Sliding and decohesion of ∑3〈111〉 grain boundary in tungsten: Monte Carlo simulations with many-body ab initio potentials

Journal of Applied Physics

Volumn 90, Issue 2, 2001, Pages 705-712

  Dorfman, Simon ^a   Mundim, Kleber C ^b   Liubich, Vlad ^c   Fuks, David ^c  

^a TECHNION ISRAEL INSTITUTE OF TECHNOLOGY   (Israel)

^b UNIVERSITY OF BRASILIA   (Brazil)

^c BEN GURION UNIVERSITY OF THE NEGEV   (Israel)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0347785142     PISSN: 00218979     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1378335     Document Type: Article

References (51)

1. J. R. Rice and R. Thomson, Philos. Mag. 29, 73 (1974).
2. R. Peierls, Proc. Phys. Soc. 52, 34 (1940).
3. J. R. Rice, J. Mech. Phys. Solids 40, 239 (1992).
4. J. R. Rice and G. E. Beltz, J. Mech. Phys. Solids 42, 333 (1994).
5. Y. Sun, G. E. Beltz, and J. R. Rice, Mater. Sci. Eng., A 170, 67 (1993).
6. Y. Sun and G. E. Beltz, J. Mech. Phys. Solid 42, 1905 (1994).
7. S. J. Zhou and A. E. Carlsson, Phys. Rev. Lett. 72, 852 (1994).
8. A. K. Mukerjee, Mater. Sci. Technol. 6, 407 (1993).
9. R. C. Gifkins, Mater. Charact. 32, 59 (1994).
10. M. Guttmann and D. McLean, Interfacial Segregations (ASM, Metals Park, OH, 1979), p. 261.
11. J. F. Mescall and H. Rogers, in Innovations in Ultra-High Strength Steel Technology, edited by G. B. Olson, M. Azrin, and E. S. Wright, 34th Sagamore Army Materials Research Conference, August 30-September 3, 1987, Lake George, NY. pp. 287-314.
12. G. L. Krasko and G. B. Olson, Solid State Commun. 76, 247 (1990); 79, 113 (1991); G. L. Krasko, Scr. Metall. Mater. 28, 1543 (1993); R. Wu, A. J. Freeman, and G. B. Olson, J. Mater. Res. 7, 2403 (1992); Phys. Rev. B 47, 6885 (1993); 50, 75 (1994); Science 265, 376 (1994).
13. G. L. Krasko and G. B. Olson, Solid State Commun. 76, 247 (1990); 79, 113 (1991); G. L. Krasko, Scr. Metall. Mater. 28, 1543 (1993); R. Wu, A. J. Freeman, and G. B. Olson, J. Mater. Res. 7, 2403 (1992); Phys. Rev. B 47, 6885 (1993); 50, 75 (1994); Science 265, 376 (1994).
14. G. L. Krasko and G. B. Olson, Solid State Commun. 76, 247 (1990); 79, 113 (1991); G. L. Krasko, Scr. Metall. Mater. 28, 1543 (1993); R. Wu, A. J. Freeman, and G. B. Olson, J. Mater. Res. 7, 2403 (1992); Phys. Rev. B 47, 6885 (1993); 50, 75 (1994); Science 265, 376 (1994).
15. G. L. Krasko and G. B. Olson, Solid State Commun. 76, 247 (1990); 79, 113 (1991); G. L. Krasko, Scr. Metall. Mater. 28, 1543 (1993); R. Wu, A. J. Freeman, and G. B. Olson, J. Mater. Res. 7, 2403 (1992); Phys. Rev. B 47, 6885 (1993); 50, 75 (1994); Science 265, 376 (1994).
16. G. L. Krasko and G. B. Olson, Solid State Commun. 76, 247 (1990); 79, 113 (1991); G. L. Krasko, Scr. Metall. Mater. 28, 1543 (1993); R. Wu, A. J. Freeman, and G. B. Olson, J. Mater. Res. 7, 2403 (1992); Phys. Rev. B 47, 6885 (1993); 50, 75 (1994); Science 265, 376 (1994).
17. G. L. Krasko and G. B. Olson, Solid State Commun. 76, 247 (1990); 79, 113 (1991); G. L. Krasko, Scr. Metall. Mater. 28, 1543 (1993); R. Wu, A. J. Freeman, and G. B. Olson, J. Mater. Res. 7, 2403 (1992); Phys. Rev. B 47, 6885 (1993); 50, 75 (1994); Science 265, 376 (1994).
18. G. L. Krasko and G. B. Olson, Solid State Commun. 76, 247 (1990); 79, 113 (1991); G. L. Krasko, Scr. Metall. Mater. 28, 1543 (1993); R. Wu, A. J. Freeman, and G. B. Olson, J. Mater. Res. 7, 2403 (1992); Phys. Rev. B 47, 6885 (1993); 50, 75 (1994); Science 265, 376 (1994).
19. R. J. Kurtz and R. G. Hoagland, Scr. Mater. 39, 653 (1998).
20. H. Van Swygenhoven and A. Caro, Appl. Phys. Lett. 71, 1652 (1997).
21. L. Zhang and H. Tanaka, Wear 211, 44 (1997).
22. R. J. Kurtz, R. G. Hoagland, and J. P. Hirth, Philos. Mag. A 79, 665 (1999).
23. A. E. Carlsson, Phys. Rev. B 44, 6590 (1991).
24. W. Xu and J. B. Adams, Surf. Sci. 319, 45 (1994).
25. A. G. Marinopoulos, V. Vitek, and A. E. Carlsson, Philos. Mag. A 72, 1311 (1995).
26. M. Z. Bazant and E. Kaxiras, Phys. Rev. Lett. 77, 4370 (1996).
27. J. F. Justo, M. Z. Bazant, E. Kaxiras, V. V. Bulatov, and S. Yip, Phys. Rev. B 58, 2539 (1998).
28. M. de Koning, A. Antonelli, M. Z. Bazant, E. Kaxiras, and J. F. Justo, Phys. Rev. B 58, 12555 (1998).
29. K. C. Mundim and C. Tsallis, Int. J. Quantum Chem. 58, 373 (1996).
30. M. A. Moret, P. G. Pascutti, P. M. Bisch, and K. C. Mundim, J. Comput. Chem. 19, 647 (1998).
31. E. P. G. Areas, P. G. Pascutti, S. Schreier, K. C. Mundim, and P. M. Bisch. J. Comput. Chem. 99, 14882 (1995).
32. A. Carlsson, C. Gelatt, and H. Ehrenreich, Philos. Mag. A 41, 241 (1980).
33. M. Z. Bazant and E. Kaxiras, in Materials Theory, Simulations and Parallel Algorithms, edited by E. Kaxiras, J. Joannopoulas, P. Vashista, and R. Kalia, MRS Proceedings (Materials Research Society, Pittsburgh, 1996), p. 48.
34. O. K. Andersen, Phys. Rev. B 12, 3060 (1975); H. L. Skriver, The LMTO Method, (Springer, New York, 1984).
35. O. K. Andersen, Phys. Rev. B 12, 3060 (1975); H. L. Skriver, The LMTO Method, (Springer, New York, 1984).
36. D. E. Ellis, S. Dorfman, D. Fuks, R. Evenhaim, and K. C. Mundim, Int. J. Quantum Chem. 70, 1085 (1998).
37. O. Eriksson, B. Johansson, M. S. S. Brooks, and H. L. Skriver, Phys. Rev. B 40, 9519 (1989).
38. V. N. Antonov, B. Yu. Yavorsky, A. P. Shpak, Vi. N. Antonov, O. Jepsen, G. Guizzetti, and F. Marabelli, Phys. Rev. B 53, 15631 (1996).
39. C. Felser, J. Kohler, A. Simon, and O. Jepsen, Phys. Rev. B 57, 1510 (1998).
40. P. Blaha, K. Schwarz, P. Sorantin, and S. B. Trickey, Comput. Phys. Commun. 59, 399 (1990).
41. A. Christensen, A. V. Ruban, P. Stoltze, K. W. Jacobsen, H. L. Skriver, J. K. Norskov, and F. Besenbacher, Phys. Rev. B 56, 5822 (1997); A. I. Landa, A. V. Ruban, I. A. Abrikosov, P. Wynblatt, and H. L. Skriver, Mater. Res. Soc. Symp. Proc. 440, 467 (1997).
42. A. Christensen, A. V. Ruban, P. Stoltze, K. W. Jacobsen, H. L. Skriver, J. K. Norskov, and F. Besenbacher, Phys. Rev. B 56, 5822 (1997); A. I. Landa, A. V. Ruban, I. A. Abrikosov, P. Wynblatt, and H. L. Skriver, Mater. Res. Soc. Symp. Proc. 440, 467 (1997).
43. N. Moll, M. Bockstedte, M. Fuchs, E Pehlke, and M. Scheffler, Phys. Rev. B 52, 2550 (1995).
44. A. E. Carlsson and N. Ashcroft, Phys. Rev. B 27, 2101 (1983).
45. A. E. Carlsson, Phys. Rev. B 32, 4866 (1985).
46. G. Simmons and R. Wang, Single Crystal Elastic Constants and Calculated Aggregate Properties: A Handbook, 2nd ed. (MIT Press, Cambridge, MA, 1971).
47. Ch. Kittel, Introduction to Solid State Physics, 5th ed. (John Willey & Sons, New York, 1976).
48. G. Davidov, D. Fuks, and S. Dorfman, Phys. Rev. B 51, 13059 (1995).
49. K. Maier, M. Peo, B. Saile, H. E. Shaefer, and A. Seeger, Philos. Mag. A 40, 701 (1979).
50. J. N. Mundy, S. J. Rothman, N. Q. Lam, H. A. Hoff, and L. J. Nowicki, Phys. Rev. B 18, 6566 (1978).
51. M. Grujicic, H. Zhao, and G. L. Krasko, Int. J. Refract. Met. Hard Mater. 15, 341 (1997).