Site preference of atoms in the relaxed (111) APB of Ni3Al(X) alloys


The cluster variation method (CVM) has been widely used for solving many problems of phase equilibrium in metals and alloys. In the present study, we extend the original CVM so as to perform the calculations of the energy and profile of antiphase boundaries in the intermetallic compounds such as Ni-Al-X systems (X is chosen to be Fe). We calculate the site preference of ternary elements in the relaxed (111) APB region forLl2-type Ni3Al(X) alloys, based on the tetrahedron approximation of CVM. We have found that the peak of the calculated (111) APB energy appears at an alloy composition deviating slightly to the Al-rich side from stoichiometry. This deviation is considered to result from the short-range effect between Ni and Al at the APB region.

This is a preview of subscription content, access via your institution.

Cited References

  1. 1.

    T. Suzuki, H. Ooya, and S. Ochiai,Metall. Trans., 15A, 713 (1984).

    Google Scholar 

  2. 2.

    T. Hayashi, T. Shinoda, Y. Mishima, and T. Suzuki,Mater. Res. Soc. Symp.Pmc, 213, 617 (1991).

    Google Scholar 

  3. 3.

    P. Veyssiere,Philos. Mag. A, 51, 469 (1985).

    Article  ADS  Google Scholar 

  4. 4.

    J. Douin,Philos. Mag. A, 54, 375 (1986).

    Article  ADS  Google Scholar 

  5. 5.

    M. Feller-Kniepmeire,Philos. Mag. A, 62, 11 (1990).

    Google Scholar 

  6. 6.

    M.A. Crimp,Philos. Mag. Lett, 60, 45 (1989).

    Article  ADS  Google Scholar 

  7. 7.

    D.M. Dimiduk,J. Phys. III, 1, 1025 (1989).

    Article  Google Scholar 

  8. 8.

    C. Bontens and P. Veyssiere,Philos. Mag. Lett, 61, 259 (1990).

    Article  ADS  Google Scholar 

  9. 9.

    H.F. Yu,Philos. Mag. A, 70, 951 (1994).

    Article  ADS  Google Scholar 

  10. 10.

    F.-G. Wei, Doctoral thesis, Tokyo Institute of Technology (1996).

  11. 11.

    J.M. Sanchez, S. Eng, Y.P. Wu, and J.K. Tien,MRS Proc, 81, 57 (1987).

    Google Scholar 

  12. 12.

    R. Kikuchi and J.W. Cahn,Acta Metall., 26, 1337 (1978).

    Article  Google Scholar 

  13. 13.

    T. Shinoda, H. Hosoda, and Y. Mishima,Mater. Sci. Eng. A, 192/193, 930 (1995).

    Article  Google Scholar 

  14. 14.

    H. Hosoda, Doctoral thesis, Tokyo Institute of Technology (1993).

Download references

Author information



Rights and permissions

Reprints and Permissions

About this article

Cite this article

Shinoda, T., Masuda-Jindo, K. & Mishima, Y. Site preference of atoms in the relaxed (111) APB of Ni3Al(X) alloys. JPE 19, 552 (1998).

Download citation


  • Ni3Al
  • Site Preference
  • Boundary Condition
  • Continuity Constraint
  • Cluster Variation Method