Hydrogen-enhanced local plasticity at dilute bulk H concentrations: The role of H-H interactions and the formation of local hydrides

Acta Materialia

Volumn 59, Issue 8, 2011, Pages 2969-2980

  Von Pezold, Johann ^a   Lymperakis, Liverios ^a   Neugebeauer, Jörg ^a  

^a MAX PLANCK INSTITUT FÜR EISENFORSCHUNG GMBH   (Germany)

Author keywords

Ab initio electron theory; Hydrogen embrittlement; Modeling; Monte Carlo technique

Indexed keywords

AB INITIO ELECTRON THEORY; AB-INITIO ELECTRONIC STRUCTURE CALCULATIONS; DISLOCATION INTERACTION; DISLOCATION LINES; DISLOCATION PILEUP; EMBEDDED-ATOM METHOD POTENTIALS; FACE-CENTERED CUBIC METALS; GLIDE PLANES; HIERARCHICAL APPROACH; HOST MATRICES; HYDRIDE PHASE; LATTICE-GAS; LOCAL PLASTICITY; METAL MATRICES; MODEL SYSTEM; MODELING; MONTE CARLO TECHNIQUES; SEMI-EMPIRICAL; SHIELDING EFFECT; SLIP PLANE; STRESS SHIELDING; TENSILE STRAIN FIELDS;

CALCULATIONS; CONCENTRATION (PROCESS); EDGE DISLOCATIONS; ELECTRONIC STRUCTURE; HAMILTONIANS; HYDROGEN; MOLECULAR DYNAMICS; MONTE CARLO METHODS; PLASTICITY; SHEAR FLOW; SHIELDING; TENSILE STRAIN;

HYDROGEN EMBRITTLEMENT;

EID: 79953209988     PISSN: 13596454     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.actamat.2011.01.037     Document Type: Article

References (42)

1. S.M. Myers Rev Mod Phys 64 1992 559
2. D. Shih, I.M. Robertson, and H.K. Birnbaum Acta Metall 36 1988 111
3. R.A. Orani, and P.H. Josephic Acta Metall 22 1974 1065
4. H.K. Birnbaum, and P. Sofronis Mater Sci Eng A176 1994 191
5. J.P. Chateau, D. Delafosse, and T. Magnin Acta Mater 50 2002 1507
6. G.M. Bond, I.M. Robertson, and H.K. Birnbaum Acta Metall 36 1988 2193
7. I.M. Robertson, and H.K. Birnbaum Acta Metall 34 1986 353
8. T. Tabata, and H.K. Birnbaum Scripta Metall 17 1984 947
9. G. Lu, Q. Zhang, N. Kioussis, and E. Kaxiras Phys Rev Lett 87 2001 095501
10. J.P. Chateau, D. Delafosse, and T. Magnin Acta Mater 50 2002 1523
11. I.M. Maxelon, A. Pundt, W. Pyckhout-Hintzen, J. Barker, and R. Kirchheim Acta Mater 49 2001 2625
12. J.P. Perdew, K. Burke, and M. Ernzerhof Phys Rev Lett 77 1996 3865
13. G. Kresse, and J. Furthmüller Comput Mater Sci 6 1996 15
14. G. Kresse, and J. Furthmüller J Phys Rev B 54 1996 11169
15. P.E. Blöchl Phys Rev B 50 1994 17953
16. H.J. Monkhorst, and J.D. Pack Phys Rev B 13 1976 5188
17. M. Methfessl, and A.T. Paxton Phys Rev B 40 1989 3616
18. J. Stadler, R. Mikulla, and H.-R. Trebin Int J Mod Phys C 8 1997 1131
19. J.E. Angelo, N.R. Moody, and M.I. Baskes Model Simul Mater Sci Eng 3 1995 289
20. M.I. Baskes, X. Sha, J.E. Angelo, and N.R. Moody Model Simul Mater Sci Eng 5 1997 651
21. S.M. Filipek J Adv Sci 19 2007 1
22. J. Song, and W. Curtin Acta Mater 59 2011 1557
23. M.S. Blanter Phys Stat Sol (b) 200 1997 423
24. G. Voronoi Reine Angew Math 134 1908 199
25. C.B. Carter, and S.M. Holmes Philos Mag 35 1977 1161
26. C.G. Van de Walle, and J. Neugebauer J Appl Phys 95 2004 3851
27. J.P. Hirth, and J. Lothe Theory of dislocations 2nd ed. 1982 John Wiley New York
28. In this context it is noted that the dependence of γ on the H concentration was determined assuming that the preference of H for the Oh site is maintained in the stacking fault. This assumption is in line with the prescribed site preference in the MC simulation.
29. M. Peach, and J.S. Koehler Phys Rev 80 1950 436
30. D.H. Tsai J Chem Phys 70 1979 1375
31. R. Kirchheim Acta Metall 29 1981 835
32. R. Kirchheim Acta Metall 29 1981 845
33. J.A. Rodrigues, and R. Kirchheim Scripta Metall 17 1983 159
34. B.J. Heuserm, T.J. Udovic, and H. Ju Phys Rev B 78 2008 214101
35. R. Caputo, and A. Alavi Mol Phys 101 2003 1781
36. O.B. Christensen, P.D. Ditlevsen, K.W. Jacobsen, P. Stoltze, O.H. Nielsen, and J.K. Nørskov Phys Rev B 40 1989 1993
37. W.A. McInteer, A.W. Thompson, and I.M. Bernstein Acta Metall 28 1980 887
38. P.J. Ferreira, I.M. Robertson, and H.K. Birnbaum Acta Mater 46 1998 1749
39. P.J. Ferreira, I.M. Robertson, and H.K. Birnbaum Acta Mater 47 1999 2991
40. V.I. Sarrak Metal Sci Heat Treat 19 1977 656
41. Y. Shizuku, S. Yamamoto, and Y. Fukai J Alloys Compd 336 2002 159
42. Y. Fukai, S. Yamamoto, S. Harada, and M. Kanazawa J Alloys Compd 372 2004 L4