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Density-functional study of bcc Pu-U, Pu-Np, Pu-Am, and Pu-Cm alloys
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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2011 (English)In: Journal of Nuclear Materials, ISSN 0022-3115, E-ISSN 1873-4820, Vol. 408, no 1, 61-66 p.Article in journal (Refereed) Published
Abstract [en]

Density-functional theory previously used to describe phase equilibria in the gamma-Pu-U-Zr alloys [A. Landa, P. Soderlind, PEA. Turchi, L. Vitos, A. Ruban, J. Nucl. Mater. 385 (2009) 68; A. Landa, P. Soderlind, PEA. Turchi, L. Vitos, A. Ruban, J. Nucl. Mater. 393 (2009) 141], is extended to study ground-state properties of the gamma-Pu-Np, gamma-Pu-Am, and gamma-Pu-Cm solid solutions. Calculated heats of formation are compared with CALPHAD assessments where possible. We discuss how the heat of formation correlates with the charge transfer between the alloy components.

Place, publisher, year, edition, pages
2011. Vol. 408, no 1, 61-66 p.
National Category
Materials Engineering
URN: urn:nbn:se:kth:diva-30526DOI: 10.1016/j.jnucmat.2010.10.066ISI: 000286544600010ScopusID: 2-s2.0-78650306308OAI: diva2:401879
Swedish Research Council
QC 20110304Available from: 2011-03-04 Created: 2011-02-28 Last updated: 2011-03-04Bibliographically approved

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