Non-empirical study of phase competition in A2-B2 mixture in Fe-Al alloy

Vlad Liubich, Simon Dorfman, David Fuks

Research output: Contribution to journalArticlepeer-review

3 Scopus citations


In the framework of the coherent potential approximation we show that the interaction parameter V(0) for disordered A2 FeAl alloy strongly depends on the concentration. Data of non-empirical calculations for different compositions of B2 phase were used to extract V(0) and were compared with the parameter treated from the X-ray scattering data. Another energy parameter V(ks) which defines the stability of B2 phase with respect to its temperature disordering is negative for all concentrations under consideration.

Original languageEnglish
Pages (from-to)268-272
Number of pages5
JournalComputational Materials Science
Issue number1-2
StatePublished - 1 May 2002


  • Concentration waves
  • Intermetallics
  • Mixing energy
  • Nonempirical calculations
  • Solid solutions

ASJC Scopus subject areas

  • General Computer Science
  • General Chemistry
  • General Materials Science
  • Mechanics of Materials
  • General Physics and Astronomy
  • Computational Mathematics


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