Modification of UO2 crystal morphologies through hydroxylation

Atomic scale computer simulation is used to predict the surface energies Of UO2, subject to different hydroxide coverages. It was found that the {111} surface dominates dry UO2, resulting in an octahedral morphology. However, the {100} surfaces were strongly stabilized by hydroxylation relative to t he {111} surfaces. Consequently, even a modest hydroxylation of 30% substan tially truncates the octahedron crystal morphology, and a fully cubic morph ology is predicted at 80% hydroxide coverage. (C) 2001 Elsevier Science B.V . All rights reserved.