The multiple hydrogen location near a α-Fe vacancy

Journal of Physics and Chemistry of Solids

Volumn 66, Issue 7, 2005, Pages 1240-1246

  Simonetti, S ^a   Pistonesi, C ^a   Juan, A ^a   Brizuela, G ^a  

^a UNIVERSIDAD NACIONAL DEL SUR   (Argentina)

Author keywords

Embrittlement; Hydrogen; Iron; Vacancy

Indexed keywords

ABSORPTION; AGGLOMERATION; CHEMICAL BONDS; ELECTRON ENERGY LEVELS; EMBRITTLEMENT; HYDROGEN; IRON; MATHEMATICAL MODELS;

ATOM SUPERPOSITION AND ELECTRON DELOCALIZATION MOLECULAR ORBITAL; ATOMIC ORBITALS; DECOHESION; VACANCIES;

ELECTRONIC STRUCTURE;

EID: 23844463862     PISSN: 00223697     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jpcs.2005.04.004     Document Type: Article

References (32)

1. J. Chene, and A. Brass Scripta. Mater. 40 1999 537
2. A. Brass J. Chem. J. Phys. IV 9 1999 165
3. A. Brass J. Chem. Mater. Sci. Eng. A 242 1998 210
4. A. Krom, R. Koers, and A. Bakker J. Mech. Phys. Solids 47 1999 971
5. R. Oriani Ann. Rev. Mater. Sci. 8 1978 327
6. J. Hirth, and B. Carnaham Acta Metall. 26 1978 1795
7. A. Kumnick, and H. Johnson Acta Metall. 28 1981 33
8. N. Moody A. Thompson Hydrogen Effect on Material Behavior 1990 The Minerals, Metals and Materials Society Warrendale, PA
9. Y. Fukai U. Gonser The Metal Hydrogen System, Springer Series in Material Sciences vol. 21 1993 Springer Berlin
10. A. Borruto, T. Borruto, and A. Spada Int. J. Hydrogen Energy 24 1999 651
11. R. Wiswall G. Alefeld J. Völk Hydrogen in Metals II, Springer Series in Materials Sciences 1978 Springer Berlin
12. R. Kirchheim E. Fromm E. Wicke Procceding of the international symposium on metal-hydrogen systems: fundamentals and applications Z. Phys. Chem. N. F. 1989 163 164
13. G. Sandrock Y. Yürüm Hydrogen Energy System 1995 Kluwer Netherlands
14. K. Wilson, and A. Pontau J. Nucl. Mater. 85 1979 898
15. M. Naguno ISIJ Int. 41 2001 590 and reference therein
16. Z. Hu, S. Fukuyama, K. Yokogawa, and S. Okamoto Modell. Simul. Mater. Sci. Eng. 7 1999 541
17. A. Juan, and R. Hoffmann Surf. Sci. 421 1999 1
18. C. Pistonesi, A.J. Garcia, G. Brizuela, and A. Juan J. Phys. D 31 1998 588
19. A. Juan, C. Pistonesi, A.J. Garcia, and G. Brizuela Int. J. Hydrogen Energy 28 2003 995
20. Y. Tateyama, and T. Ohno Phys. Rev. B 67 2003 174105
21. F. Besembacher, S.M. Myers, P. Nordlander, and J.K. Nörskov J. Appl. Phys. 61 1989 1788
22. P. Nordlander, J.K. Nörskov, F. Besembacher, and S.M. Myers Phys. Rev. B 40 1989 1991
23. R. Hoffmann, and W.N. Lipscom J. Chem. Phys. 36 1962 2179
24. R. Hoffmann J. Chem. Phys. 39 1963 1397
25. M.H. Whangbo, and R. Hoffmann J. Am. Chem. Soc. 100 1978 6093
26. A. Anderson J. Chem. Phys. 62 1975 1187
27. G. Landrum, and W. Glassey Yet Another extended Hückel Molecular Orbital Package, (YAeHMOP) 2001 Cornell University Ithaca, NY
28. A. Anderson, and R. Hoffmann J. Chem. Phys. 60 1974 4271
29. A. Anderson J. Electroanal. Chem. Interfacial Electrochem. 280 1 1990 37
30. N.W. Ashcroft, and N.D. Mermin Solid State Physics 1976 Saunders College Philadelphia
31. Y. Fukai, and N. Okuma Jpn. J. Appl. Phys., Part 2 32 1993 L1256
32. M.I. Wamoto, and Y. Fukai Mater. Trans., JIM 40 1999 606