Pipe diffusion at dislocations in UO sub(2)

We present the results of a combination of static and dynamic simulations employing empirical potentials, investigating the structures of dislocations in UO sub(2) and show how the dislocation core structure influences the rate of O super(2) and U super(4+) diffusion along the dislocation (i.e. pipe...

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Veröffentlicht in:Journal of nuclear materials 2014-04, Vol.447 (1-3), p.143-149
Hauptverfasser: Murphy, Samuel T, Jay, Eleanor E, Grimes, Robin W
Format: Artikel
Sprache:eng
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Zusammenfassung:We present the results of a combination of static and dynamic simulations employing empirical potentials, investigating the structures of dislocations in UO sub(2) and show how the dislocation core structure influences the rate of O super(2) and U super(4+) diffusion along the dislocation (i.e. pipe diffusion). In the region immediately surrounding the dislocations there is a significant reduction in the activation energies and diffusion coefficients for O super(2) and U super(4+) diffusion, however only out to a cylindrical radius of approximately 20 A from the dislocation centre. The contribution of pipe diffusion to the overall O super(2) and U super(4+) diffusion is also discussed.
ISSN:0022-3115
DOI:10.1016/j.jnucmat.2013.12.029