Why do grain boundaries exhibit finite facet lengths?

Physical Review Letters

Volumn 90, Issue 24, 2003, Pages

  Hamilton, J C ^a   Siegel, Donald J ^a   Daruka, Istvan ^a   Léonard, François ^a  

^a SANDIA NATIONAL LABORATORIES   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALUMINUM; CALCULATIONS; CONTINUUM MECHANICS; ELASTICITY; GREEN'S FUNCTION; POISSON RATIO; POLYCRYSTALS; PROBABILITY DENSITY FUNCTION; STRESSES; SURFACES; VECTORS;

ALUMINUM TWIN GRAIN BOUNDARIES; CONTINUUM ELASTICITY THEORY; DENSITY FUNCTIONAL THEORY; EMBEDDED ATOM METHOD; FINITE FACET LENGHTS; TRANSLATION VECTORS;

GRAIN BOUNDARIES;

EID: 0041303714     PISSN: 00319007     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (20)

1. A. P. Sutton and R. W. Balluffi, Interfaces in Crystalline Materials (Oxford University Press, New York, 1996).
2. T. E. Hsieh and R. W. Balluffi, Acta Metall. 37, 2133 (1989).
3. V. I. Marchenko, Sov. Phys. JETP 54, 605 (1981).
4. R. Birringer, M. Hoffmann, and P. Zimmer, Phys. Rev. Lett. 88, 206104 (2002).
5. R. C. Pond and V. Vitek, Proc. R. Soc. London, Ser. A 357, 453 (1977).
6. L. D. Landau and E. M. Liftshitz, Theory of Elasticity (Butterworth-Heinemann, Stoneham, MA, 1995) 3rd ed.
7. A. F. Voter and S. P. Chen, in Characterization of Defects in Materials, edited by R. W. Siegel, J. R. Weertman, and R. Sinclair (Materials Research Society, Pittsburgh, PA, 1987), pp. 175-180.
8. P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964).
9. W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).
10. G. Kresse and J. Furthmüller, Phys. Rev. B 54, 11 169 (1996).
11. J. P. Perdew et al., Phys. Rev. B 46, 6671 (1992).
12. D. Vanderbilt, Phys. Rev. B 41, 7892 (1990).
13. G. Kresse and J. Hafner, J. Phys. Condens. Matter 6, 8245 (1994).
14. S. G. Louie, S. Froyen, and M. L. Cohen, Phys. Rev. B 26, 1738 (1982).
15. H. J. Monkhorst and J. D. Pack, Phys. Rev. B 13, 5188 (1976).
16. M. Methfessel and A. T. Paxton, Phys. Rev. B 40, 3616 (1989).
17. There is also a CSL shift of 0.7 Å in the [111] direction at the GB facet junction.
18. D. C. Medlin et al., MRS Symp. Proc. 295, 91 (1993).
19. A. F. Wright and S. R. Atlas, Phys. Rev. B 50, 15 248 (1994).
20. J. P. Hirth and J. Lothe, Theory of Dislocations (Krieger, Malabar, FL, 1992), 2nd ed.