Physical mechanism of δ-δ′-ε phase stability in plutonium

Abstract Based on first-principle calculations, we have systematically explored the nature of the elastic stability and the δ-δ′-ε phase transitions in pure Pu at high temperature. It is found that, both the electron-phonon coupling and the spin fluctuation effects tend to decrease the tetragonal el...

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Autores principales:	Chun-Mei Li, Börje Johansson, Levente Vitos
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2017
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/d1dd703cafba476785e2d106e5016f01
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spelling	oai:doaj.org-article:d1dd703cafba476785e2d106e5016f012021-12-02T15:06:01ZPhysical mechanism of δ-δ′-ε phase stability in plutonium10.1038/s41598-017-06009-12045-2322https://doaj.org/article/d1dd703cafba476785e2d106e5016f012017-07-01T00:00:00Zhttps://doi.org/10.1038/s41598-017-06009-1https://doaj.org/toc/2045-2322Abstract Based on first-principle calculations, we have systematically explored the nature of the elastic stability and the δ-δ′-ε phase transitions in pure Pu at high temperature. It is found that, both the electron-phonon coupling and the spin fluctuation effects tend to decrease the tetragonal elastic constant (C′) of δ-Pu, accounting for its anomalous softening at high temperature. The lattice thermal expansion together with the electron-phonon coupling can stiffen C′ of ε-Pu, promoting its mechanical stability at high temperature. The δ-ε transition is calculated to take place around 750–800 K, and is dominated by the phonon vibration. The δ′ intermediate phase is realized around 750 K mainly because of the thermal spin fluctuation.Chun-Mei LiBörje JohanssonLevente VitosNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 7, Iss 1, Pp 1-7 (2017)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Chun-Mei Li Börje Johansson Levente Vitos Physical mechanism of δ-δ′-ε phase stability in plutonium
description	Abstract Based on first-principle calculations, we have systematically explored the nature of the elastic stability and the δ-δ′-ε phase transitions in pure Pu at high temperature. It is found that, both the electron-phonon coupling and the spin fluctuation effects tend to decrease the tetragonal elastic constant (C′) of δ-Pu, accounting for its anomalous softening at high temperature. The lattice thermal expansion together with the electron-phonon coupling can stiffen C′ of ε-Pu, promoting its mechanical stability at high temperature. The δ-ε transition is calculated to take place around 750–800 K, and is dominated by the phonon vibration. The δ′ intermediate phase is realized around 750 K mainly because of the thermal spin fluctuation.
format	article
author	Chun-Mei Li Börje Johansson Levente Vitos
author_facet	Chun-Mei Li Börje Johansson Levente Vitos
author_sort	Chun-Mei Li
title	Physical mechanism of δ-δ′-ε phase stability in plutonium
title_short	Physical mechanism of δ-δ′-ε phase stability in plutonium
title_full	Physical mechanism of δ-δ′-ε phase stability in plutonium
title_fullStr	Physical mechanism of δ-δ′-ε phase stability in plutonium
title_full_unstemmed	Physical mechanism of δ-δ′-ε phase stability in plutonium
title_sort	physical mechanism of δ-δ′-ε phase stability in plutonium
publisher	Nature Portfolio
publishDate	2017
url	https://doaj.org/article/d1dd703cafba476785e2d106e5016f01
work_keys_str_mv	AT chunmeili physicalmechanismofddephasestabilityinplutonium AT borjejohansson physicalmechanismofddephasestabilityinplutonium AT leventevitos physicalmechanismofddephasestabilityinplutonium
_version_	1718388612433707008

Physical mechanism of δ-δ′-ε phase stability in plutonium

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