Effect of alloying additions on the hydrogen-induced grain boundary embrittlement in iron

Journal of Physics Condensed Matter

Volumn 23, Issue 1, 2011, Pages

  Tian, Z X ^a   Yan, J X ^b   Hao, W ^a   Xiao, W ^a  

^a UNIVERSITY OF SCIENCE AND TECHNOLOGY BEIJING   (China)

^b NANYANG TECHNOLOGICAL UNIVERSITY   (Singapore)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; ALLOYING ADDITIONS; DENSITY FUNCTIONAL THEORY CALCULATIONS; GRAIN BOUNDARY EMBRITTLEMENT; IMPURITY CONCENTRATION; LARGE UNIT CELL; LOW IMPURITY CONCENTRATIONS;

ALLOYING; ALLOYING ELEMENTS; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; GRAIN BOUNDARIES; GRAIN SIZE AND SHAPE; PALLADIUM;

HYDROGEN EMBRITTLEMENT;

EID: 78651503263     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/23/1/015501     Document Type: Article

References (30)

1. Lee D Y, Barrera E V, Stark J P and Marcus H L 1984 Metall. Trans. A 15 1415
2. Geng W T, Freeman A J, Wu R and Olson G B 2000 Phys. Rev. B 62 6208
3. Geng W T, Freeman A J and Olson G B 2001 Phys. Rev. B 63 165415
4. Zhong L P, Wu R Q, Freeman A J and Olson G B 1997 Phys. Rev. B 55 11133
5. Grabke H J, Hennesen K, Moller R and Wei W 1987 Scr. Metall. 21 1329
6. van der Schaaf B, Tavassoli F, Fazio C, Rigal E, Diegele E, Lindau R and LeMarois G 2003 Fusion Eng. Des. 69 197
7. Geng W T, Freeman A J and Olson G B 2001 Solid State Commun. 119 585
8. Sugano R, Morishita K, Iwakiri H and Yoshida N 2002 J. Nucl. Mater. 307 941
9. Stahl B, Kankeleit E and Walter G 2003 Nucl. Instrum. Methods Phys. Res. B 211 227
10. Kimura A and Kimura H 1986 Mater. Sci. Eng. 77 75
11. Hirth J P and Johnson H H 1976 Corrosion 32 3
12. Tateyama Y and Ohno T 2003 Phys. Rev. B 67 174105
13. Lee S C, Choi J H and Lee J G 2009 J. Nucl. Mater. 383 244
14. Jiang B, Wan F R and Geng W T 2010 Phys. Rev. B 81 134112
15. Wilde B E, Chattoraj I and Mozhi T A 1987 Scr. Metall. 21 1369
16. Lumsden J B, Wilde B E and Stocker P J 1983 Scr. Metall. 17 971
17. Rice J R and Wang J S 1989 Mater. Sci. Eng. A 107 23
18. Janisch R and Elsässer C 2009 Int. J. Mater. Res. 100 1488
19. Wachowicz E and Kiejna A 2008 Comput. Mater. Sci. 43 736
20. Geng W T, Freeman A J, Wu R, Geller C B and Raynolds J E 1999 Phys. Rev. B 60 7149
21. Wu R Q, Freeman A J and Olson G B 1994 Science 265 376
22. Zhong L P, Wu R Q, Freeman A J and Olson G B 2000 Phys. Rev. B 62 13938
23. Shang J X and Wang C Y 2001 J. Phys.: Condens. Matter 13 9635
24. Janisch R and Elsässer C 2003 Phys. Rev. B 67 224101
25. Kresse G and Furthmuller J 1996 Comput. Mater. Sci. 6 15
26. Kresse G and Furthmuller J 1996 Phys. Rev. B 54 11169
27. Blochl P E 1994 Phys. Rev. B 50 17953
28. Kresse G and Joubert D 1999 Phys. Rev. B 59 1758
29. Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
30. Tian Z X, Xiao W, Wan F R and Geng W T 2010 J. Nucl. Mater. at press