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Modelling of dissolved H in Ga stabilised δ-Pu

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posted on 30.11.2015 by Chris Scott, Steven Kenny, M.T. Storr, Andrew Willetts
The behaviour of hydrogen in Ga stabilised δ-Pu has been investigated using atomistic computer simulation techniques. We have considered only the solid solution of H in Pu-Ga. H diffusivity in the undamaged material was calculated and was shown to depend on the Ga concentration of the Pu-Ga alloy. Furthermore, localised regions of high Ga concentration within the material were shown to block H diffusion pathways. These are important findings and could allow for the possibility to control H diffusion if it were possible to control the Ga configuration within the system. The interaction of H with simple point defects was also investigated and suggests that H will behave differently in cascade damaged systems compared to undamaged systems. Vacancies were observed to trap any H interstitials that enter their vicinity, while the likelihood of dissociation was very low, effectively reducing the H diffusion coefficient to zero. On the other hand, binding energy calculations show that it is energetically unfavourable for a H interstitial to be close to a Pu interstitial. No long range interaction between H and the single point defects was observed. Crown Copyright © 2013 Published by Elsevier B.V. All rights reserved.

History

School

  • Aeronautical, Automotive, Chemical and Materials Engineering

Department

  • Materials

Published in

Journal of Nuclear Materials

Volume

442

Issue

1-3

Pages

83 - 89

Citation

SCOTT, C. ...et al., 2013. Modelling of dissolved H in Ga stabilised δ-Pu. Journal of Nuclear Materials, 442(1-3), pp. 83-89.

Publisher

© Elsevier

Version

AM (Accepted Manuscript)

Publisher statement

This work is made available according to the conditions of the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0) licence. Full details of this licence are available at: https://creativecommons.org/licenses/by-nc-nd/4.0/

Publication date

2013

Notes

This paper was accepted for publication in the journal Journal of Nuclear Materials and the definitive published version is available at http://dx.doi.org/10.1016/j.jnucmat.2013.08.035

ISSN

0022-3115

Language

en

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