Core energy and Peierls stress of a screw dislocation in bcc molybdenum: A periodic-cell tight-binding study

Physical Review B - Condensed Matter and Materials Physics

Volumn 70, Issue 10, 2004, Pages

  Li, Ju ^a   Wang, Cai Zhuang ^b   Chang, Jin Peng ^c   Cai, Wei ^d   Bulatov, Vasily V ^d   Ho, Kai Ming ^b   Yip, Sidney ^c  

^a The Ohio State University   (United States)

^b IOWA STATE UNIVERSITY   (United States)

^c USA   (United States)

^d LAWRENCE LIVERMORE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANISOTROPY; ARTICLE; ATOM; CALCULATION; DIPOLE; ELASTICITY; ENERGY; MATERIALS HANDLING; MATERIALS TESTING; PEIERIS STRESS; ROTATION; SHEAR STRESS; STRESS;

EID: 19744381770     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevB.70.104113     Document Type: Article

References (39)

1. P. B. Hirsch, in Proceedings of the Fifth International Conference on Crystallography (Cambridge University Press, Cambridge, 1960), p. 139.
2. J. W. Christian, Metall. Trans. A 14A, 1237 (1983).
3. M. S. Duesbery, in Dislocations in Solids, edited by F. R.N. Nabarro (Elsevier, Amsterdam, 1989), Vol. 8, p. 67.
4. W. Sigle, Philos. Mag. A 79, 1009 (1999).
5. A. Seeger and C. Wuthrich, Nuovo Cimento Soc. Ital. Fis., B 33B, 38 (1976).
6. K. Ito and V. Vitek, Philos. Mag. A 81, 1387 (2001).
7. V. Vitek, Philos. Mag. 84, 415 (2004).
8. M. S. Duesbery and V. Vitek, Acta Mater. 46, 1481 (1998).
9. W. Xu and J. A. Moriarty, Comput. Mater. Sci. 9, 348 (1998).
10. S. Ismail-Beigi and T. A. Arias, Phys. Rev. Lett. 84, 1499 (2000).
11. C. Woodward and S. I. Rao, Philos. Mag. A 81, 1305 (2001).
12. G. F. Wang, A. Strachan, T. Cagin, and W. A. Goddard, Phys. Rev. B 67, 140101 (2003).
13. D. E. Segall, A. Strachan, W. A. Goddard, S. Ismail-Beigi, and T. A. Arias, Phys. Rev. B 68, 014104 (2003).
14. S-L. Frederiksen and K. W. Jacobsen, Philos. Mag. 83, 365 (2003).
15. M. Mrovec, D. Nguyen-Manh, D. G. Pettifor, and V. Vitek, Phys. Rev. B 69, 094115 (2004).
16. K-J. Kaufmann, A. Luft, and D. Schulze, Cryst. Res. Technol. 19, 357 (1984).
17. A. Seeger, Z. Metallkd, Z. Metallkd. 93, 760 (2002).
18. J. Marian, W. Cai, and V. V. Bulatov, Nat. Mater. 3, 158 (2004).
19. V. V Bulatov and W. Cai, Phys. Rev. Lett. 89, 115501 (2002).
20. W. Cai, V. V. Bulatov, J, Chang, J. Li, and S. Yip, Phys. Rev. Lett. 86, 5727 (2001).
21. W. Cai, V. V. Bulatov, J, Chang, J. Li, and S. Yip, Philos, Mag. 83, 539 (2003).
22. M. W. Finnis and J. E. Sinclair, Philos. Mag. A 50, 45 (1984); 53, 161(E) (1986).
23. M. W. Finnis and J. E. Sinclair, Philos. Mag. A 50, 45 (1984); 53, 161(E) (1986).
24. C. Woodward and S. I. Rao, Phys. Rev. Lett. 88, 216402 (2002).
25. J. Li, Ph.D. thesis, Massachusetts Institute of Technology, 2000.
26. H. Haas, C. Z. Wang, M. Fahnle, C. Elsasser, and K. M. Ho, Phys. Rev. B 58, 1461 (1998).
27. H. Haas, C. Z. Wang, K. M. Ho, M. Fahnle, and C. Elsasser, J. Phys.: Condens. Matter 11, 5455 (1999).
28. H. Haas, C. Z. Wang, K. M. Ho, M. Fahnle, and C. Elsasser, Surf. Sci. 457, L397 (2000).
29. H. Haas, C. Z. Wang, K. M. Ho, M. Fahnle, and C. Elsasser (unpublished).
30. A. N. Stroh, J. Math. Phys. 41, 77 (1962).
31. I. P. Hirth and J. Lothe, Theory of Dislocations (Wiley, New York, 1982).
32. W. B. Pearson, Handbook of Lattice Spacing and Structures of Metals II (Pergamon, New York, 1967).
33. G. Simmons and H. Wang, Single Crystal Elastic Constants and Calculated Aggregate Properties: A Handbook (MIT Press, Cambridge, MA, 1971).
34. V. Vitek, Cryst. Lattice Defects 5, 1 (1974).
35. S. Ogata, J. Li, and S. Yip, Science 298, 807 (2002).
36. J. A. Moriarty, J. F. Belak, R. E. Rudd, P. Soderlind, F. H. Streitz, L. H. Yang, J. Phys.: Condens. Matter 14, 2825 (2002).
37. H. Suzuki, in Dislocation Dynamics, edited by A. R. Rosenfield, G. T. Hahn, A. L. Bernent, and R. I. Jaffee (McGraw-Hill, New York, 1968), p. 679.
38. J. D. Jackson, Classical Electrodynamics, 2nd ed, (Wiley, New York, 1975).
39. C. H. P Lupis, Chemical Thermodynamics of Materials (North-Holland, New York, 1983).