Modeling brittle and ductile behavior of solids from first-principles calculations

Physica Status Solidi (B) Basic Research

Volumn 217, Issue 1, 2000, Pages 545-564

  Waghmare, U V ^a   Kaxiras, E ^a   Duesbery, M S ^b  

^a HARVARD UNIVERSITY   (United States)

^b Fairfax Materials Research Inc   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0034339487     PISSN: 03701972     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1521-3951(200001)217:1<545::AID-PSSB545>3.0.CO;2-N     Document Type: Article

References (45)

1. C. E. INGLIS, Trans. Inst. Naval Arch. 55, 219 (1913).
2. P. HOHENBERG and W. KOHN, Phys. Rev. 136, B864 (1964).
3. W. KOHN and L. J. SHAM, Phys. Rev. 140, A1133 (1965).
4. V. VITEK, Phil. Mag. 18, 773 (1968).
5. M. S. DUESBERY and V. VITEK, Acta Mater. 46, 1481 (1998).
6. J. R. RICE, J. Mech. Phys. Solids 40, 239 (1992).
7. R. PEIERLS, Proc. Phys. Soc. London 52, 34 (1940).
8. F. R. N. NABARRO, Proc. Phys. Soc. London 59, 256 (1947).
9. J. P. HIRTH and J. LOTHE, Theory of Dislocations, Wiley, New York 1982.
10. V. VITEK and M. YAMAGUCHI, J. Phys. F (Met. Phys.) 3, 537 (1973).
11. B. JOOS, Q. REN, and M. S. DUESBERY, Phys. Rev. B 50, 5890 (1994).
12. V. BULATOV and E. KAXIRAS, Phys. Rev. Lett. 78, 4221 (1997).
13. B. JOOS and M. S. DUESBERY, Phys. Rev. Lett. 78, 226 (1997).
14. A. A. GRIFFITH, Phil. Trans. Roy. Soc. (London) A221, 163 (1920).
15. A. KELLY, W. R. TYSON, and A. H. COTTRELL, Phil. Mag. 15, 567 (1967).
16. J. RICE and R. THOMSON, Phil. Mag. 29, 73 (1974).
17. J. R. RICE, in: Topics in Fracture and Fatigue, Ed. A. S. ARGON, Springer-Verlag, Berlin 1992; J. Mech. Phys. Solids. 40, 239 (1992). J. R. RICE and G. BELTZ, J. Mech. Phys. Solids, 42, 333 (1994).
18. J. R. RICE, in: Topics in Fracture and Fatigue, Ed. A. S. ARGON, Springer-Verlag, Berlin 1992; J. Mech. Phys. Solids. 40, 239 (1992). J. R. RICE and G. BELTZ, J. Mech. Phys. Solids, 42, 333 (1994).
19. J. R. RICE, in: Topics in Fracture and Fatigue, Ed. A. S. ARGON, Springer-Verlag, Berlin 1992; J. Mech. Phys. Solids. 40, 239 (1992). J. R. RICE and G. BELTZ, J. Mech. Phys. Solids, 42, 333 (1994).
20. P. B. HIRSCH and S.G. ROBERTS, Phil. Mag. A 64, 55 (1991).
21. M. KHANTHA, D. P. POPE, and V. VITEK, Phys. Rev. Lett. 73, 684 (1994).
22. J. M. KOSTERLITZ and D.J. THOULESS, J. Phys. C (Solid State Phys.) 6, 1181 (1973).
23. phys. stat. sol. (b) 217, No. 1 (2000).
24. D. M. CEPEREY and B. J. ALDER, Phys. Rev. Lett. 45, 566 (1980).
25. J. P. PERDEW and A. ZUNGER, Phys. Rev. B 23, 5048 (1981).
26. J. C. PHILLIPS, Phys. Rev. 112, 685 (1958).
27. V. HEINE and M. L. COHEN, Solid State Phys. 24 (1970).
28. A. M. RAPPE, K. M. RABE, E. KAXIRAS, and J. D. JOANNOPOULOS, Phys. Rev. B 41, 1227 (1990).
29. H. J. MONKHORST and J. D. PACK, Phys. Rev. B 13, 5188 (1976).
30. M. P. TETER, M. C. PAYNE, and D. C. ALLAN, Phys. Rev. B 40, 12255 (1989).
31. G. KREESE and J. FURTHMULLER, Comput. Mater. Sci. 6, 15 (1996).
32. J. H. ROSE, J. R. SMITH, F. GUINEA, and J. FERRANTE, Phys. Rev. B 29, 2963 (1984).
33. E. KAXIRAS and M. S. DUESBERY, Phys. Rev. Lett. 70, 3752 (1993).
34. G. H. VINEYARD, J. Phys. Chem. Solids 3, 121 (1957).
35. Y. JUAN and E. KAXIRAS, Phil. Mag. A 74, 1367 (1996).
36. Y.-M. JUAN, Y. SUN, and E. KAXIRAS, Phil. Mag. Lett. 73, 233 (1996).
37. A. K. BHATTACHARYA and J. J. PETROVIC, J. Amer. Ceram. Soc. 74, 1045 (1992).
38. J. J. PETROVIC, R. E. HONNELL, T. E. MITCHELL, T. E. WADE, and K. J. MCCLELLAN, Ceram. Eng. Sci. Proc. 12, 1633 (1991).
39. T. C. Lu, A. G. EVANS, R. J. HECHT, and R. MEHRABIAN, Acta Metall, et Mater. 39, 1853 (1991).
40. S. MALOY, A. H. HEUER, J. J. LEWANDOWSKI, and J. J. PETROVIC, J. Amer. Ceram. Soc. 74, 2704 (1991).
41. S. RAWAL, Martin Marietta Astronautics, ONR Workshop on MoSi2, Hyannis, June 1995.
42. K. ITO, H. INUI, Y. SHIRAI, and M. YAMAGUCHI, Phil. Mag. A 72, 1075 (1995).
43. U. V. WAGHMARE, V. BULATOV, E. KAXIRAS, and M. S. DUESBERY, Phil. Mag. A 79, 655 (1999).
44. P. PERALTA, S. A. MALOY, F. CHU, J. J. PETROVIC, and T. E. MITCHELL, Scripta Mater. 37, 1599 (1997).
45. P. PERALTA, F. CHU, S. A. MALOY, P. SANTIAGO, J. J. PETROVIC, and T. E. MITCHELL, Proc. AFOSR-Sponsored Internat. Conf. Computer-Aided Design of High-Temp. Mater., 30 July to 2 August 1997, Santa Fe (New Mexico).