High pressure stability of β-Zr: no evidence for isostructural phase transitions

O’Bannon, E. F.; Söderlind, P.; Sneed, D. S.; Lipp, M. J.; Cynn, H.; Smith, J. S.; Park, C.; Jenei, Zs

doi:10.1080/08957959.2021.1957863

Title: High pressure stability of β-Zr: no evidence for isostructural phase transitions

Journal Article · 30 July 2021 · High Pressure Research

DOI: https://doi.org/10.1080/08957959.2021.1957863 · OSTI ID:1829011

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Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Argonne National Lab. (ANL), Argonne, IL (United States)

Isostructural transitions have been reported to occur in several pure elements; however, most of these have been disproven. Zr is one of those elements which remains controversial with two reports of an isostructural bcc-to-bcc transition at ~56–60 GPa at an ambient temperature and a more recent report proposing a second bcc-to-bcc transition at 110 GPa. Here, we report a detailed experimental and theoretical study of zirconium in the pressure region of the proposed isostructural transition(s). We conducted three room temperature static compression experiments using Ne as a pressure transmitting medium up to 80 GPa. We see no evidence for an isostructural transition finding a smooth compression curve for β-Zr. We determined the theoretical volume, elastic parameters, and Poisson’s ratio for β-Zr up to 717 GPa and no obvious anomalies are identified. Furthermore, our new results join the growing body of evidence that does not find evidence of isostructural transitions in β-Zr.

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Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States); Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)

Sponsoring Organization:: Lawrence Livermore National Laboratory - Laboratory Directed Research and Development (LDRD); USDOE National Nuclear Security Administration (NNSA); USDOE National Nuclear Security Administration (NNSA) - Office of Experimental Sciences (NA-113); USDOE Office of Science (SC)

Grant/Contract Number:: AC02-06CH11357; AC52-07NA27344

OSTI ID:: 1829011

Report Number(s):: LLNL-JRNL--822199; 1034378

Journal Information:: High Pressure Research, Journal Name: High Pressure Research Journal Issue: 3 Vol. 41; ISSN 0895-7959

Publisher:: Taylor & FrancisCopyright Statement

Country of Publication:: United States

Language:: English

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Title: High pressure stability of β-Zr: no evidence for isostructural phase transitions

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