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Journal of Phase Equilibria

, Volume 15, Issue 3, pp 330–338 | Cite as

Ab initio calculation of thermodynamic data and phase diagram of binary transition metal based alloys

  • C. Colinet
  • A. Pasturel
Article

Keywords

Ni3Ti Coherent Potential Approximation Cluster Variation Method Cluster Interaction Random Energy 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Cited References

  1. 44Mur:.
    F.D. Murnaghan,Proc. Natl. Acad. Sci., USA, 30,244 (1944).ADSGoogle Scholar
  2. 51Kik:.
    R. Kikachi,Phys. Rev., 81,988(1951).ADSMathSciNetGoogle Scholar
  3. 54Sla:.
    J.C. Slater and G.F. Koster,Phys. Rev., 94,1498 (1954).ADSGoogle Scholar
  4. 58Kub:.
    O. Kubaschewski,Trans. Faraday Soc, 54,814 (1958).Google Scholar
  5. 65Her:.
    F. Herman and S. Skillman, inAtomic Structure Calculations, Prentice Hall, Englewood Cliffs, NJ (1965).Google Scholar
  6. 71Shi:.
    H. Shiba,Prog.Theor.Phys., 46,77(1971).ADSGoogle Scholar
  7. 72Ger:.
    R.M. German and G.R. Saint Pierre,Metall. Trans., 3, 2819 (1972).Google Scholar
  8. 73Hul:.
    R. Hultgren, P.D. Desai, D.T. Hawkins, M. Gleiser, and K.K. Kelley,Selected Values of the Thermodynamic Properties of Binary Alloys, American Society for Metals, Metals Park, OH (1973).Google Scholar
  9. 74Dan:.
    H.D. Dannöhl and H.L. Lukas,Z Metallkd., 65,642 (1974).Google Scholar
  10. 74Kik:.
    R. Kikuchi and H. Sato,Acto Metall, 22,1099 (1974).Google Scholar
  11. 75Gau:.
    F. Gautier, F. Ducastelle, and J. Giner,Philos. Mag., 31,1372 (1975).ADSGoogle Scholar
  12. 75Hen:.
    E.T. Henig and H.L. Lukas,Z Metallkd., 66,98 (1975).Google Scholar
  13. 75Mie:.
    A.R. Miedema, R. Boom, and FR. de Boer,J. Less-Common Met., 41,283(1975).Google Scholar
  14. 76Duc:.
    F. Ducastelle and F. Gautier,J. Phys. F, 6,2039 (1976).ADSGoogle Scholar
  15. 77Kik:.
    R. Kikuchi and D. de Fontaine,Applications of Phase Diagrams in Metallurgy and Ceramics, G. C. Carter, Ed., NBS Publications, SP. 496,967(1977).Google Scholar
  16. 78Kit:.
    R.C. Kittler and L.M. Falicov,Phys. Rev. B, 18,2506 (1978).ADSGoogle Scholar
  17. 78Mor:.
    V.L. Moruzzi, J.F. Janak, and A.R. Williams, Calculated Elec- tronic Properties of Metals, Pergamon, New York, 2 (1978).Google Scholar
  18. 79Pet:.
    D.G. Pettifor,Phys. Rev. Lett., 42,846 (1979).ADSGoogle Scholar
  19. 80Hac:.
    D. Hackenbracht and J. Kubier,J. Phys. F, Met. Phys., 10,427 (1980).ADSGoogle Scholar
  20. 80Har:.
    W.A. Hanson,Electronic Structure and the Properties of Solids, Freeman, San Francisco (1980).Google Scholar
  21. 81Esi:.
    Yu.O. Esin, M.G. Valishev, A.F. Ermakov, O.V. Gel'd, and M.S. Petrushevsku,Russ. J. Phys. Chem., 55,421 (1981).Google Scholar
  22. 81Gac:.
    J.C. Gachon, M. Notin, and J. Hertz,Thermochim. Acta, 48,155 (1981).Google Scholar
  23. 81Wat:.
    R.E. Watson and L.H. Bennett,Calphad, 5,25 (1981).Google Scholar
  24. 82Rob:.
    M.O. Robbins and L.M. Falicov,Phys. Rev. B, 25,2343 (1982).ADSGoogle Scholar
  25. 83Con:.
    J.W.D. Connolly and A.R. Williams,Phys. Rev. B, 27, 5169 (1983).ADSGoogle Scholar
  26. 84And:.
    O.K. Anderson,NATO ASI on Electronic Structure of Complex Systems, P. Phariseau and W. T. Temmerman, Ed., Plenum, New York, 11(1984).Google Scholar
  27. 84Rob:.
    M.O. Robbins and L.M. Falicov,Phys. Rev. B, 29,1333 (1984).ADSGoogle Scholar
  28. 84Wat:.
    R.E. Watson and L.H. Bennett,Calphad, 8,307 (1984).Google Scholar
  29. 85Col:.
    C. Colinet, A. Pasturel, and P. Hicter,Calphad, 9,71 (1985).Google Scholar
  30. 85Haw:.
    R.J. Hawkins, M.O. Robbins, and J.M. Sanchez,Solid State Commun., 55,253(1985).ADSGoogle Scholar
  31. 85Sig:.
    C. Sigli and J.M. Sanchez,Acta Metall., 33,1097 (1985).Google Scholar
  32. 86Bie:.
    S. Bieber and F. Gautier,Acta Metall., 34,2291 (1986).Google Scholar
  33. 86Bin:.
    K. Binder,Monte Carlo Methods in Statistical Physics, K. Binder, Ed., Springer Series on Topics in Current Physics, Springer, Berlin(1986).zbMATHGoogle Scholar
  34. 86Gom:.
    P.A. Gomozov, Yu.V. Zasypalov, and B.M. Mogutnov,Russ. J. Phys. Chem., 60,1122(1986).Google Scholar
  35. 86Haw:.
    R.J. Hawkins, M.O. Robbins, and J.M. Sanchez,Phys. Rev. B 33,4782(1986).ADSGoogle Scholar
  36. 86May:.
    D. Mayou, D. Nguyen Manh, A. Pasturel, and F. Cyrot-Lack-mann,Phys. Rev. B, 33,3384 (1986).ADSGoogle Scholar
  37. 86Sig:.
    C. Sigli, M. Kosugi, and J.M. Sanchez,Phys. Rev. Lett., 57,253 (1986).ADSGoogle Scholar
  38. 87Bie:.
    A. Bieber and F. Gautier,Acta Metall., 35,1839 (1987).Google Scholar
  39. 87Car:.
    A.E. Carlsson,Phys. Rev. B, 35,4858 (1987).ADSGoogle Scholar
  40. 87Col:.
    C. Colinet and A. Pasturel,Calphad, 11,335(1987).Google Scholar
  41. 87Tur:.
    P. Turchi, M. Sluiter, and D. de Fontaine,Phys. Rev. B 36 3161 (1987).ADSGoogle Scholar
  42. 87Xu:.
    J.H. Xu, T. Oguchi, and A.J. Freeman,Phys. Rev., 36, 4186 (1987).Google Scholar
  43. 88Ans:.
    I. Ansara, B. Sundman, and P. Willemin,Acta Metall., 36, 977 (1988).Google Scholar
  44. 88Boe:.
    F.R. de Boer, R. Boom, W.C.M. Mattens, A.R. Miedema, and A.K. Messen,Cohesion in Metals. Transition Metal Alloys, Vol.1, FR. de Boer and D.G. Pettifor, Ed., North Holland (1988).Google Scholar
  45. 88Car:.
    A.E. Carlsson and J.M. Sanchez,Solid State Commun., 65,527 (1988).ADSGoogle Scholar
  46. 88Haw:.
    R.J. Hawkins and J.M. Sanchez,J. Phys. F,18,767 (1988).ADSGoogle Scholar
  47. 88Lük:.
    R. Lück and I. Arpshofen,Thermochim. Acta, 737,171(1988).Google Scholar
  48. 88Sig:.
    C. Sigli and J.M. Sanchez,Acta Metall., 36,367 (1988).Google Scholar
  49. 88Slu:.
    M. Sluiter, P. Turchi, F. Zezhong, and D. de Fontaine, Phys. Rev. Lett.,60,716(1988).ADSGoogle Scholar
  50. 89Col:.
    C. Colinet, A. Bessoud, and A. Pasturel,J. Phys., Condens. Mat- ter, 7,5837 (1989).ADSGoogle Scholar
  51. 89Slu:.
    M. Sluiter and P.E.A. Turchi,Phys. Rev. B, 40,11215 (1989).ADSGoogle Scholar
  52. 90Kek:.
    S. Kek, C. Rzyman, and F Sommer,Anales de Fisica, B86, 31 (1990).Google Scholar
  53. 90Mur:.
    J.L. Murray,Binary Alloy Phase Diagrams, 2nd ed., T. B. Mas-salski, P. R. Subramanian, H. Okamoto, and L. Kacprzak, Ed., ASM International, Materials Park, OH, 2874 (1990).Google Scholar
  54. 90Sin:.
    M.F. Singleton, J.L. Murray, and P. Nash,Binary Alloy Phase Diagrams, 2nd ed., T.B. Massalski, P. R. Subramanian, H. Okamoto, and L. Kacprzak, Ed., ASM International, Materials Park, OH, 181 (1990).Google Scholar
  55. 91Din:.
    A.T. Dinsdale,Calphad, 75,317(1991).Google Scholar
  56. 91Ind:.
    G. Inden and W. Pitsch,Atomic Ordering in Materials Science and Technology, Vol. 5, R.W. Cahn, P. Haasen, and E.J. Kramer, Ed Weinheim, 97 (1991).Google Scholar
  57. 91Lel:.
    D.H. Le, C. Colinet, P. Hicter, and A. Pasturel,J. Phys., Condens. Matter, 3,7895 (1991).ADSGoogle Scholar
  58. 91Le2:.
    D.H. Le, C. Colinet, P. Hicter, and A. Pasturel,J. Phys., Condens Matter, 3,9965(1991).ADSGoogle Scholar
  59. 91Lu:.
    Z.W. Lu, S.H. Wei, A. Zunger, S. Frota-Pessoa, and L.G. Ferreira,Phys. Rev. 73,44,512(1991).Google Scholar
  60. 91Sau:.
    N. Saunders, private communication (1991).Google Scholar
  61. 91Sch:.
    M. Van Schilfgaarde, A.T. Paxton, A. Pasturel, and M. Methfes-sel, MRS, Vol. 186, G. M. Stocks, A. F. Giamei, and D. P. Pope, Ed, MRS, Pittsburgh, PA, 107 (1991).Google Scholar
  62. 92Col:.
    C. Colinet, P. Hicter, and A. Pasturel,Phys. Rev. B, 45, 1571 (1992).ADSGoogle Scholar
  63. 92Pas:.
    A. Pasturel, C. Colinet, A.T. Paxton, and M. Van Schilfgearde,J. Phys., Condens. Matter, 4,945 (1992).ADSGoogle Scholar
  64. 92San:.
    J.M. Sanchez, “First Principles Calculation of Phase Diagrams,≓Structural and Phase Stability of Alloys, J.L. Moran-Lopez, Cdt, Ple- num Press, New York, 151 (1992).Google Scholar
  65. 92Sch:.
    M. Van Schilfgaarde, A.T. Paxton, and M. Methfessel, unpub- lished work (1992).Google Scholar
  66. 92Slu:.
    M. Sluiter, P.E.A. Turchi, F.J. Pinski, and G.M. Stocks,J. Phase Equilibria, 73,605(1992).Google Scholar
  67. 93Abr:.
    I.A. Abrikosov, A.V. Ruban, D.Ya. Kats, and Y.U. Kekilov,J. Phys, Condens. Matter, 5,1271 (1993).ADSGoogle Scholar
  68. 93Col:.
    C. Colinet and A. Pasturel,Physica B, 192,238 (1993).ADSGoogle Scholar
  69. 93Tur:.
    P.E.A. Turchi, “Electronic Theories of Alloy Phase Stability,≓In- termetallic Compounds: Principles and Practice, J. H. Westbrook and R. L. Fleisher, Ed., John Wiley & Sons, Ltd.,New York, to be publish- ed (1993).Google Scholar
  70. 94Mes:.
    S.V. Meschel and O.J. Kleppa, private communication (1994).Google Scholar
  71. 94Pas:.
    A. Pasturel, private communication (1994).Google Scholar
  72. 94Som:.
    F Sommer, private communication (1994).Google Scholar

Copyright information

© ASM International 1994

Authors and Affiliations

  • C. Colinet
    • 1
  • A. Pasturel
    • 1
  1. 1.Laboratoire de Thermodynamique et Physico-Chimie MétallurgiquesI.N.P.G., ENSEEGCedexFrance

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