidation states: IV, V, and VI. This complex diffusion profile is driven by the transfer of the lowest energy U5f electrons from multiple U atoms into the O2p band. Our results contrast with all previous bulk structural oxidation models and the simple exponential oxidation front expected from classical diffusion.
Authors:
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Publication Date:
OSTI Identifier:
1203894
Report Number(s):
PNNL-SA-108810
48555; KC0302060
DOE Contract Number:
AC05-76RL01830
Resource Type:
Journal Article
Resource Relation:
Journal Name: Physical Review Letters, 114(24):246103
Research Org:
Pacific Northwest National Laboratory (PNNL), Richland, WA (US), Environmental Molecular Sciences Laboratory (EMSL)
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
Subject:
Environmental Molecular Sciences Laboratory