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dc.contributor.authorMarks, Nigel
dc.contributor.authorCarter, Damien
dc.contributor.authorSassi, Michel
dc.contributor.authorRohl, Andrew
dc.contributor.authorSickafus, K.
dc.contributor.authorUberuaga, B.
dc.contributor.authorStanek, C.
dc.date.accessioned2017-01-30T12:18:49Z
dc.date.available2017-01-30T12:18:49Z
dc.date.created2013-01-15T20:00:27Z
dc.date.issued2013
dc.date.submitted2013-01-25
dc.identifier.citationMarks, N.A. and Carter, D.J. and Sassi, M. and Rohl, A.L. and Sickafus, K.E. and Uberuaga, B.P. and Stanek, C.R. 2013. Chemical evolution via beta decay: a case study in strontium-90. Journal of Physics: Condensed Matter. 25: 065504.
dc.identifier.urihttp://hdl.handle.net/20.500.11937/20350
dc.identifier.doi10.1088/0953-8984/25/6/065504
dc.description.abstract

Using 90Sr as a representative isotope, we present a framework for understanding beta decay within the solid state. We quantify three key physical and chemical principles, namely momentum-induced recoil during the decay event, defect creation due to physical displacement, and chemical evolution over time. A fourth effect, that of electronic excitation, is also discussed, but this is difficult to quantify and is strongly material dependent. The analysis is presented for the specific cases of SrTiO3 and SrH2. By comparing the recoil energy with available threshold displacement data we show that in many beta-decay situations defects such as Frenkel pairs will not be created during decay as the energy transfer is too low. This observation leads to the concept of chemical evolution over time, which we quantify using density functional theory. Using a combination of Bader analysis, phonon calculations and cohesive energy calculations, we show that beta decay leads to counter-intuitive behaviour that has implications for nuclear waste storage and novel materials design.

dc.publisherInstitute of Physics Publishing Ltd.
dc.titleChemical evolution via beta decay: a case study in strontium-90
dc.typeJournal Article
dcterms.dateSubmitted2013-01-16
dcterms.source.volume25
dcterms.source.startPage065504
dcterms.source.endPage065504
dcterms.source.issn0953-8984
dcterms.source.titleJournal of Physics: Condensed Matter
curtin.digitool.pid188741
curtin.note

NOTICE: This is the author’s version of a work in which 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.

curtin.pubStatusPublished
curtin.department
curtin.identifier.scriptidPUB-SE-NRI-TMC-70772
curtin.accessStatusOpen access


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