Fundamental properties of octalithium plumbate ceramic breeder material

Davies, A.W. and Murphy, S.T. (2021) Fundamental properties of octalithium plumbate ceramic breeder material. Journal of Nuclear Materials, 552: 152982. ISSN 0022-3115

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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.

Item Type:

Journal Article

Journal or Publication Title:

Journal of Nuclear Materials

Additional Information:

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

Uncontrolled Keywords:

/dk/atira/pure/subjectarea/asjc/2500/2500

Subjects:

?? dftfusionli8pbo6tritiumbreeder reactorsbreeding blanketsdefectsfusion reactionsfusion reactorslead compoundslithiumbreeder blanketsbreeder materialscandidate materialsceramic breeder materialsdensity functional theory simulationsdensity-functional-theoryf ??

Departments:

Faculty of Science and Technology > Engineering

ID Code:

155447

Deposited By:

ep_importer_pure

Deposited On:

28 May 2021 11:25

Refereed?:

Yes

Published?:

Published