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Density-functional study of Zr-based actinide alloys: 2. U-Pu-Zr system
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.ORCID iD: 0000-0003-2832-3293
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2009 (English)In: Journal of Nuclear Materials, ISSN 0022-3115, E-ISSN 1873-4820, Vol. 393, no 1, 141-145 p.Article in journal (Refereed) Published
Abstract [en]

Density-functional theory, previously used to describe phase equilibria in the U-Zr alloys [A. Landa, P. Soderlind, P.E.A. Turchi, L. Vitos, A. Ruban, J. Nucl. Mater. 385 (2009) 68[, is applied to study ground-state properties of the bcc U-Pu-Zr solid solutions. Calculated heats of formation of the Pu-U and Pu-Zr alloys are in a good agreement with CALPHAD assessments. We found that account for spin-orbit coupling is important for successful description of Pu-containing alloys.

Place, publisher, year, edition, pages
2009. Vol. 393, no 1, 141-145 p.
Keyword [en]
constituent redistribution, phase-diagram, delta-pu, approximation, temperature, transition, pressures, plutonium, cerium, fuel
URN: urn:nbn:se:kth:diva-18734DOI: 10.1016/j.jnucmat.2009.05.014ISI: 000269582700019ScopusID: 2-s2.0-68049093940OAI: diva2:336781
QC 20100525Available from: 2010-08-05 Created: 2010-08-05 Last updated: 2011-01-31Bibliographically approved

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