Spent Fuel – Corrosion Modelling (SF-CORMOD). University of Antwerp
In this project we provide an atomistic description by means of quantum mechanical density functional theory calculations of the defects that occur during the corrosion of UO2 to U3O8. In particular we investigate the properties of the intermediate oxide U3O7, which is the main precursor to the formation of U3O8. We investigate the influence of external factors like water and grain boundaries on the oxidation of UO2. The formation mechanisms of ...