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Wigner defects bridge the graphite gap

Nature Materials volume 2, pages 333–337 (2003)Cite this article

Abstract

We present findings on the structure, energies and behaviour of defects in irradiated graphitic carbon materials. Defect production due to high-energy nuclear radiations experienced in graphite moderators is generally associated with undesirable changes in internal energy, microstructure and physical properties—the so-called Wigner effect. On the flip side, the controlled introduction and ability to handle such defects in the electron beam is considered a desirable way to engineer the properties of carbon nanostructures. In both cases, the atomic-level details of structure and interaction are only just beginning to be understood. Here, using a model system of crystalline graphite, we show from first-principles calculations, new details in the behaviour of vacancy and interstitial defects. We identify a prominent barrier-state to energy release, reveal a surprising ability of vacancy defects to bridge the widely spaced atomic layers, and discuss physical property and microstructure changes during irradiation, including interactions with dislocations.

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Figure 1: The zoo of close-proximity vacancies in adjacent layers in unsheared AB-stacked graphite.
Figure 2: The V21(ββ) and V22(ββ) interplanar divacancies.
Figure 3: The core atoms surrounding the fourfold coordinated 'spiro' interstitial, expected to exist within the core of basal dislocations.
Figure 4: Schematic of stacking fault in graphite, showing relative shifts between layers and the corresponding perfect fault energy.
Figure 5: Plan view of the intimate Frenkel pair defect.

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Acknowledgements

This work was conducted as part of the Energy Supply Research for the 21st Century scheme with support from the UK Engineering and Physical Sciences Research Council and British Nuclear Fuels. A. J. Wickham is thanked for helpful discussions during this work together with the Sussex High Performance Computing Initiative for provision of computer resources.

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Author notes

  1. Chris P. Ewels

    Present address: DMSC, ONERA, 29 Avenue de la Division Leclerc, 92322, Chatillon, France

Authors and Affiliations

  1. The University of Sussex, Falmer, Brighton, BN1 9QJ, UK

    Rob H. Telling, Ahlam A. El-Barbary & Malcolm I. Heggie

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  1. Rob H. Telling
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Correspondence to Rob H. Telling.

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Telling, R., Ewels, C., El-Barbary, A. et al. Wigner defects bridge the graphite gap. Nature Mater 2, 333–337 (2003). https://doi.org/10.1038/nmat876

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