Atomic mechanism and prediction of hydrogen embrittlement in iron

Nature Materials

Volumn 12, Issue 2, 2013, Pages 145-151

  Song, Jun ^a   Curtin, W A ^b  

^a MCGILL UNIVERSITY   (Canada)

^b EPFL   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC MECHANISM; ATOMIC SCALE; DIRECT MOLECULAR DYNAMICS; DISLOCATION EMISSIONS; DUCTILE-TO-BRITTLE TRANSITION; EMBRITTLEMENT MECHANISMS; H DIFFUSION; KINETIC MODELS; LOADING CONDITION; MECHANICAL LOADING; PHYSICAL MECHANISM; SLOW CRACK GROWTH; STRUCTURAL COMPONENT;

CRACK TIPS; EXPERIMENTS; MOLECULAR DYNAMICS; STRUCTURAL METALS;

LOADING;

EID: 84872981220     PISSN: 14761122     EISSN: 14764660     Source Type: Journal    
DOI: 10.1038/nmat3479     Document Type: Article

References (48)

1. Johnson, W. H. On some remarkable changes produced in iron and steels by the action of hydrogen acids. Proc. R. Soc. Lond. 23, 168-175 (1875).
2. Fukai, Y. The Metal-Hydrogen System: Basic Bulk Properties 2nd edn (Springer, 2005).
3. Hardie, D., Charles, E. A. & Lopez, A. H. Hydrogen embrittlement of high strength pipeline steels. Corros. Sci. 48, 4378-4385 (2006).
4. Staehle, R. W. in Stress Corrsosion Cracking and Hydrogen Embrittlement of Iron Based Alloys (eds Hochmann, J., McCright, R. D. & Slater, J. E.) (National Association of Corrosion Engineers, 1977).
5. Troiano, A. R. The role of hydrogen and other interstitials in the mechanical behavior of metals. Trans. ASM 52, 54-80 (1960).
6. Oriani, R. A. A mechanistic theory of hydrogen embrittlement of steels. Ber. Bunsenges. Phys. Chem. 76, 848-857 (1972).
7. Jiang, D. E. & Carter, E. A. First principles assessment of ideal fracture energies of materials with mobile impurities: Implications for hydrogen embrittlement of metals. Acta Mater. 52, 4801-4807 (2004).
8. Gerberich, W. W., Oriani, R. A., Lii, M. J., Chen, X. & Foecke, T. The necessity of both plasticity and brittleness in the fracture thresholds of iron. Phil. Mag. A 63, 363-376 (1991).
9. Song, J., Soare, M. & Curtin, W. A. Testing continuum concepts for hydrogen embrittlement in metals using atomistics. Model Simul. Mater. Sci. 18, 045003 (2010).
10. Chen, X. & Gerberich, W. W. The kinetics and micromechanics of hydrogen-assisted cracking in Fe3 pct Si single-crystals. Metall. Trans. A 22, 59-69 (1991).
11. Beacham, C. D. A new model for hydrogen-assisted cracking (hydrogen 'embrittlement'). Metall. Mater. Trans. B 3, 441-455 (1972).
12. Birnbaum, H. K. & Sofronis, P. Hydrogen-enhanced localized plasticity-a mechanism for hydrogen-related fracture. Mater. Sci. Eng. A 176, 191-202 (1994).
13. Robertson, I. M. The effect of hydrogen on dislocation dynamics. Eng. Fract. Mech. 68, 671-692 (2001).
14. Ferreira, P. J., Robertson, I. M. & Birnbaum, H. K. Hydrogen effects on the interaction between dislocations. Acta Mater. 46, 1749-1757 (1998).
15. Sofronis, P. & Robertson, I. M. Transmission electron microscopy observations and micromechanical/continuum models for the effect of hydrogen on the mechanical behaviour of metals. Phil. Mag. A 82, 3405-3413 (2002).
16. Abraham, D. P. & Altstetter, C. J. Hydrogen-enhanced localization of plasticity in an austenitic stainless-steel. Metall. Mater. Trans. A 26, 2859-2871 (1995).
17. Abraham, D. P. & Altstetter, C. J. The effect of hydrogen on the yield and flow-stress of an austenitic stainless-steel. Metall. Mater. Trans. A 26, 2849-2858 (1995).
18. Asano, S. & Otsuka, R. Lattice hardening due to dissolved hydrogen in iron and steel. Scr. Metall. Mater. 10, 1015-1020 (1976).
19. Matsumoto, R., Taketomi, S., Matsumoto, S. & Miyazaki, N. Atomistic simulations of hydrogen embrittlement. Int. J. Hydrogen Energy 34, 9576-9584 (2009).
20. Taketomi, S., Matsumoto, R. & Miyazaki, N. Atomistic study of the effect of hydrogen on dislocation emission from a mode II crack tip in alpha iron. Int. J. Mech. Sci. 52, 334-338 (2010).
21. Hu, Z., Fukuyama, S., Yokogawa, K. & Okamoto, S. Hydrogen embrittlement of a single crystal of iron on a nanometre scale at a crack tip by molecular dynamics. Model Simul. Mater. Sci. 7, 541-551 (1999).
22. Wen, M., Fukuyama, S. & Yokogawa, K. Atomistic simulations of effect of hydrogen on kink-pair energetics of screw dislocations in bcc iron. Acta Mater. 51, 1767-1773 (2003).
23. Xu, X. J., Wen, M., Hu, Z., Fukuyama, S. & Yokogawa, K. Atomistic process on hydrogen embrittlement of a single crystal of nickel by the embedded atom method. Comput. Mater. Sci. 23, 131-138 (2002).
24. Von Pezold, J., Lymperakis, L. & Neugebauer, J. Hydrogen-enhanced local plasticity at dilute bulk H concentrations: The role of H-H interactions and the formation of local hydrides. Acta Mater. 59, 2969-2980 (2011); 59, 5868 (2011).
25. Chandler, M. Q. et al. Hydrogen effects on nanovoid nucleation in face-centered cubic single-crystals. Acta Mater. 56, 95-104 (2008).
26. Thomas, R. L. S., Scully, J. R.&Gangloff, R. P. Internal hydrogen embrittlement of ultrahigh-strength AERMET 100 steel. Metall. Mater. Trans. A 34, 327-344 (2003).
27. Hoover, W., Iannucci, J., Robinson, S., Spingarn, J. & Stoltz, R. Hydrogen compatibility of structural materials for energy storage and transmission Report No. SAND80-8202 (Sandia National Laboratories, 1980).
28. Cialone, H. & Holbrook, J. in Hydrogen Embrittlement: Prevention and Control, ASTM STP 962 (ed. Raymond, L) 134-152 (American Society for Testing and Materials, 1988).
29. San Marchi, C. & Somerday, B. Technical reference on hydrogen compatibility of materials Report No. SAND2008-1163 (Sandia National Laboratories, 2008).
30. Hoover, W., Robinson, S., Stoltz, R. & Spingarn, J. Hydrogen Compatibility of Structural Materials for Energy Storage and Transmission Final Report (Sandia National Laboratories, 1981).
31. Cherepanov, G. P. Mechanics of Brittle Fracture (McGraw-Hill, 1979).
32. Ramasubramaniam, A., Itakura, M., Ortiz, M. & Carter, E. A. Effect of atomic scale plasticity on hydrogen diffusion in iron: Quantum mechanically informed and on-the-fly kinetic Monte Carlo simulations. J. Mater. Res. 23, 2757-2773 (2008).
33. Hale, L. M. et al. Molecular dynamics simulation of delamination of a stiff, body-centered cubic crystalline film from a compliant Si substrate. J. Appl. Phys. 106 (2009).
34. Lynch, S. P. Environmentally assisted cracking-overview of evidence for an adsorption-induced localized-slip process. Acta Metall. Mater. 36, 2639-2661 (1988).
35. Friedel, J. Dislocations 1st English edn (Pergamon, 1964).
36. Song, J. & Curtin, W. A. A nanoscale mechanism of hydrogen embrittlement in metals. Acta Mater. 59, 1557-1569 (2011).
37. Vehoff, H. & Rothe, W. Overview 30 gaseous-hydrogen embrittlement in FeSi-single and Ni-single crystals. Acta Metall. Mater. 31, 1781-1793 (1983).
38. Alefeld, G. & Völkl, J. Hydrogen in Metals (Springer, 1978).
39. Plimpton, S. Fast parallel algorithms for short-range molecular-dynamics. J. Comput. Phys. 117, 1-19 (1995).
40. Hoover, W. G. Canonical dynamics-equilibrium phase-space distributions. Phys. Rev. A 31, 1695-1697 (1985).
41. Nose, S.Aunified formulation of the constant temperature molecular-dynamics methods. J. Chem. Phys. 81, 511-519 (1984).
42. Swope, W. C., Andersen, H. C., Berens, P. H. & Wilson, K. R. A computer-simulation method for the calculation of equilibrium-constants for the formation of physical clusters of molecules-application to small water clusters. J. Chem. Phys. 76, 637-649 (1982).
43. Finnis, M. W. & Sinclair, J. E. A simple empirical n-body potential for transition-metals. Phil. Mag. A 50, 45-55 (1984).
44. Daw, M. S. & Baskes, M. I. Embedded-atom method-derivation and application to impurities, surfaces, and other defects in metals. Phys. Rev. B 29, 6443-6453 (1984).
45. Babu, S. S. et al. Hydrogen Pipeline R&D, Project Review Meeting (Oak Ridge, 2005).
46. Luppo, M. I. & Ovejerogarcia, J. The influence of microstructure on the trapping and diffusion of hydrogen in a low-carbon steel. Corros. Sci. 32, 1125-1136 (1991).
47. Huang, H. & Shaw, W. J. D. Hydrogen embrittlement interactions in cold-worked steel. Corrosion 51, 30-36 (1995).
48. Bethlehem Steel Corporation Modern Steels and their Properties: Carbon and Alloy Steel Bars and Rods. (Bethlehem Steel Corporation, 1978).