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Physical mechanism of delta-delta '-epsilon phase stability in plutonium
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering. Uppsala Univ, Sweden.
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering. Uppsala Univ, Sweden.ORCID iD: 0000-0003-2832-3293
2017 (English)In: Scientific Reports, ISSN 2045-2322, E-ISSN 2045-2322, Vol. 7, article id 5632Article in journal (Refereed) Published
Abstract [en]

Based on first-principle calculations, we have systematically explored the nature of the elastic stability and the delta-delta'-epsilon phase transitions in pure Pu at high temperature. It is found that, both the electronphonon coupling and the spin fluctuation effects tend to decrease the tetragonal elastic constant (C') of delta-Pu, accounting for its anomalous softening at high temperature. The lattice thermal expansion together with the electron-phonon coupling can stiffen C' of epsilon-Pu, promoting its mechanical stability at high temperature. The delta-epsilon transition is calculated to take place around 750-800 K, and is dominated by the phonon vibration. The delta' intermediate phase is realized around 750 K mainly because of the thermal spin fluctuation.

Place, publisher, year, edition, pages
Nature Publishing Group, 2017. Vol. 7, article id 5632
National Category
Materials Engineering
Identifiers
URN: urn:nbn:se:kth:diva-211607DOI: 10.1038/s41598-017-06009-1ISI: 000405677200017Scopus ID: 2-s2.0-85025621687OAI: oai:DiVA.org:kth-211607DiVA, id: diva2:1131361
Funder
Swedish Research CouncilSwedish Foundation for Strategic Research
Note

QC 20170814

Available from: 2017-08-14 Created: 2017-08-14 Last updated: 2017-08-14Bibliographically approved

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