Fast Anion Defect Recovery through Superionic-Type Hopping Displacements in UO₂ Following Radiation

Abstract:

UO₂ transforms into a superionic conductor at temperatures in excess of 2000 K with oxygen ions becoming mobile and exhibiting collective diffusive dynamics. While the response of UO₂ to irradiation is of current interest, the possible impact of superionic characteristics on defect dynamics and recovery following radiation has not been explored yet. In the current work, we use atomistic simulations to elucidate the short-time dynamical response of stoichiometric UO₂ subjected to low energy radiation knocks. We observe that the oxygen ions exhibit a collective behavior that is characterized by frequent hopping across their native lattice sites and forming quasi-one-dimensional string-like structures, which are typical of the superionic state. Approximately, a quarter of the displaced oxygen ions dynamically recover through concerted string-like displacements. Our simulations thus suggest a plausible correlation between defect recovery of irradiated UO₂ and the characteristic superionic hopping mechanism among the oxygen ions.

• Periodical: Defect and Diffusion Forum (Volume 375)
• Pages: 43-56
• DOI: https://doi.org/10.4028/www.scientific.net/DDF.375.43
• Online since: May 2017
• Authors: Ajay Annamareddy, Jacob Eapen*
• Keywords: Amorphization, Defect Recovery, Displacement Cascades, Superionic, Uranium Dioxide

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