Abstract
Hydrogen embrittlement of steels is directly linked to hydrogen diffusion and trapping in the microstructure, which can hardly be precisely measured by modern experimental techniques. A phase-field model, in which a chemical potential well of hydrogen in the grain boundaries is introduced, is proposed to simulate hydrogen diffusion and trapping in the polycrystalline iron. It was interestingly found that grain boundaries, as connected trap sites, have a complex influence on the effective diffusivity of hydrogen, which are strongly linked to grain boundary diffusivity and binding energy.
References
R.A. Oriani, Annu. Rev. Mater. Sci. 8, 327 (1978)
I.M. Robertson, P. Sofronis, A. Nagao, M.L. Martin, S. Wang, D.W. Gross, K.E. Nygren, Metall. Mater. Trans. A 46, 2323 (2015)
D. Pérez Escobar, C. Miñambres, L. Duprez, K. Verbeken, M. Verhaege, Corros. Sci. 53, 3166 (2011)
D.E. Jiang, E.A. Carter, Acta Mater. 52, 4801 (2004)
H.K. Birnbaum, P. Sofronis, Mater. Sci. Eng. A 176, 191 (1994)
M. Koyama, D. Yamasaki, T. Nagashima, C.C. Tasan, K. Tsuzaki, Scripta Mater. 129, 48 (2017)
D. Pérez Escobar, T. Depover, L. Duprez, K. Verbeken, M. Verhaege, Acta Mater. 60, 2593 (2012)
R.A. Oriani, Acta Metall. 18, 147 (1970)
A. McNabb, P.K. Foster, Trans. Metall. Soc. AIME 227, 618 (1963)
G.R. Caskey, W.L. Pillinger, Metall. Trans. A 6, 467 (1975)
L. Vecchi, H. Simillion, R. Montoya, D. Van Laethem, E. Van den Eeckhout, K. Verbeken, H. Terryn, J. Deconinck, Y. Van Ingelgem, Electrochim. Acta 262, 57 (2018)
E.I. Galindo-Nava, B.I.Y. Basha, P.E.J. Rivera-Díaz-del-Castillo, J. Mater. Sci. Technol. 33, 1433 (2017)
M. Enomoto, Int. J. Hydrogen Energy 42, 10579 (2017)
Y.A. Du, L. Ismer, J. Rogal, T. Hickel, J. Neugebauer, R. Drautz, Phys. Rev. B 84, 144121 (2011)
S. Huang, D. Chen, J. Song, D.L. McDowell, T. Zhu, NPJ Comput. Mater. 3, 28 (2017)
N. Yazdipour, A.J. Haq, K. Muzaka, E.V. Pereloma, Comput. Mater. Sci. 56, 49 (2012)
J. Deng, D. Morgan, I. Szlufarska, Comput. Mater. Sci. 93, 36 (2014)
B. Osman Hoch, A. Metsue, J. Bouhattate, X. Feaugas, Comput. Mater. Sci. 97, 276 (2015)
M. Militzer, M. Mecozzi, J. Sietsma, S. Vanderzwaag, Acta Mater. 54, 3961 (2006)
M.G. Mecozzi, J. Sietsma, S. van der Zwaag, Acta Mater. 54, 1431 (2006)
T.W. Heo, S. Bhattacharyya, L.Q. Chen, Acta Mater. 59, 7800 (2011)
N. Ma, S.A. Dregia, Y. Wang, Acta Mater. 51, 3687 (2003)
B. Sundman, J. Ågren, J. Phys. Chem. Solids 42, 297 (1981)
K.H. Kim, J.H. Shim, B.J. Lee, Int. J. Hydrogen Energy 37, 7836 (2012)
P.A. Gustafson, Scand. J. Metall. 14, 259 (1985)
J.W. Cahn, J.E. Hilliard, J. Chem. Phys. 28, 258 (1958)
D. Fan, L.Q. Chen, Acta Mater. 45, 611 (1997)
J. Völkl, G. Alefeld, Hydrogen Met. I, 321 (1978)
A.M. Brass, A. Chanfreau, Acta Mater. 44, 3823 (1996)
T.M. Harris, R.M. Latanision, Metall. Trans. A 22, 351 (1991)
A. Oudriss, J. Creus, J. Bouhattate, E. Conforto, C. Berziou, C. Savall, X. Feaugas, Acta Mater. 60, 6814 (2012)
S.M. Teus, V.F. Mazanko, J.M. Olive, V.G. Gavriljuk, Acta Mater. 69, 105 (2014)
K. Ichitani, M. Kanno, Sci. Technol. Adv. Mater. 4, 545 (2003)
W.Y. Choo, J.Y. Lee, Metall. Trans. A 13, 135 (1982)
K. Ono, M. Meshii, Acta Metall. Mater. 40, 1357 (1992)
J. McBreen, L. Nonis, W. Beck, J. Electrochem. Soc. 113, 1218 (1966)
Acknowledgements
Jie Su acknowledges the financial support by the National Key R&D program of China (No. 2016YFB0300104). Hao Chen acknowledges the financial support by the Beijing Natural Science Foundation (No. 2182024), the National Natural Science Foundation of China (Grant Nos. 51501099 and U1764252) and the National Young 1000-Talents Program (No. D1101073).
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Zhang, J., Su, J., Zhang, B. et al. Phase-Field Modeling of Hydrogen Diffusion and Trapping in Steels. Acta Metall. Sin. (Engl. Lett.) 34, 1421–1426 (2021). https://doi.org/10.1007/s40195-021-01241-1
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DOI: https://doi.org/10.1007/s40195-021-01241-1