Modification of UO2 crystal morphologies through hydroxylation
2001; Elsevier BV; Volume: 490; Issue: 3 Linguagem: Inglês
10.1016/s0039-6028(01)01368-1
ISSN1879-2758
AutoresM Abramowski, S. E. Redfern, Robin W. Grimes, Scott L. Owens,
Tópico(s)Nuclear materials and radiation effects
ResumoAtomic 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 the {111} surfaces. Consequently, even a modest hydroxylation of 30% substantially truncates the octahedron crystal morphology, and a fully cubic morphology is predicted at 80% hydroxide coverage.
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