Chemical evolution via beta decay: a case study in strontium-90

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...

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Main Authors: Marks, Nigel, Carter, Damien, Sassi, Michel, Rohl, Andrew, Sickafus, K., Uberuaga, B., Stanek, C.
Format: Journal Article
Published: Institute of Physics Publishing Ltd. 2013
Online Access:http://hdl.handle.net/20.500.11937/20350
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author Marks, Nigel
Carter, Damien
Sassi, Michel
Rohl, Andrew
Sickafus, K.
Uberuaga, B.
Stanek, C.
author_facet Marks, Nigel
Carter, Damien
Sassi, Michel
Rohl, Andrew
Sickafus, K.
Uberuaga, B.
Stanek, C.
author_sort Marks, Nigel
building Curtin Institutional Repository
collection Online Access
description 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.
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institution Curtin University Malaysia
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spelling curtin-20.500.11937-203502017-09-13T16:01:25Z Chemical evolution via beta decay: a case study in strontium-90 Marks, Nigel Carter, Damien Sassi, Michel Rohl, Andrew Sickafus, K. Uberuaga, B. Stanek, C. 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. 2013 Journal Article http://hdl.handle.net/20.500.11937/20350 10.1088/0953-8984/25/6/065504 Institute of Physics Publishing Ltd. fulltext
spellingShingle Marks, Nigel
Carter, Damien
Sassi, Michel
Rohl, Andrew
Sickafus, K.
Uberuaga, B.
Stanek, C.
Chemical evolution via beta decay: a case study in strontium-90
title Chemical evolution via beta decay: a case study in strontium-90
title_full Chemical evolution via beta decay: a case study in strontium-90
title_fullStr Chemical evolution via beta decay: a case study in strontium-90
title_full_unstemmed Chemical evolution via beta decay: a case study in strontium-90
title_short Chemical evolution via beta decay: a case study in strontium-90
title_sort chemical evolution via beta decay: a case study in strontium-90
url http://hdl.handle.net/20.500.11937/20350