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Fundamental Aspects of Inert Gases in Solids pp 415–429Cite as

Simulating the Behaviour of Inert Gases in UO2

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Part of the book series: NATO ASI Series ((NSSB,volume 279))

Abstract

The behaviour of He, Ne, Ar, Kr and Xe in UO2 has been investigated using the semi-classical Mott-Littleton simulation technique. The interactions of the gas atoms with the lattice show two extremes of behaviour characterised by the properties of Xe and He. Xenon is very insoluble—its retention in U02 is a consequence of the large activation energy necessary for diffusion (>3eV). The most stable solution site for Xe is a function of stoichiometry: in UO2-x, the solution energy is lowest at a tri-vacancy; in UO2, at a di-vacancy and in UO2+x, at a uranium vacancy. In comparison with xenon, helium is small and readily accommodated at either a defect or interstitial site (solution energy -0.1 eV). Despite this, in the perfect lattice, He exhibits a barrier of ~4eV to diffusion between interstitial sites. However, in the presence of defects, diffusion barriers are reduced to ~0.2eV. These results are discussed with respect to the range of vacancy and vacancy clusters (solution sites) of the type expected in a highly defective or radiation damaged material.

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Authors and Affiliations

  1. Davy Faraday Research Laboratory, The Royal Institution of Great Britain, 21 Albemarle Street, London, W1X 4BS, UK

    R. W. Grimes

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  1. R. W. Grimes
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Editor information

Editors and Affiliations

  1. The University of Salford, Salford, UK

    S. E. Donnelly

  2. AEA Technology, Harwell, UK

    J. H. Evans

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Grimes, R.W. (1991). Simulating the Behaviour of Inert Gases in UO2 . In: Donnelly, S.E., Evans, J.H. (eds) Fundamental Aspects of Inert Gases in Solids. NATO ASI Series, vol 279. Springer, Boston, MA. https://doi.org/10.1007/978-1-4899-3680-6_36

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  • DOI: https://doi.org/10.1007/978-1-4899-3680-6_36

  • Publisher Name: Springer, Boston, MA

  • Print ISBN: 978-1-4899-3682-0

  • Online ISBN: 978-1-4899-3680-6

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