Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
Ab initio study of advanced metallic nuclear fuels for fast breeder reactors
Show others and affiliations
2012 (English)In: Actinides And Nuclear Energy Materials, Materials Research Society, 2012, 67-78 p.Conference paper, Published paper (Refereed)
Abstract [en]

Density-functional formalism is applied to study the ground state properties of γ-U-Zr and γ-U-Mo solid solutions. Calculated heats of formation are compared with CALPHAD assessments. We discuss how the heat of formation in both alloys correlates with the charge transfer between the alloy components. The decomposition curves for γ-based U-Zr and U-Mo solid solutions are derived from Ising-type Monte Carlo simulations. We explore the idea of stabilization of the γ-UZr2 compound against the α-Zr (hcp) structure due to increase of Zr d-band occupancy by the addition of U to Zr. We discuss how the specific behavior of the electronic density of states in the vicinity of the Fermi level promotes the stabilization of the U2Mo compound. The mechanism of possible Am redistribution in the U-Zr and U-Mo fuels is also discussed.

Place, publisher, year, edition, pages
Materials Research Society, 2012. 67-78 p.
Series
Materials Research Society Symposium Proceedings, ISSN 0272-9172 ; 1444
Keyword [en]
Calphad assessment, Decomposition curves, Density functionals, Fast breeder reactors, Ground state properties, Heats of formation, Metallic nuclear fuels, Monte Carlo simulations
National Category
Physical Sciences
Identifiers
URN: urn:nbn:se:kth:diva-128960DOI: 10.1557/opl.2012.985ISI: 000310366000010Scopus ID: 2-s2.0-84871775489ISBN: 978-1-60511-421-7 (print)OAI: oai:DiVA.org:kth-128960DiVA: diva2:649846
Conference
2012 MRS Spring Meeting; San Francisco, CA; United States; 9 April 2012 through 13 April 2012
Note

QC 20130919

Available from: 2013-09-19 Created: 2013-09-17 Last updated: 2013-09-19Bibliographically approved

Open Access in DiVA

No full text

Other links

Publisher's full textScopus

Authority records BETA

Vitos, Levente

Search in DiVA

By author/editor
Ruban, Andrei V.Vitos, Levente
By organisation
Applied Material Physics
Physical Sciences

Search outside of DiVA

GoogleGoogle Scholar

doi
isbn
urn-nbn

Altmetric score

doi
isbn
urn-nbn
Total: 30 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf