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Diffusion of oxygen in hypostoichiometric uranium dioxide nanocrystals. A molecular dynamics simulation

A molecular dynamic simulation of diffusion of intrinsic oxygen anions in the bulk of hypostoichiometric UO2-x nanocrystals with a free surface was carried out. The main diffusion mechanism turned out to be the migration of oxygen by the anionic vacancies. It is shown that in the range of values of...

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Váldodahkkit: K. A. Nekrasov, A. E. Galashev, D. D. Seitov, S. K. Gupta
Materiálatiipa: Artigo
Giella:Inglês
Almmustuhtton: Ural Federal University 2021-03-01
Ráidu:Chimica Techno Acta
Fáttát:
Liŋkkat:https://chimicatechnoacta.ru/article/view/4960
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