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Modelling the effect of hydrogen on crack growth in zirconium

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journal contribution
posted on 20.06.2019, 14:19 by Adam L. Lloyd, Roger SmithRoger Smith, Mark J. Wootton, John Andrews, John Arul, Hari Prasad Muruva, Gopika Vinod
Via molecular dynamics simulations, the effects of hydrogen on stress evolution of -zirconium and crack propagation in monocrystalline and multiple grained zirconium systems are investigated. Diffusion barriers are shown to reduce when strain is applied, which then causes hydrogen to accumulate at surfaces and grain boundaries. Crack growth is considered for a range of -zirconium systems, both with and without hydrogen, strained in multiple directions. The effects of crystal orientation are shown to be of high influence on the stress evolution of -zirconium irrespective of hydrogen content. Crack growth velocity is increased the most by hydrogen for -zirconium when uniaxial strain is applied in the [0 0 0 1] direction. Simulations are conducted investigating the effects of single grain boundaries in normal and parallel orientations to crack growth showing a high importance on the location of interstitial hydrogen in crack growth behaviour. In addition, larger scale simulations show the effects of multiple grain boundaries and hydrogen content in the evolution of cracks.

Funding

EPSRC (Grant No. EP/K000055/1 and EP/M018210/1).

History

School

  • Science

Department

  • Mathematical Sciences

Published in

Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms

Volume

455

Pages

13-20

Citation

LLOYD, A.L. ... et al, 2019. Modelling the effect of hydrogen on crack growth in zirconium. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 455, pp.13-20.

Publisher

Elsevier © The Authors

Version

VoR (Version of Record)

Publisher statement

This work is made available according to the conditions of the Creative Commons Attribution 4.0 International (CC BY 4.0) licence. Full details of this licence are available at: http://creativecommons.org/licenses/ by/4.0/

Acceptance date

12/06/2019

Publication date

2019-06-18

Copyright date

2019

Notes

This is an Open Access article. It is published by Elsevier under the Creative Commons Attribution 4.0 International Licence (CC BY). Full details of this licence ate available at: http://creativecommons.org/licenses/by/4.0/

ISSN

0168-583X

Language

en