Theoretical study of xenon adsorption on UO 2 surfaces
Abstract
During in-pile operation, fission gases such as xenon are produced and precipitates in nuclear fuel as nano-bubbles, modifying the thermomechanical properties of UO 2 fuel matrix. This work aims at precising the nature and the scope of the xenon-UO 2 matrix interaction. To this end, we present a theoretical study of xenon adsorption on UO 2 surfaces, based on Monte Carlo simulation and semi-empirical interatomic potential. We determine xenon adsorption isotherms on previously relaxed (111) and (100) UO 2 surfaces, and we compare them to the incorporation ones inside an empty box in order to isolate interface effects. A specific attention is given to the microstructure of xenon in these systems. Finally, an analysis of the mechanical properties (pressure and stress profiles near by the surface) is achieved in order to investigate the sensitivity to surface orientation and to get pertinent quantities that will supply micromechanical models at higher scale.
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