Diffusion in hypo-stoichiometric uranium mononitride

Li, Jade and Murphy, Samuel (2021) Diffusion in hypo-stoichiometric uranium mononitride. Progress in Nuclear Energy, 142. ISSN 0149-1970

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Abstract

Uranium nitride is a nuclear fuel of interest as it offers enhanced accident tolerance, owing to its intrinsic properties. Before UN can be deployed commercially it is essential to understand its properties and how they evolve during operation. Therefore, molecular dynamics has been employed to study the thermal expansion and diffusivity of the intrinsic species in UN and how these change with stoichiometry. The introduction of hypostoichiometry as either nitrogen antisites or nitrogen vacancy defects is predicted to lead to an increase in nitrogen diffusivity and a concomitant decrease in the activation energy. The activation energies predicted for nitrogen diffusion in hypostoichiometry samples containing antisite defects are shown to offer a very close agreement with experimental observations.

Item Type:
Journal Article
Journal or Publication Title:
Progress in Nuclear Energy
Additional Information:
This is the author’s version of a work that was accepted for publication in Progress in Nuclear Energy. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Progress in Nuclear Energy, 142, 2021 DOI: 10.1016/j.pnucene.2021.103995
Uncontrolled Keywords:
/dk/atira/pure/subjectarea/asjc/2200/2213
Subjects:
ID Code:
162221
Deposited By:
Deposited On:
12 Nov 2021 15:05
Refereed?:
Yes
Published?:
Published
Last Modified:
19 Nov 2021 12:05