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Density-functional study of bcc Pu-U, Pu-Np, Pu-Am, and Pu-Cm alloys
- Landa, A. (author)
- Soederlind, P. (author)
- Turchi, P. E. A. (author)
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- Peil, O. E. (author)
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- (creator_code:org_t)
- Elsevier BV, 2011
- 2011
- English.
- In: Journal of Nuclear Materials. - : Elsevier BV. - 0022-3115 .- 1873-4820. ; 408:1, s. 61-66
- Journal article (peer-reviewed)
Abstract
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- 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.
Subject headings
- TEKNIK OCH TEKNOLOGIER -- Materialteknik (hsv//swe)
- ENGINEERING AND TECHNOLOGY -- Materials Engineering (hsv//eng)
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
Keyword
- Materials science
- Teknisk materialvetenskap
- Physics
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- ref (subject category)
- art (subject category)
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- Landa, A.
- Soederlind, P.
- Turchi, P. E. A.
- Vitos, Levente
- Peil, O. E.
- Ruban, Andrei
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- Uppsala University
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