Atomistic simulations of kinks in 1/2a〈111〉 screw dislocations in BCC tantalum

Physical Review B - Condensed Matter and Materials Physics

Volumn 68, Issue 22, 2003, Pages

  Wang, Guofeng ^a,b   Strachan, Alejandro ^a,c   Çağın, Tahir ^a   Goddard, William A ^a  

^a CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

^b LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

^c LOS ALAMOS NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

METAL; TANTALUM;

ARTICLE; CALCULATION; CONDUCTOR; CRYSTAL; ELASTICITY; ENERGY; MATERIALS; MATHEMATICAL ANALYSIS; POLARIZATION; SEMICONDUCTOR;

EID: 0742270380     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.68.224101     Document Type: Article

References (41)

1. V. V. Bulatov and L. P. Kubin, Curr. Opin. Solid State Mater. Sci. 3, 558 (1998).
2. R. Phillips, D. Rodney, V. Shenoy, E. Tadmor, and M. Ortiz, Modell. Simul. Mater. Sci. Eng. 7, 769 (1999).
3. M. I. Baskes, Curr. Opin. Solid State Mater. Sci. 4, 273 (1999).
4. A. M. Cuitino, L. Stanier, G. Wang, A. Strachan, T. Çaǧin, W. A. Goddard, and M. Ortiz, J. Comput.-Aided Mater. Des. 8, 127 (2002).
5. V. V. Bulatov, S. Yip, and A. S. Argon, Philos. Mag. A 72, 453 (1995).
6. J. A. Moriarty, W. Xu, P. Söderlind, J. Belak, L. H. Yang, and J. Zhu, J. Eng. Mater. Technol. 121, 120 (1999).
7. F. Louchet and L. P. Kubin, Philos. Mag. A 39, 433 (1979).
8. W. Xu and J. A. Moriarty, Comput. Mater. Sci. 9, 348 (1998).
9. L. H. Yang, P. Söderlind, and J. A. Moriarty, Philos. Mag. A 81, 1355 (2001).
10. K. Ito and V. Vitek, Philos. Mag. A 81, 1387 (2001).
11. G. Wang, A. Strachan, T. Çağın, and W. A. Goddard, Mater. Sci. Eng., A 309, 133 (2001).
12. T. Suzuki, Y. Kamimura, and H. O. K. Kirchner, Philos. Mag. A 79, 1629 (1999).
13. A. Seeger and P. Schiller, Physical Acoustics, edited by W. P. Mason (Academics, New York, 1966), Vol. 3A, p. 361.
14. H. R. Kolar, J. C. H. Spence, and H. Alexander, Phys. Rev. Lett. 77, 4031 (1996).
15. A. Seeger and C. Wuthrich, Nuovo Cimento Soc. Ital. Fis., B 33, 38 (1976).
16. M. S. Duesbery, Acta Metall. 31, 1747 (1983).
17. M. S. Duesbery, Acta Metall. 31, 1759 (1983).
18. M. S. Duesbery and Z. S. Basinski, Acta Metall. Mater. 41, 643 (1993).
19. S. I. Rao and C. Woodward, Philos. Mag. A 81, 1317 (2001).
20. V. Vitek, Cryst. Lattice Defects 5, 1 (1974).
21. W. Xu and J. A. Moriarty, Phys. Rev. B 54, 6941 (1996).
22. M. S. Duesbery and V. Vitek, Acta Mater. 46, 1481 (1998).
23. S. Ismail-Beigi and T. A. Arias, Phys. Rev. Lett. 84, 1499 (2000).
24. C. Woodward and S. I. Rao, Philos. Mag. A 81, 1305 (2001).
25. G. Wang, A. Strachan, T. Çağın, and W. A. Goddard, Phys. Rev. B 67, 140101(R) (2003).
26. J. P. Hirth and J. Lothe, Theory of Dislocations (Krieger, Melbourne, FL, 1982), p. 162.
27. W. Sigle, Philos. Mag. A 79, 1009 (1999).
28. S. Chantasiriwan and F. Milstein, Phys. Rev. B 53, 14 080 (1996).
29. A. Strachan, T. Çağın, O. Gülseren, S. Mukherjee, R. E. Cohen, and W. A. Goddard (unpublished).
30. J. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981).
31. M. Ceperley and B. J. Alder, Phys. Rev. Lett. 45, 566 (1980).
32. D. R. Hamann, Phys. Rev. B 40, 2980 (1989).
33. S. G. Louie, S. Froyen, and M. L. Cohen, Phys. Rev. B 26, 1738 (1982).
34. G. Wang, Ph.D. Thesis, Caltech, 2002.
35. W. Wen and A. H. W. Ngan, Acta Mater. 48, 4255 (2000).
36. M. Werner, Phys. Status Solidi A 104, 63 (1987).
37. M. Tang, L. P. Kubin, and G. R. Canova, Acta Mater. 46, 3221 (1998).
38. L. Stainier, A. M. Cuitino, and M. Ortiz, J. Mech. Phys. Solids 50, 1511 (2002).
39. T. E. Mitchell and W. A. Spitzig, Acta Metall. 13, 1169 (1965).
40. Single Crystal Elastic Constants and Calculated Aggregate Properties: A Handbook, edited by G. Simmons and H. Wang (MIT Press, Cambridge, MA, 1971).
41. C. Woodward and S. I. Rao, Phys. Rev. Lett. 88, 216402 (2002).