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CALPHAD Modeling of Metal–Hydrogen Systems: A Review

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Abstract

A review of the metal–hydrogen systems modeled or investigated with the CALPHAD method is presented. The specific features of metal–hydrogen systems in relation with the CALPHAD modeling are detailed, and the problems and needs related to the description of such systems are highlighted.

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References

  1. G. Alefeld, J. Völkl, R.M. Cotts, K.W. Kehr, H. Kronmüller, H. Peisl, A. Seeger, K. Sköld, T. Springer, A.C. Switendick, F.E. Wagner, H. Wagner, W.E. Wallace, and G. Wortmann, Hydrogen in Metals I: Basic Properties, Topics in Applied Physics, Vol. 28 (Berlin, Germany: Springer, 1978).

    Google Scholar 

  2. G. Alefeld, J. Völkl, B. Baranowski, H. Brodowsky, T. Schober, B. Stritzker, H. Wenzl., C.A. Wert, E. Wicke, H. Wipf, R. Wiswall, and H. Wühl, Hydrogen in Metals II: Application-Oriented Properties, Topics in Applied Physics, Vol. 29 (Berlin, Germany: Springer, 1978).

  3. Y. Fukai, The Metal-Hydrogen System, Springer Series in Materials Science, Vol. 21 (Berlin, Germany: Springer, 1992).

    Google Scholar 

  4. V. Güther and A. Otto, J. Alloys Compd. 293–295, 889 (1999).

    Article  Google Scholar 

  5. A. Léon, Hydrogen Technology (Berlin, Germany: Springer, 2008).

    Book  Google Scholar 

  6. J. Wellnitz, Int. J. Sustain. Des. 1, 93 (2008).

    Google Scholar 

  7. U. Eberle, M. Felderhoff, and F. Schüth, Angew. Chem. Int. Ed. 48, 6608 (2009).

    Article  Google Scholar 

  8. F. Cuevas, J.-M. Joubert, M. Latroche, and A. Percheron-Guégan, Appl. Phys. A72, 225 (2001).

    Google Scholar 

  9. J.-M. Joubert, M. Latroche, and A. Percheron-Guégan, MRS Bull. 27, 694 (2002).

    Article  Google Scholar 

  10. X. Zhao and L. Ma, Int. J. Hydrogen Energy 34, 4788 (2009).

    Article  Google Scholar 

  11. H.L. Lukas, S.G. Fries, and B. Sundman, Computational Thermodynamics, the Calphad Method (Cambridge, U.K.: Cambridge University Press, 2007).

    Book  MATH  Google Scholar 

  12. C. Qiu, G. Olson, S.M. Opalka, and D.L. Anton, J. Phase Equilib. Diffusion 25, 520 (2004).

    Google Scholar 

  13. J.-P. Harvey and P. Chartrand, Metall. Mater. Trans. B 41B, 908 (2010).

    Article  Google Scholar 

  14. C. Wang, J. Du, X. Kong, X. Zeng, J. Zou, Z. Li, and Z. Wu, Int. J. Hydrogen Energy 36, 13632 (2011).

    Article  Google Scholar 

  15. M. Wang, W. Sun, C. Sha, B. Hu, Y. Du, L. Sun, H. Xu, J. Wang, and S. Liu, J. Phase Equilib. Diffusion 33, 89 (2012).

    Article  Google Scholar 

  16. K.-H. Kim, J.-H. Shim, and B.-J. Lee, Int. J. Hydrogen Energy 37, 7836 (2012).

    Article  Google Scholar 

  17. W. Huang, S.M. Opalka, D. Wang, and T.B. Flanagan, CALPHAD 31, 315 (2007).

    Article  Google Scholar 

  18. A. Mascaro, C. Toffolon-Masclet, and J.-M. Joubert, CALPHAD, in press.

  19. M. Zinkevich, N. Mattern, A. Handstein, and O. Gutfleisch, J. Alloys Compd. 339, 118 (2002).

    Article  Google Scholar 

  20. M. Palumbo, J. Urgnani, D. Baldisson, L. Battezzati, and M. Barricco, CALPHAD 33, 162 (2009).

    Article  Google Scholar 

  21. E. Schürmann and R. Völker, Z. Metallkd. 78, 121 (1987).

    Google Scholar 

  22. A.D. Pelton, Z. Metallkd. 84, 767 (1993).

    Google Scholar 

  23. K. Zeng, T. Klassen, W. Oelerich, and R. Bormann, Int. J. Hydrogen Energy 24, 989 (1999).

    Article  Google Scholar 

  24. K. Bohmhammel, U. Wolf, G. Wolf, and E. Königsberger, Thermochim. Acta 337, 195 (1999).

    Article  Google Scholar 

  25. C. Qiu, S.M. Opalka, G.B. Olson, and D.L. Anton, Int. J. Mater. Res. 97, 845 (2006).

    Google Scholar 

  26. J. Wang, X. Zhao, Q. Huang, L. Wang, and J. Shen, J. Nucl. Mater. 412, 268 (2011).

    Article  Google Scholar 

  27. Kejun. Zeng, T. Klassen, W. Oelerich, and R. Bormann, J. Alloys Compd. 283, 151 (1999).

    Article  Google Scholar 

  28. J.-M. Joubert and S. Thiébaut, J. Nucl. Mater. 395, 79 (2009).

    Article  Google Scholar 

  29. J.-M. Joubert, Int. J. Hydrogen Energy 35, 2104 (2010).

    Article  Google Scholar 

  30. J.K. Kivilahti and J.M. Miettinen, CALPHAD 11, 187 (1987).

    Article  Google Scholar 

  31. E. Königsberger, G. Eriksson, and W.A. Oates, J. Alloys Compd. 299, 148 (2000).

    Article  Google Scholar 

  32. S. Ukita, H. Ohtani, and M. Hasebe, J. Jpn. Inst. Metals 71, 721 (2007).

    Article  Google Scholar 

  33. C. Qiu, S.M. Opalka, O.M. Løvvik, and G.B. Olson, CALPHAD 32, 624 (2008).

    Article  Google Scholar 

  34. K. Wang, X. Kong, J. Du, C. Li, Z. Li, and Z. Wu, CALPHAD 34, 317 (2010).

    Article  Google Scholar 

  35. S. Ukita, H. Ohtani, and M. Hasebe, Mater. Trans. 49, 2528 (2008).

    Article  Google Scholar 

  36. N. Dupin, I. Ansara, C. Servant, C. Toffolon, C. Lemaignan, and J.-C. Brachet, J. Nucl. Mater. 275, 287 (1999).

    Article  Google Scholar 

  37. J.-W. Jang, J.-H. Shim, Y.W. Cho, and B.-J. Lee, J. Alloys Compd. 420, 286 (2006).

    Article  Google Scholar 

  38. M. Palumbo, F.J. Torres, J.R. Ares, C. Pisani, J.F. Fernandez, and M. Baricco, CALPHAD 31, 457 (2007).

    Article  Google Scholar 

  39. B.-M. Lee, J.-W. Jang, J.-H. Shim, Y.W. Cho, and B.-J. Lee, J. Alloys Compd. 424, 370 (2006).

    Article  Google Scholar 

  40. A.R. Akbarzadeh, V. Ozolins, and C. Wolverton, Adv. Mater. 19, 3233 (2007).

    Article  Google Scholar 

  41. K. Zeng, T. Klassen, W. Oelerich, and R. Bormann, J. Alloys Compd. 283, 213 (1999).

    Article  Google Scholar 

  42. J. Wang, L. Wang, W. Chen, Q. Huang, and J. Shen, J. Nucl. Mater. 409, 47 (2011).

    Article  Google Scholar 

  43. J.-M. Joubert and S. Thiébaut, Acta Mater. 59, 1680 (2011).

    Article  Google Scholar 

  44. S. Ukita, H. Ohtani, and M. Hasebe, Adv. Mater. Res. 26–28, 989 (2007).

    Article  Google Scholar 

  45. B. Sundman and J. Ågren, J. Phys. Chem. Solids 42, 297 (1981).

    Article  Google Scholar 

  46. A.C. Switendick, Z. Phys. Chem. 117, 89 (1979).

    Article  Google Scholar 

  47. D.G. Westlake, J. Less-Common Metals 90, 251 (1983).

    Article  Google Scholar 

  48. M. Hillert, Phase equilibria, phase diagrams and phase transformations: their thermodynamic basis, 2nd ed. (Cambridge, U.K.: Cambridge University Press, 2008).

    MATH  Google Scholar 

  49. B. Sundman and P. Shi, SGTE Pure Element Database, version 4.4, (Stockholm, Sweden: Thermo-Calc Software, 2002).

  50. G. Sicking, J. Less-Common Metals 101, 169 (1984).

    Article  Google Scholar 

  51. K. Miwa and A. Fukumoto, Phys. Rev. B 65, 155114 (2002).

    Article  Google Scholar 

  52. H. Smithson, C.A. Marianetti, D. Morgan, A. Van der Ven, A. Predith, and G. Ceder, Phys. Rev. B 66, 144107 (2002).

    Article  Google Scholar 

  53. J.-M. Joubert and J.-C. Crivello, Int. J. Hydrogen Energy 37, 4246 (2012).

    Article  Google Scholar 

  54. J.-H. Shim, Y.-S. Lee, E. Fleury, Y.W. Cho, W.S. Ko, and B.-J. Lee, CALPHAD 35, 302 (2011).

    Article  Google Scholar 

  55. A. Zunger, S.-H. Wei, L.G. Ferreira, and J.E. Bernard, Phys. Rev. Lett. 65, 353 (1990).

    Article  Google Scholar 

  56. T. Mohri and W.A. Oates, J. Alloys Compd. 330–332, 14 (2002).

    Article  Google Scholar 

  57. T. Mohri and W.A. Oates, Mater. Trans. 43, 2656 (2002).

    Article  Google Scholar 

  58. T. Mohri, J. Phase Equilib. Diffusion 28, 72 (2007).

    Article  Google Scholar 

  59. M. Pozzo and D. Alfè, Phys. Rev. B77, 104103 (1–8) (2008).

  60. T.B. Flanagan, W. Luo, and J.D. Clewley, J. Less-Common Metals 172–174, 42 (1991).

    Article  Google Scholar 

  61. M.P. Pitt, E. Gray, and A. Mac, Europhys. Lett. 64, 344 (2003).

    Article  Google Scholar 

  62. J.-M. Joubert, CALPHAD 26, 419 (2002).

    Article  Google Scholar 

  63. Y.W. Cho, J.-H. Shim, and B.-J. Lee, CALPHAD 30, 65 (2006).

    Article  Google Scholar 

  64. W.A. Oates, J.A. Lambert, and P.T. Gallagher, Trans. Metall. Soc. AIME 245, 47 (1969).

    Google Scholar 

  65. M. Baricco, M. Palumbo, E. Pinatel, M. Corno, and P. Ugliengo, Adv. Sci. Technol. 72, 213 (2010).

    Article  Google Scholar 

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  1. Chimie Métallurgique des Terres Rares (CMTR), Institut de Chimie et des Matériaux Paris-Est (ICMPE), CNRS, Université Paris-Est Créteil, 94320, Thiais Cedex, France

    J.-M. Joubert

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Joubert, JM. CALPHAD Modeling of Metal–Hydrogen Systems: A Review. JOM 64, 1438–1447 (2012). https://doi.org/10.1007/s11837-012-0462-6

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  • DOI: https://doi.org/10.1007/s11837-012-0462-6

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