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Experimental and th...
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Errandonea, DanielUniv Valencia, Spain
(author)
Experimental and theoretical confirmation of an orthorhombic phase transition in niobium at high pressure and temperature
- Article/chapterEnglish2020
Publisher, publication year, extent ...
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2020-08-13
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Springer Nature,2020
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electronicrdacarrier
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LIBRIS-ID:oai:DiVA.org:liu-173436
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https://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-173436URI
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https://doi.org/10.1038/s43246-020-00058-2DOI
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Language:English
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Summary in:English
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Subject category:ref swepub-contenttype
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Subject category:art swepub-publicationtype
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Funding Agencies|Spanish Ministerio de Ciencia, Innovacion y Universidades [MAT2016-75586-C4-1-P, PGC2018-097520-A-100, RED2018-102612-T]; Generalitat ValencianaGeneralitat Valenciana [Prometeo/2018/123 EFIMAT]; Spanish governmentSpanish Government [RyC-2014-15643]; US Department of EnergyUnited States Department of Energy (DOE) [DE-AC52-07NA27344]
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Compared to other body-centered cubic (bcc) transition metals, Nb has been the subject of fewer compression studies and there are still aspects of its phase diagram which are unclear. Here, we report a combined theoretical and experimental study of Nb under high pressure and temperature. We present the results of static laser-heated diamond anvil cell experiments up to 120 GPa using synchrotron-based fast x-ray diffraction combined with ab initio quantum molecular dynamics simulations. The melting curve of Nb is determined and evidence for a solid-solid phase transformation in Nb with increasing temperature is found. The high-temperature phase of Nb is orthorhombic Pnma. The bcc-Pnma transition is clearly seen in the experimental data on the Nb principal Hugoniot. The bcc-Pnma coexistence observed in our experiments is explained. Agreement between the measured and calculated melting curves is very good except at 40-60 GPa where three experimental points lie below the theoretical melting curve by 250 K (or 7%); a possible explanation is given. The study of materials under extreme conditions can reveal interesting physics in diverse areas such as condensed matter and geophysics. Here, the authors investigate experimentally and theoretically the high pressure-high temperature phase diagram of niobium revealing a previously unobserved phase transition from body-centered cubic to orthorhombic phase.
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Burakovsky, LeonidLos Alamos Natl Lab, NM 87545 USA
(author)
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Preston, Dean L.Los Alamos Natl Lab, NM 87545 USA
(author)
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MacLeod, Simon G.Univ Edinburgh, Scotland; AWE, England
(author)
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Santamaria-Perez, DavidUniv Valencia, Spain
(author)
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Chen, ShaopingLos Alamos Natl Lab, NM 87545 USA
(author)
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Cynn, HyunchaeLawrence Livermore Natl Lab, CA 94551 USA
(author)
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Simak, SergeyLinköpings universitet,Teoretisk Fysik,Tekniska fakulteten(Swepub:liu)sersi78
(author)
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McMahon, Malcolm I.Univ Edinburgh, Scotland
(author)
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Proctor, John E.Univ Edinburgh, Scotland
(author)
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Mezouar, MohamedEuropean Synchrotron Radiat Facil, France
(author)
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Univ Valencia, SpainLos Alamos Natl Lab, NM 87545 USA
(creator_code:org_t)
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In:COMMUNICATIONS MATERIALS: Springer Nature1:12662-4443
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