Effect of lateral contraction and magnetism on the energy release upon fracture in metals: First-principles computational tensile tests

Physical Review B - Condensed Matter and Materials Physics

Volumn 79, Issue 14, 2009, Pages

  Tian, Z X ^a   Yan, J X ^a   Xiao, W ^a   Geng, W T ^a  

^a UNIVERSITY OF SCIENCE AND TECHNOLOGY BEIJING   (China)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 67650340137     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.79.144114     Document Type: Article

References (51)

1. C. L. Briant and S. K. Banerji, in Embrittlement of Engineering Alloys, edited by, C. L. Briant, and, S. K. Banerji, (Academic Press, New York, 1983), p. 21.
2. J. R. Rice and J. S. Wang, Mater. Sci. Eng., A 107, 23 (1989). 10.1016/0921-5093(89)90372-9
3. R. Wu, A. J. Freeman, and G. B. Olson, Science 265, 376 (1994). 10.1126/science.265.5170.376
4. R. Wu, A. J. Freeman, and G. B. Olson, Phys. Rev. B 53, 7504 (1996). 10.1103/PhysRevB.53.7504
5. L. Zhong, R. Wu, A. J. Freeman, and G. B. Olson, Phys. Rev. B 55, 11133 (1997). 10.1103/PhysRevB.55.11133
6. L. Zhong, R. Wu, A. J. Freeman, and G. B. Olson, Phys. Rev. B 62, 13938 (2000). 10.1103/PhysRevB.62.13938
7. W. T. Geng, A. J. Freeman, R. Wu, C. B. Geller, and J. E. Raynolds, Phys. Rev. B 60, 7149 (1999). 10.1103/PhysRevB.60.7149
8. W. T. Geng, A. J. Freeman, R. Wu, and G. B. Olson, Phys. Rev. B 62, 6208 (2000). 10.1103/PhysRevB.62.6208
9. R. W. Smith, W. T. Geng, C. B. Geller, R. Wu, and A. J. Freeman, Scr. Mater. 43, 957 (2000). 10.1016/S1359-6462(00)00521-2
10. J. X. Shang and C. Y. Wang, J. Phys.: Condens. Matter 13, 9635 (2001). 10.1088/0953-8984/13/42/320
11. G. Lu, N. Kioussis, R. Wu, and M. Ciftan, Phys. Rev. B 59, 891 (1999). 10.1103/PhysRevB.59.891
12. W. T. Geng, A. J. Freeman, G. B. Olson, Y. Tateyama, and T. Ohno, Mater. Trans. 46, 756 (2005) and references therein. 10.2320/matertrans.46.756
13. W. T. Geng, A. J. Freeman, and G. B. Olson, Phys. Rev. B 63, 165415 (2001). 10.1103/PhysRevB.63.165415
14. A. Y. Lozovoi, A. T. Paxton, and M. W. Finnis, Phys. Rev. B 74, 155416 (2006). 10.1103/PhysRevB.74.155416
15. R. Schweinfest, A. T. Paxton, and M. W. Finnis, Nature (London) 432, 1008 (2004). 10.1038/nature03198
16. W. T. Geng, A. J. Freeman, and G. B. Olson, Mater. Trans. 47, 2113 (2006). 10.2320/matertrans.47.2113
17. V. B. Deyirmenjian, V. Heine, M. C. Payne, V. Milman, R. M. Lynden-Bell, and M. W. Finnis, Phys. Rev. B 52, 15191 (1995). 10.1103/PhysRevB.52.15191
18. M. Kohyama, Philos. Mag. Lett. 79, 659 (1999). 10.1080/095008399176706
19. M. Kohyama, Phys. Rev. B 65, 184107 (2002). 10.1103/PhysRevB.65.184107
20. G. H. Lu, S. Deng, T. Wang, M. Kohyama, and R. Yamamoto, Phys. Rev. B 69, 134106 (2004). 10.1103/PhysRevB.69.134106
21. G. H. Lu, Y. Zhang, S. Deng, T. Wang, M. Kohyama, R. Yamamoto, F. Liu, K. Horikawa, and M. Kanno, Phys. Rev. B 73, 224115 (2006). 10.1103/PhysRevB.73. 224115
22. Y. Zhang, G. H. Lu, S. Deng, T. Wang, M. Kohyama, and R. Yamamoto, Mater. Trans. 47, 2678 (2006). 10.2320/matertrans.47.2678
23. Y. Zhang, G. H. Lu, S. Deng, T. Wang, H. Xu, M. Kohyama, and R. Yamamoto, Phys. Rev. B 75, 174101 (2007). 10.1103/PhysRevB.75.174101
24. C. G. Lee, X. D. Wei, J. W. Kysar, and J. Hone, Science 321, 385 (2008). 10.1126/science.1157996
25. F. Liu, P. B. Ming, and J. Li, Phys. Rev. B 76, 064120 (2007). 10.1103/PhysRevB.76.064120
26. R. Khare, S. L. Mielke, J. T. Paci, S. L. Zhang, R. Ballarini, G. C. Schatz, and T. Belytschko, Phys. Rev. B 75, 075412 (2007). 10.1103/PhysRevB.75. 075412
27. Note that if only initial and eventual configurations are to be examined, FPCTT reduces to FPRW method.
28. H. Van Swygenhoven and P. M. Derlet, Phys. Rev. B 64, 224105 (2001). 10.1103/PhysRevB.64.224105
29. D. Farkas, H. Van Swygenhoven, and P. M. Derlet, Phys. Rev. B 66, 060101 (2002). 10.1103/PhysRevB.66.060101
30. H. Van Swygenhoven, Science 296, 66 (2002). 10.1126/science.1071040
31. A. Hasnaoui, H. Van Swygenhoven, and P. M. Derlet, Science 300, 1550 (2003). 10.1126/science.1084284
32. Z. Budrovic, H. Van Swygenhoven, P. M. Derlet, S. V. Petegem, and B. Schmitt, Science 304, 273 (2004). 10.1126/science.1095071
33. A. J. Cao and Y. G. Wei, Phys. Rev. B 76, 024113 (2007). 10.1103/PhysRevB.76.024113
34. M. Yamaguchi, M. Shiga, and H. Kaburaki, Science 307, 393 (2005). 10.1126/science.1104624
35. W. T. Geng, J. S. Wang, and G. B. Olson, Science 309, 1677c (2005). 10.1126/science.1112072
36. M. Yamaguchi, M. Shiga, and H. Kaburaki, Science 309, 1677d (2005). 10.1126/science.1112218
37. D. L. Adams, L. E. Petersen, and C. S. Sorensen, J. Phys. C 18, 1753 (1985). 10.1088/0022-3719/18/8/021
38. A. J. Freeman and R. Wu, J. Magn. Magn. Mater. 100, 497 (1991) and references therein. 10.1016/0304-8853(91)90837-Z
39. W. T. Geng, A. J. Freeman, and R. Q. Wu, Phys. Rev. B 63, 064427 (2001). 10.1103/PhysRevB.63.064427
40. G. Kresse and J. Furthmuller, Comput. Mater. Sci. 6, 15 (1996) 10.1016/0927-0256(96)00008-0
41. G. Kresse and J. Furthmuller, Phys. Rev. B 54, 11169 (1996). 10.1103/PhysRevB.54.11169
42. P. E. Blochl, Phys. Rev. B 50, 17953 (1994). 10.1103/PhysRevB.50.17953
43. G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1999). 10.1103/PhysRevB.59.1758
44. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996). 10.1103/PhysRevLett.77.3865
45. J. K. Heuer, P. R. Okamoto, N. Q. Lam, and J. F. Stubbins, J. Nucl. Mater. 301, 129 (2002). 10.1016/S0022-3115(02)00707-9
46. T. Shinoda and T. Nakamura, Acta Metall. 29, 1631 (1981). 10.1016/0001-6160(81)90045-6
47. W. Xiao, C. S. Liu, Z. X. Tian, and W. T. Geng, J. Appl. Phys. 104, 053519 (2008). 10.1063/1.2975939
48. A. S. M. Metals Handbook, Properties and Selection: Nonferrous Alloys and Pure Metals (American Society for Metals, Metals Park, OH, 1979), Vol. 2.
49. R. H. Stulen, Proceeding of the Second JIM International Symposium on Hydrogen in Metals
50. Supplement to R. H. Stulen, Trans. Jpn. Inst. Met., 21, 501 (1980).
51. M. Yamaguchi, M. Shiga, and H. Kaburaki, Mater. Trans. 47, 2682 (2006). 10.2320/matertrans.47.2682