Atomistic simulations of structures and mechanical properties of polycrystalline diamond: Symmetrical ⟨001⟩ tilt grain boundaries

Physical Review B - Condensed Matter and Materials Physics

Volumn 60, Issue 10, 1999, Pages 7043-7052

  Shenderova, O A ^a   Brenner, D W ^a   Yang, L H ^b  

^a North Carolina State University   (United States)

^b LAWRENCE LIVERMORE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000907041     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.60.7043     Document Type: Article

References (66)

1. Synthetic Diamond: Emerging CVD Science and Technology, edited by K. E. Spear and J. P. Dismukes (Wiley, New York, 1994).
2. Handbook of Industrial Diamonds and Diamond Films, edited by M. A. Prelas, G. Popovici, and L. K. Bigelow (Marcel Dekker, New York, 1998).
3. J. J. Glass, B. A. Fox, D. L. Dreifus, and B. R. Stoner, MRS Bull., 23, 49 (1998)
4. MRS Bull., G. M. Swain, A. B. Anderson, and J. C. Angus 23, 56 (1998).
5. C. Wild, N. Herres, and P. Koidl, J. Appl. Phys., 68, 973 (1990)
6. P. Koidl, W. Muller-Sebert, H. Walcher, R. Kohl, N. Herres, R. Locher, R. Samlenski, and R. Brenn, Diamond Relat. Mater., 2, 158 (1993).
7. Proceedings in Physics, edited by J. H. Werner, H. J. Moller, and H. P. Strunk (Springer, Berlin, 1989), Vol. 35
8. Proceedings in Physics edited by J. H. Werner and H. P. Strunk (Springer, Berlin, 1991), Vol. 54
9. Proceedings in Physics edited by H. P. Strunk, J. H. Werner, O. Bonnaut, and B. Fortin (Trans Tech, Brookfield, MA, 1994).
10. C. d’Anterrooches and A. Bourret, Philos. Mag. A, 49, 783 (1984).
11. J. J. Bacmann, A. M. Papon, M. Petit, and G. Silvestre, Philos. Mag. A, 51, 697 (1985).
12. J. L. Rouviere and A. Bourret, J. Phys. C, 51, 329 (1990)
13. A. Bourret and J. L. Rouviere, Springer Proceedings in Physics edited by J. H. Werner, H. J. Moller, and H. P. Strunk (Springer, Berlin, 1989) Vol. 35, p. 9.
14. O. Krivanek, S. Isoda, and K. Kobayashi, Philos. Mag., 36, 931 (1977).
15. C. Fontaine and D. A. Smith, in Interfaces and Contacts, edited by H. J. Leamy, G. E. Pike, and C. H. Seager, MRS Symposia Proceedings, No. 5 (Elsevier Science Publishing Company, Boston, 1982), p. 32.
16. M. D. Vaudin, B. Cunningham, and D. G. Ast, Scr. Metall., 17, 191 (1983).
17. A. M. Papon, M. Petit, and J. J. Bacmann, Philos. Mag. A, 49, 573 (1984).
18. H. Ichinose and Y. Ishida, Colloq. Phys., 51, C1 (1990).
19. A. S. Nandedkar and J. Narayan, Philos. Mag. A, 63, 1181 (1991)
20. J. Narayan, J. Mater. Res., 5, 2414 (1990).
21. J. Thibault and J. L. Putaux, Mater. Sci. Eng., A, 164, 93 (1993)
22. Mater. Sci. Eng., A, J. Thibault, J. L. Putaux, A. Jacques, A. George, H. M. Michaud, and X. Baillin, 164, 93 (1993).
23. M. F. Chisholm and S. J. Pennycook, MRS Bull., 22, 53 (1997).
24. M. C. Payne, P. D. Bristowe, and J. D. Joannopoulos, Phys. Rev. Lett., 58, 1348 (1985)
25. E. Tarnow, P. Dallot, P. D. Bristowe, J. D. Joannopoulos, J. D. Francis, and M. C. Payne, Phys. Rev. B, 42, 3644 (1990).
26. D. P. Di Vincenzo, O. L. Alerhand, M. Schluter, and J. W. Wilkins, Phys. Rev. Lett., 56, 1925 (1986).
27. A. V. Nikolaeva, A. V. Artemyev, Y. H. Vekilov, L. K. Fionova, and M. B. Samsonova, J. Phys. C, 4, 2775 (1992).
28. T. A. Arias and J. D. Joannopoulus, Phys. Rev. B, 49, 4525 (1994)
29. T. A. Arias and J. D. Joannopoulus, Phys. Rev. Lett., 69, 3330 (1992).
30. R. M. Thompson and D. J. Chadi, Phys. Rev. B, 29, 889 (1984).
31. A. Mauger, J. C. Bourboin, J. Allan, M. Launoo, A. Bourret, and L. Billard, Phys. Rev. B, 35, 1267 (1987).
32. A. P. Sutton, in Interfacial Structure and Design, edited by M. H. Yoo, W. A. T. Clark, and C. W. Briant, MRS Symposia Proceedings, No. 122 (Materials Research Society, Pittsburgh, 1988), p. 81.
33. A. T. Paxton and A. P. Sutton, Acta Metall., 37, 1693 (1989)
34. A. T. Paxton and A. P. Sutton, J. Phys. C, 21, L481 (1988).
35. J. R. Morris, Z. Y. Lu, D. M. Ring, J. B. Xiang, K. M. Ho, and C. Z. Wang, Phys. Rev. B, 58, 11241 (1998).
36. M. Kohyama and R. Yamamoto, Phys. Rev. B, 49, 17102 (1994).
37. M. Kohyama, R. Yamamoto, Y. Ebata, and M. Kinoshita, J. Phys. C, 21, 3205 (1988).
38. M. Kohyama, R. Yamamoto, and M. Doyama, Phys. Status Solidi B, 137, 11 (1986).
39. M. Kohyama, Phys. Status Solidi B, 141, 71 (1987).
40. S. R. Phillpot and D. Wolf, Philos. Mag. A, 60, 545 (1989)
41. S. R. Phillpot and D. Wolf, in Interfacial Structure and Design edited by M. H. Yoo, W. A. T. Clark, and C. W. Briant, MRS Symposia Proceedings, No. 122 (Materials Research Society, Pittsburgh, 1988), p. 103.
42. A. A. Levi, D. A. Smith, and J. T. Wetzel, J. Appl. Phys., 69, 2048 (1991).
43. O. Shenderova and D. W. Brenner, in Defects in Electronic Materials II, edited by S. Michel et al., MRS Symposia Proceedings No. 442 (Materials Research Society, Pittsburgh, 1997).
44. D. Shechtman, J. L. Hutchison, L. H. Robins, E. N. Farabaugh, and A. Feldman, J. Mater. Res., 8, 473 (1993)
45. D. Shechtman, A. Feldman, and J. L. Hutchison, Mater. Lett., 17, 21 (1993)
46. D. Shechtman, Mater. Sci. Eng., A, 184, 113 (1994).
47. J. Michler, Y. Kaenel, J. Stiegler, and E. Blank, J. Appl. Phys., 83, 187 (1998).
48. P. Keblinski, D. Wolf, F. Cleri, S. R. Phillpot, and H. Gleiter, Mater. Res. Bull., 23, 36 (1998).
49. J. R. Morris, C. L. Fu, and K. M. Ho, Phys. Rev. B, 54, 132 (1996).
50. D. W. Brenner, Phys. Rev. B, 42, 9458 (1990).
51. D. W. Brenuer, O. A. Shenderova, J. A. Harrison, and S. B. Sinnott (unpublished).
52. C. H. Xu, C. Z. Wang, C. T. Chan, and K. M. Ho, J. Phys. C, 4, 6047 (1992).
53. H. J. Miller, Philos. Mag. A, 43, 1045 (1981).
54. J. Hornstra, Physica (Amsterdam), 25, 409 (1959).
55. M. P. Teter, M. Payne, and D. G. Allan, Phys. Rev. B, 40, 12255 (1989).
56. N. Troullier and J. L. Martins, Phys. Rev. B, 43, 1993 (1991).
57. H. Monkhorst and J. D. Pack, Phys. Rev. B, 13, 5188 (1976).
58. H. J. McSkimin and P. Andreatch, J. Appl. Phys., 43, 2944 (1972).
59. The Properties of Natural and Synthetic Diamond, edited by J. E. Field (Academic, London, 1992).
60. C. S. G. Cousins, L. Gerward, J. Staun Olsen, and B. J. Sheldon, J. Phys.: Condens. Matter, 29, 1 (1989).
61. V. Vitek and T. Egami, Phys. Status Solidi B, 144, 145 (1987).
62. R. Hill, The Mathematical Theory of Plasticity (Clarendon, Oxford, 1950).
63. G. Sines, Elasticity and Strength (Allyn and Bacon, Boston, 1969).
64. J. P. Hirth and J. Lothe, Theory of Dislocations (Wiley, New York, 1982).
65. I. Alber, J. L. Bassani, M. Khantha, V. Vitek, and G. J. Wang, Philos. Trans. R. Soc. London, Ser. A, 339, 555 (1992).
66. O. Shenderova, D. Brenner, L. H. Yang, A. Omeltchenko, and A. Nazarov, in Diamond Materials V, edited by J. L. Davidson et al., ECS Proceedings Series (The Electrochemical Society, Pennington, NJ, 1998), p. 360.