SwePub
Sök i SwePub databas

  Extended search

Träfflista för sökning "WFRF:(Vekilova O.Yu.) "

Search: WFRF:(Vekilova O.Yu.)

  • Result 1-1 of 1
Sort/group result
   
EnumerationReferenceCoverFind
1.
  • Abrikosov, I. A., et al. (author)
  • Multiscale approach to theoretical simulations of materials for nuclear energy applications : Fe-Cr and Zr-based alloys
  • 2013
  • In: Advances in materials for nuclear energy. - : Materials Research Society. - 9781605114910 ; , s. 3-14
  • Conference paper (peer-reviewed)abstract
    • We review basic ideas behind state-of-the-art techniques for first-principles theoretical simulations of the phase stabilities and properties of alloys. We concentrate on methods that allow for an efficient treatment of compositional and thermal disorder effects. In particular, we present novel approach to evaluate free energy for strongly anharmonic systems. Theoretical tools are then employed in studies of two materials systems relevant for nuclear energy applications: Fe-Cr and Zr-based alloys. In particular, we investigate the effect of hydrostatic pressure and multicomponent alloying on the mixing enthalpy of Fe-Cr alloys, and show that in the ferromagnetic state both of them reduce the alloy stability at low Cr concentration. For Zr-Nb alloys, we demonstrate how microscopic parameters calculated from first-principles can be used in higher-level models.
  •  
Skapa referenser, mejla, bekava och länka
  • Result 1-1 of 1
Type of publication
conference paper (1)
Type of content
peer-reviewed (1)
Author/Editor
Ruban, Andrei V. (1)
Abrikosov, I. A. (1)
Ponomareva, A. V. (1)
Barannikova, S. A. (1)
Hellman, O. (1)
Vekilova, O.Yu. (1)
show more...
Simak, S. I. (1)
show less...
University
Royal Institute of Technology (1)
Language
English (1)
Research subject (UKÄ/SCB)
Natural sciences (1)
Year
2013 (1)

Kungliga biblioteket hanterar dina personuppgifter i enlighet med EU:s dataskyddsförordning (2018), GDPR. Läs mer om hur det funkar här.
Så här hanterar KB dina uppgifter vid användning av denna tjänst.

 
pil uppåt Close

Copy and save the link in order to return to this view