Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1566660 | Journal of Nuclear Materials | 2011 | 5 Pages |
Abstract
Pathways to prediction of phase equilibria in He-U-O system at high temperatures based on the single- and two-box molecular dynamics (MD) technique are discussed. Single-box MD simulation of He gas bubble in uranium dioxide has been carried out, helium gas infusion processes studied and its limited efficiency illustrated. More efficient two-box MD simulation technique was applied to study of helium dissolution in stoichiometric UO2 and non-stoichiometric UO2±x single-crystals. Equilibrium solubility of helium in UO2 and UO2±x estimated and compared with experimental data. The deviations from Henry's law at high pressures of helium are discussed.
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Authors
E. Yakub,