First-principles investigation of phase equilibria of fe-based alloy systems

Proceedings of an International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2005

Volumn 2, Issue , 2005, Pages 663-668

  Chen, Ying ^a   Iwata, Shuichi ^a   Mohri, Tetsuo ^b  

^a UNIVERSITY OF TOKYO   (Japan)

^b HOKKAIDO UNIVERSITY   (Japan)

Author keywords

Cluster expansion method; Cluster variation method; Debye gruneisen model; Fe Pt, Pd, Ni alloy system; First principles calculations; Magnetism; Order disorder; Separation

Indexed keywords

IRON ALLOYS; MAGNETISM; PHASE DIAGRAMS; SEPARATION; STOICHIOMETRY;

CLUSTER EXPANSION METHOD; CLUSTER VARIATION METHOD; DEBYE-GRUNEISEN MODEL; FE-PT, -PD, -NI ALLOY SYSTEM; FIRST PRINCIPLES CALCULATIONS; ORDER-DISORDER;

PHASE EQUILIBRIA;

EID: 33645277379     PISSN: None     EISSN: None     Source Type: Conference Proceeding    
DOI: None     Document Type: Conference Paper

References (22)

1. Thaddeus B. Massalski: Binary Phase Diagrams (ASM 1986)
2. Y. Chen, T. Atago and T. Mohri: J. Phys. Condens. Matter, Vol. 14 (2002), p. 1903
3. T. Mohri and Y. Chen: Mater. Trans. Vol. 43 (2002), p.2104
4. Y. Chen, S. Iwata and T. Mohri: Calphad, Vol.26 (2002), p.583
5. T. Mohri and Y. Chen: Mater. Trans., Vol. 45 (2004), p.1
6. T. Mohri and Y. Chen: J. Alloy and Compounds, Vol. 383 (2004), p. 23
7. Y. Chen, S. Iwata and T. Mohri, Materials Science Forum, 475-479 (2004), p.3127
8. H. J. F. Jansen and A. J. Freeman: Phys. Rev. Vol. B30 (1984), p.561
9. J. P. Perdew, JA. Chevary, S.H. Vosko, et al,: Phys. Rev. Vol. B46 (1992), p. 671
10. J.W. Connolly and A.R. Williams: Phys. Rev. Vol.B27 (1983), p.5169
11. R. Kikuchi: Phys. Rev. Vol. 81(1951), p.998
12. V. Morruzi, J.F. Janak and K. Schwarz: Phys. Rev. Vol. B37 (1988), p.790
13. J.D. Becker, J.M. Sanchez and J.K. Tien: Proc. MRS in Boston (1990)
14. O.E. Bacon and J. Crangle: Proc. Royal. Soc. London, Vol. 272 (1963), p.387
15. K. Ono, Y. Ueda, A. Yamaguchi and J. Moriyama, Trans. JIM., Vol.18 (1977), p.610.
16. M.-Z.Dang and D.G. Rancourt, Phys. Rev. Vol. B53 (1996), p.2291
17. I. Ohuma et al. ASM Meeting in Columbus (2004)
18. T. Mohri and Y. Chen, J. Japan Inst. Metals, Vol. 68 (2004), p.966, and submitted (2005)
19. Q. Li, A. Wiedenmenn and H. Wollenberger, J. Mater. Res. Vol.12 (1997), p.83
20. V. Crisan, P. Entel, H. Ebert, D.D. Johnson et al., Phys. Rev. Vol.B66 (2002), p.014416
21. M. van Schifgaarde, I. A. Abrokosov, et al., Nature, Vol. 400 (1999), p.46,
22. V. Ruban, M. I. Katsnelson et al., Phys. Rev. Vol.B71 (2005), p.0154402, etc.