Ab initio study of the solubility and kinetics of hydrogen in austenitic high Mn steels

Physical Review B - Condensed Matter and Materials Physics

Volumn 81, Issue 9, 2010, Pages

  Ismer, L ^a,b   Hickel, T ^a   Neugebauer, J ^a  

^a MAX PLANCK INSTITUT FÜR EISENFORSCHUNG GMBH   (Germany)

^b University of California   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 77954909358     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.81.094111     Document Type: Article

References (37)

1. G. Frommeyer and U. Brüx, Steel Res. Int. 77, 627 (2006).
2. S. Allain, J. P. Chateau, and O. Bouaziz, Mater. Sci. Eng., A 387-389, 143 (2004). 10.1016/j.msea.2004.01.060
3. G. Frommeyer, U. Bruex, and P. Neumann, ISIJ Int. 43, 438 (2003). 10.2355/isijinternational.43.438
4. O. Grässel, L. Küger, G. Frommeyer, and L. W. Meyer, Int. J. Plast. 16, 1391 (2000). 10.1016/S0749-6419(00)00015-2
5. Y. Tomota, M. Strum, and J. W. Morris, Metall. Trans. A 17, 537 (1986). 10.1007/BF02643961
6. Y. G. Kim, J. M. Han, and J. S. Lee, Mater. Sci. Eng., A 114, 51 (1989). 10.1016/0921-5093(89)90844-7
7. W. Godoi, N. K. Kuomoto, A. S. Guimaraes, and C. M. Lepienski, Mater. Sci. Eng., A 354, 251 (2003). 10.1016/S0921-5093(03)00014-5
8. H. Uhlig, Trans. Am. Inst. Min., Metall. Pet. Eng. 158, 183 (1944).
9. S. Mittal, R. C. Prasad, and M. B. Deshmunkh, ISIJ Int. 35, 302 (1995). 10.2355/isijinternational.35.302
10. S. Fukuyama, D. S. Sun, L. Zhang, M. Wen, and K. Yokogawa, J. Jpn. Inst. Met. 67, 456 (2003).
11. L. W. Tsay, S. C. Yu, and R.-T. Huang, Corros. Sci. 49, 2973 (2007). 10.1016/j.corsci.2007.01.008
12. E. A. Steigerwald, F. W. Schaller, and A. R. Troiano, T. Am. I. Min. Met. Eng. 218, 832 (1960).
13. A. Inoue, Y. Hosoya, and T. Masumoto, Trans. Iron Steel Inst. Jpn. 19, 170 (1979).
14. H. K. Birnbaum and P. Sofronis, Mater. Sci. Eng., A 176, 191 (1994). 10.1016/0921-5093(94)90975-X
15. T. Michler and J. Naumann, Int. J. Hydrogen Energy 33, 2111 (2008). 10.1016/j.ijhydene.2008.02.021
16. Environmental Degradation of Enegineering Materials in Hydrogen, edited by, G. R. Caskey, M. R. Louthean, R. F. McNitt, and, R. D. Sisson, (Virginia Polytechnical Institute, Blacksburg, VA, 1981).
17. C. S. Marchi, B. P. Somerday, X. Tang, and G. H. Schiroky, Int. J. Hydrogen Energy 33, 889 (2008). 10.1016/j.ijhydene.2007.10.046
18. V. G. Gavriljuk, V. N. Shivanyuk, and J. Foct, Acta Mater. 51, 1293 (2003). 10.1016/S1359-6454(02)00524-4
19. Y. Tan, D. H. Zhou, and J. Feng, Acta Metall. Sin. (Engl. Lett.) 10, 228 (1997).
20. C. S. Becquart, C. Domain, and J. Foct, Philos. Mag. 85, 533 (2005). 10.1080/02678370412331320152
21. C. Domain, C. S. Becquart, and J. Foct, Phys. Rev. B 69, 144112 (2004). 10.1103/PhysRevB.69.144112
22. S. Simonetti, M. E. Pronsato, G. Brizuela, and A. Juan, Phys. Status Solidi B 244, 610 (2007). 10.1002/pssb.200642410
23. T. Yu, L.-Q. Chen, C.-Y. Wang, Z.-C. Qiu, and J.-P. Du, Chin. Sci. Bull. 53, 1796 (2008). 10.1007/s11434-008-0256-y
24. D. E. Jiang and E. A. Carter, Phys. Rev. B 67, 214103 (2003). 10.1103/PhysRevB.67.214103
25. S. M. Teus, V. N. Shivanyuk, B. D. Shanina, and V. G. Gavriljuk, Phys. Status Solidi A 204, 4249 (2007). 10.1002/pssa.200723249
26. J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais, Phys. Rev. B 46, 6671 (1992). 10.1103/PhysRevB.46. 6671
27. P. E. Blöchl, Phys. Rev. B 50, 17953 (1994). 10.1103/PhysRevB.50. 17953
28. G. Kresse and J. Furthmüller, Phys. Rev. B 54, 11169 (1996). 10.1103/PhysRevB.54.11169
29. C. Lorenz and R. Ziff, J. Phys. A 31, 8147 (1998). 10.1088/0305-4470/31/ 40/009
30. This energy difference is small and smaller/comparable to the thermal energy (k B T) where the local structure in the austenite is frozen in. The distribution of the Mn atoms in the steel matrix is therefore entropy rather than energy driven, resulting in a disordered structure consistent with experimental observations and with the formation of percolation chains.
31. Y. Tsunoda, J. Phys.: Condens. Matter 1, 10427 (1989). 10.1088/0953-8984/1/51/015
32. O. N. Mryasov, A. I. Liechtenstein, L. M. Sandratskii, and V. A. Gubanov, J. Phys.: Condens. Matter 3, 7683 (1991). 10.1088/0953-8984/3/39/013
33. M. Körling and J. Ergon, Phys. Rev. B 54, R8293 (1996). 10.1103/PhysRevB.54.R8293
34. S. Fujii, S. Ishida, and S. Asano, J. Phys. Soc. Jpn. 60, 4300 (1991). 10.1143/JPSJ.60.4300
35. V. T. Witusiewicz, F. Sommer, and E. J. Mittemeijer, Metall. Mater. Trans. B 34, 209 (2003). 10.1007/s11663-003-0008-y
36. E. Sjöstedt and L. Nordström, Phys. Rev. B 66, 014447 (2002). 10.1103/PhysRevB.66.014447
37. A. San-Martin and F. D. Manchester, Bull. Alloy Phase Diagrams 11, 173 (1990). 10.1007/BF02841704