Transmutation in 90SrF2: A density functional theory study of phase stability in ZrF2

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Transmutation in 90SrF2: A density functional theory study of phase stability in ZrF2

The stability of multiple possible phases of ZrF2 is computed using density-functional theory. Motivated by radioactive samples of fluorite 90SrF2 stored at the Hanford site, we consider β− radioactive decay as the route by which the 90ZrF2 is generated. To find suitable structures for the ZrF2 comp...

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Bibliographic Details
Main Authors:	Sassi, Michel, Uberuaga, B, Stanek, C, Marks, Nigel
Format:	Journal Article
Published:	American Physical Society 2012
Online Access:	http://hdl.handle.net/20.500.11937/25062

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