APL Nameplate
  • Volume/Page
  • Keyword
  • DOI
  • Citation
  • Advanced
   
 
 
 

Flickr Twitter UniPHY Group iResearch App Facebook

Applied Physics Letters / Volume 94 / Issue 16 / STRUCTURAL, MECHANICAL, THERMODYNAMIC, AND OPTICAL PROPERTIES OF CONDENSED MATTER

Appl. Phys. Lett. 94, 161901 (2009); http://dx.doi.org/10.1063/1.3120543 (3 pages)

Ab initio calculations of elastic properties of Ru1−xNixAl superalloys

I. D. Bleskov1, E. A. Smirnova1, Yu. Kh. Vekilov1, P. A. Korzhavyi2, B. Johansson2,3, M. Katsnelson4, L. Vitos2,3, I. A. Abrikosov5, and E. I. Isaev1,5

1Department of Theoretical Physics, Moscow State Institute of Steel and Alloys, 4 Leninskii Prospect, Moscow 119049, Russia
2Department of Materials Science and Engineering, Royal Institute of Technology (KTH), SE-100 44 Stockholm, Sweden
3Department of Physics and Materials Science, Division for Materials Theory, Uppsala University, P.O. Box 530, SE-751 21 Uppsala, Sweden
4Department of Physics, Radboud University of Nijmegen, NL-6525 ED Nijmegen, The Netherlands
5Department of Physics, Chemistry, and Biology (IFM), Linköping University, SE-581 83 Linköping, Sweden

View MapView Map

(Received 20 January 2009; accepted 18 March 2009; published online 20 April 2009)

Ab initio total energy calculations based on the exact muffin-tin orbitals method, combined with the coherent potential approximation, have been used to study the thermodynamical and elastic properties of substitutional refractory Ru1−xNixAl alloys. We have found that the elastic constants C′ and C11 exhibit pronounced peculiarities near the concentration of about 40 at. % Ni, which we ascribe to electronic topological transitions. Our suggestion is supported by the Fermi surface calculations in the whole concentration range. Results of our calculations show that one can design Ru–Ni–Al alloys substituting Ru by Ni (up to 40 at. %) with almost invariable elastic constants and reduced density.

© 2009 American Institute of Physics

RELATED DATABASES

To view database links for this article, you need to log in.

KEYWORDS and PACS

Keywords

ab initio calculations, aluminium alloys, elastic constants, Fermi surface, nickel alloys, refractories, ruthenium alloys, superalloys

PACS

  • 71.15.Nc

    Total energy and cohesive energy calculations

  • 71.18.+y

    Fermi surface: calculations and measurements; effective mass, g factor

  • 62.20.dq

    Other elastic constants

ARTICLE DATA

Digital Object Identifier
http://dx.doi.org/10.1063/1.3120543

PUBLICATION DATA

ISSN

0003-6951 (print)  
1077-3118 (online)

Publisher

$abstract.society.value is a Member of CrossRef American Institute of Physics

For access to fully linked references, you need to log in.
    K. Chen, L. R. Zhao, and J. S. Tse, J. Appl. Phys. 93, 2414 (2003)JAPIAU000093000005002414000001.

    J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996).

    M. J. Mehl, J. E. Osburn, D. A. Papaconstantopoulos, and B. M. Klein, Phys. Rev. B 41, 10311 (1990).

    K. Kadas, L. Vitos, R. Ahuja, B. Johansson, and J. Kollár, Phys. Rev. B 76, 235109 (2007).


For access to citing articles, you need to log in.


Figures (3)

Access to article objects (figures, tables, multimedia) requires a subscription; log in to view available files.
(Access to supplementary files, where available, is free for this journal.)



Close

Google Calendar

ADVERTISEMENT

Your Recent History Recent History Help

Recently Viewed

  1. Ab initio calculations of elastic properties of Ru1−xNixAl superalloys
  2. Disinfection of E. coli by nonthermal microplasma electrolysis in normal saline solution
  3. Gain measurements in strain-compensated quantum cascade laser
  4. Large-area metamaterials on thin membranes for multilayer and curved applications at terahertz and higher frequencies
  5. Retrieval of satellite pulses of single isolated attosecond pulses
Go to AIP Home
Copyright © American Institute of Physics
close