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  • Revised_Li8PbO6

    Rights statement: This is the author’s version of a work that was accepted for publication in Journal of Nuclear Materials. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Journal of Nuclear Materials, 522, 2021 DOI: 10.1016/j.jnucmat.2021.152982

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Fundamental properties of octalithium plumbate ceramic breeder material

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Published
Article number152982
<mark>Journal publication date</mark>15/08/2021
<mark>Journal</mark>Journal of Nuclear Materials
Volume552
Number of pages8
Publication StatusPublished
Early online date14/04/21
<mark>Original language</mark>English

Abstract

Octalithium plumbate (Li8PbO6) is a candidate for use as a breeder material in future D-T tokamak fusion reactor designs. Key to the development of a breeder blanket is the characterisation of candidate materials. Therefore, density functional theory (DFT) simulations are used to examine the fundamental elastic, electronic and thermal properties of Li8PbO6. A comparison is made between two different DFT simulation packages to demonstrate the validity of the results given in this article and as compensation for a lack of experimental data to compare to in the literature. Finally, formation energies are calculated for lithium vacancy defects as well as tritium accommodated as substitutional defects on the lithium site, as these are expected to be some of the most common types of defect in the breeder blanket during reactor operation.

Bibliographic note

This is the author’s version of a work that was accepted for publication in Journal of Nuclear Materials. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Journal of Nuclear Materials, 522, 2021 DOI: 10.1016/j.jnucmat.2021.152982