Decohesion of σ(111) grain boundary in tungsten with boron interstitial

Surface Review and Letters

Volumn 10, Issue 2-3, 2003, Pages 227-232

  Mundim, Kleber ^a   Dorfman, Simon ^b   Fuks, David ^c  

^a UNIVERSITY OF BRASILIA   (Brazil)

^b TECHNION ISRAEL INSTITUTE OF TECHNOLOGY   (Israel)

^c BEN GURION UNIVERSITY OF THE NEGEV   (Israel)

Author keywords

[No Author keywords available]

Indexed keywords

ANNEALING; BORON; COMPUTER SIMULATION; CRYSTAL IMPURITIES; GRAIN BOUNDARIES;

DECOHESION; INTERATOMIC POTENTIALS;

TUNGSTEN;

BORON; TUNGSTEN;

AB INITIO CALCULATION; ATOM; CONFERENCE PAPER; ENERGY; SIMULATION; STOCHASTIC MODEL; SURFACE PROPERTY;

EID: 0041845242     PISSN: 0218625X     EISSN: None     Source Type: Journal    
DOI: 10.1142/s0218625x03005074     Document Type: Conference Paper

References (26)

1. G. L. Krasko, Mater. Sci. Eng. A234-236, 1071 (1997).
2. T. H. Chuang, Mater. Sci. Eng. A141, 169 (1991).
3. D. Fuks and S. Dorfman, J. Mater. Sci. Lett. 17, 837 (1998).
4. G. L. Krasko, International Journal of Refractory & Hard Metals 12, 251 (1993-4).
5. M. Šob, L. G. Wang and V. Vitek, Mat. Sci. Eng. A234-236, 1075 (1997).
6. S. Kirkpatrick, J. Stat. Phys. 34, 975 (1984).
7. S. Kirkpatrick, C. D. Gelat and M. P. Vecchi, Science 220, 671 (1983).
8. D. Ceperly and C. Alder, Science 231, 555 (1986).
9. H. Szu and R. Hartley, Phys. Lett. A122, 157 (1987).
10. C. Tsallis, J. Stat. Phys. 52, 479 (1988).
11. E. M. F. Curado and C. Tsallis, J. Phys. A24, L69 (1991; J. Phys. A24, 3187 (1991).
12. E. M. F. Curado and C. Tsallis, J. Phys. A24, L69 (1991; J. Phys. A24, 3187 (1991).
13. C. Tsallis and D. A. Stariolo, Phys. A233, 395 (1996).
14. K. C. Mundim and C. Tsallis, Int. J. Quantum Chem. 58, 373 (1996).
15. M. G. Moret, P. G. Pascutti, P. M. Bish and K. C. Mundim, J. Comp. Chem. 19, 647 (1998).
16. A. Carlsson, C. Gelatt and H. Ehrenreich, Philos. Mag. A41, 241 (1980).
17. M. Z. Bazant and E Kaxiras, in Materials Theory, Simulations and Parallel Algorithms, eds. E. Kaxiras, J. Joannopoulas, P. Vashista and R. Kalia (Mater. Res. Soc., Pittsburgh, 1996), p. 48.
18. D. E. Ellis, K. C. Mundim, D. Fuks, S. Dorfman and A. Berner, Philos. Mag. B79, 1615 (1999) and references therein.
19. O. K. Andersen, Phys. Rev. B12, 3060 (1975); H. L. Skriver, The LMTO Method (Springer, New York, 1984).
20. O. K. Andersen, Phys. Rev. B12, 3060 (1975); H. L. Skriver, The LMTO Method (Springer, New York, 1984).
21. J. W. D. Connolly and A. R. Williams, Phys. Rev. B27, 5169 (1983).
22. J. S. Faulkner, Prog. Mater. Sci. 27, 1 (1982).
23. A. V. Ruban, I. A. Abrikosov and H. L. Skriver, Phys. Rev. B51, 12958 (1995).
24. S. Dorfman, V. Liubich, D. Fuks and K. C. Mundim, J. Phys.: Condens. Matter 13, 6719 (2001).
25. S. Dorfman, K. C. Mundim, V. Liubich and D. Fuks, J. Appl. Phys. 90, 705 (2001).
26. D. Fuks, K. C. Mundim, L. A. C. Malbouisson, A. Berner, S. Dorfman and D. E. Ellis, Journal of Molecular Structure (Theochem) 539, 199 (2001).