Oxidation of uranium and plutonium mononitride and monocarbide briquettes

Novoselov, G. P.; Kushnikov, V. V.; Baronov, V. A.; Serebryakov, V. P.; Stepennova, N. M.

doi:10.1007/bf01122088

Cited by 6 publications

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“…However, oxygen impurities always presented in UN lead to its unwanted pollution and further degradation in air. A number of experiments were performed, in order to understand an influence of oxygen on UN properties and other actinide compounds [4][5][6]. Various experimental analyses clearly manifested that oxygen contact with the actinide nitride surfaces can result in growth of the oxide [4,5] and, at initial stages, leads to the formation of oxynitrides [6].…”

Section: Introductionmentioning

confidence: 99%

“…A number of experiments were performed, in order to understand an influence of oxygen on UN properties and other actinide compounds [4][5][6]. Various experimental analyses clearly manifested that oxygen contact with the actinide nitride surfaces can result in growth of the oxide [4,5] and, at initial stages, leads to the formation of oxynitrides [6]. The oxynitrides of varying structure (UO x N y ) can be formed in the reactions of uranium metal with NO 2 [7] or by direct current sputtering upon U target in an Ar atmosphere containing admixture of O 2 and N 2 [8].…”

Section: Introductionmentioning

confidence: 99%

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Ab initio modeling of oxygen impurity atom incorporation into uranium mononitride surface and sub-surface vacancies

Bocharov¹,

Gryaznov²,

Zhukovskii³

et al. 2011

Journal of Nuclear Materials

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The incorporation of oxygen atoms has been simulated into either nitrogen or uranium vacancy at the UN(001) surface, sub-surface or central layers. For calculations on the corresponding slab models both the relativistic pseudopotentials and the method of projector augmented-waves (PAW) as implemented in the VASP computer code have been used. The energies of O atom incorporation and solution within the defective UN surface have been calculated and discussed. For different configurations of oxygen ions at vacancies within the UN(001) slab, the calculated density of states and electronic charge re-distribution was analyzed. Considerable energetic preference of O atom incorporation into the N-vacancy as compared to U-vacancy indicates that the observed oxidation of UN is determined mainly by the interaction of oxygen atoms with the surface and sub-surface N vacancies resulting in their capture by the vacancies and formation of O-U bonds with the nearest uranium atoms.

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