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From Gibbsian Thermodynamics to Electronic Structure: Nonempirical Studies of Alloy Phase Equilibria

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References

  1. D. de Fontaine, Solid State Phys. 34 (1979) p. 73.

    Article  Google Scholar 

  2. D. de Fontaine, Solid State Phys. 47 (1994) p. 33.

    Article  CAS  Google Scholar 

  3. J.W. Cahn and J.E. Hilliard, J. Chem. Phys. 28 (1958) p. 258.

    Article  CAS  Google Scholar 

  4. J.W. Cahn, Acta Metall. 9 (1961) p. 795; J.W. Cahn, Acta Metall. 10 (1962) p. 179.

    Article  CAS  Google Scholar 

  5. H.E. Cook, D. de Fontaine, and J.E. Hilliard, Acta Metall. 17 (1969) p. 765.

    Article  CAS  Google Scholar 

  6. L.D. Landau and E.M. Lifshitz, Statistical Physics (Addison Wesley, Reading, MA, 1958).

    Google Scholar 

  7. M.A. Krivoglaz and A.A. Smirnov, The Theory of Order-Disorder in Alloys (MacDonald, London, 1965).

    Google Scholar 

  8. A.G. Khachaturyan, The Theory of Structural Transformations in Alloys (John Wiley & Sons, New York, 1983).

    Google Scholar 

  9. P.C. Clapp and S.C. Moss, Phys. Rev. 171 (1968) p. 754.

    Article  CAS  Google Scholar 

  10. D. de Fontaine, Acta Metall. 23 (1975) p. 553.

    Article  Google Scholar 

  11. C.M. van Baal, Physica (Utrecht) 64 (1973) p. 571; R. Kikuchi and C.M. van Baal, Scr. Metall. 8 (1974) p. 425.

    Article  Google Scholar 

  12. R. Kikuchi, Phys. Rev. 81 (1951) p. 988.

    Article  Google Scholar 

  13. D. de Fontaine and R. Kikuchi, in Application of Phase Diagrams in Metallurgy and Ceramics, N.B.S. Special publication 496 (G.C. Carter, ed.) (1978) p. 967.

  14. J.M. Sanchez and D. de Fontaine, Phys. Rev. B17 (1978) p. 2926.

    Article  Google Scholar 

  15. J.M. Sanchez and D. de Fontaine, Phys. Rev. B21 (1980) p. 216.

    Article  CAS  Google Scholar 

  16. J.M. Sanchez, Physica 111A (1982) p. 200.

    Article  CAS  Google Scholar 

  17. T. Mohri, J.M. Sanchez, and D. de Fontaine, Acta Metall. 33 (1985) p. 1171.

    Article  CAS  Google Scholar 

  18. J.M. Sanchez, D. Gratias, and D. de Fontaine, Acta Crystallogr. Sec. A38 (1982) p. 214.

    Google Scholar 

  19. F. Ducastelle and F. Gautier, J. Phys. F6 (1976) p. 2039.

    Article  CAS  Google Scholar 

  20. C. Sigli and J.M. Sanchez, Acta Metall. 36 (1988) p. 367.

    Article  CAS  Google Scholar 

  21. J.W.D Connolly and A.R. Williams, Phys. Rev. B27 (1983) p. 5169.

    Article  CAS  Google Scholar 

  22. R. McCormack, M. Asta, D. de Fontaine, and G. Ceder, Phys. Rev. B48 (1993) p. 6767.

    Article  CAS  Google Scholar 

  23. J.M. Sanchez, F. Ducastelle, and D. Gratias, Physica 128A (1984) p. 334.

    Article  Google Scholar 

  24. J.M. Sanchez, Phys. Rev. B48 (1993) p. 14013.

    Article  CAS  Google Scholar 

  25. J.M. Sanchez, in Theory and Applications of the Cluster Variation and Path Probability Methods, edited by J.L. Moràn-Lòpez and J.M. Sanchez (Plenum Press) in press.

  26. M.S. Daw and M.I. Baskes, Phys. Rev. Lett. 50 (1983) p. 1285; Phys. Rev. B 29 (1984) p. 6443.

    Article  CAS  Google Scholar 

  27. For example see F. Ducastelle, Order and Phase Stability in Alloys (North-Holland, New York, 1991).

    Google Scholar 

  28. C. Wolverton and A. Zunger, Phys. Rev. Lett. 75 (1995) p. 3162.

    Article  CAS  Google Scholar 

  29. G.D. Garbulsky and G. Ceder, Phys. Rev. B49 (1994) p. 6327.

    Article  CAS  Google Scholar 

  30. A. Chiolero and D. Baeriswyl, J. Slat. Phys. 76 (1994) p. 347.

    Google Scholar 

  31. M.D. Asta and S.M. Foiles, Phys. Rev. B53 (1996) p. 2389.

    Article  CAS  Google Scholar 

  32. M.D. Asta (private communication).

  33. In Binary Alloy Phase Diagrams, edited by T.B. Massalski (1990).

    Google Scholar 

  34. A. Guinier, Nature 142 (1938) p. 569.

    Article  CAS  Google Scholar 

  35. G.D. Preston, Proc. R. Soc. London, Ser. A 167 (1938) p. 526.

    Article  CAS  Google Scholar 

  36. J.W. Cahn, Acta Metall. 10 (1962) p. 907.

    Article  CAS  Google Scholar 

  37. G. Borelius and L.E. Larsson, Ark. Fys. 11 (1956) p. 137.

    CAS  Google Scholar 

  38. R. Bauer and V. Gerold, Acta Metall. 10 (1962) p. 637.

    Article  Google Scholar 

  39. A. Malik, B. Schonfeld, G. Kostorz, and J.S. Pedersen, Acta Metall. in press.

  40. For example see C. Wolverton and D. de Fontaine, Phys. Rev. B49 (1994) pp. 8627 and 12351; M.H.F. Sluiter and Y. Kawazoe, Phys. Rev. 51 (1995) p. 4062; M.H.F. Sluiter, M. Takehashi, and Y. Kawazoe, Acta Materialia 44 (1996) p. 209; R. McCormack, D. de Fontaine, C. Wolverton, and G. Ceder, Phys. Rev. B 51 (1995) p. 15808.

    Article  CAS  Google Scholar 

  41. M.D. Asta, in Theory and Applications of the Cluster Variation and Path Probability Methods, edited by Moràn-Lòpez J.L. and J.M. Sanchez (Plenum Press) in press.

  42. For example see S.H. Wei, L.G. Ferreira, and A. Zunger, Phys. Rev. B41 (1990) p. 8240; R.G. Dandrea, L.E. Bernard, S-H. Wei, and A. Zunger, Phys. Rev. Lett. 64 (1990) p. 36; T. Mohri, Progr. Theor. Phys. Supplement 115 (1994) p. 147; T. Ito, J. Appl. Phys. 77 (1995) p. 4845.

    Article  CAS  Google Scholar 

  43. For example see B.P. Burton and R.E. Cohen, Phys. Rev. B 52 (1995) p. 792; C.J. Rawn, R.S. Roth, B.P. Burton, and M.D. Hill, J. Am. Ceram. Soc. 77 (1994) p. 2173; G. Ceder, G.D. Garbulsky, and P.D. Tepesch, Phys. Rev. B 51 (1995) p. 11257; P.D. Tepesch, G.D. Garbulsky, and G. Ceder, Phys. Rev. Lett. 74 (1995) p. 2272.

    Article  CAS  Google Scholar 

  44. M.H.F Sluiter, Y. Watanabe, D. de Fontaine, and Y. Kawazoe, Phys. Rev. B53 (1996) p. 6137.

    Article  CAS  Google Scholar 

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Didier de Fontaine is a professor in the Department of Materials Science and Mineral Engineering at the University of California—Berkeley and holds a joint appointment with the Lawrence Berkeley National Laboratory. He obtained his undergraduate degree in metallurgical engineering from the University of Leuven, Belgium, and his PhD degree in materials science from Northwestern University. He is the author or co-author of over 200 publications in the fields of materials science and condensed matter physics, and is a Fellow of the American Physical Society. Current research interests focus on ab initio calculations of alloy-phase stability. De Fontaine can be reached at the Department of Materials Science and Mineral Engineering, 577 Evans Hall, University of California, Berkeley, CA 94720; phone 510-642-8177; fax 510-643-6629; e-mail ddf@isis.berkeley.edu

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de Fontaine, D. From Gibbsian Thermodynamics to Electronic Structure: Nonempirical Studies of Alloy Phase Equilibria. MRS Bulletin 21, 16–25 (1996). https://doi.org/10.1557/S0883769400035661

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