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2002 | 102 | 3 | 437-442
Article title

Ab initio Calculation of Quasi-Equilibrium Microcracks in Cubic Boron Nitride

Content
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Languages of publication
EN
Abstracts
EN
A crack in cubic boron nitride crystal was simulated within the ab initio density-functional theory. The lattice constant, critical stress intensity factor K_c, which describes crack creation stress, and fracture surface energy Γ were calculated from the elongated 2×6×1 supercell and these quantities agree quite well with the experimental data. We conclude that density-functional theory can be used to estimate crack's material constants.
Keywords
EN
Publisher

Year
Volume
102
Issue
3
Pages
437-442
Physical description
Dates
published
2002-09
received
2002-05-09
(unknown)
2002-06-21
Contributors
author
  • Institute of Nuclear Physics, Radzikowskiego 152, 31-342 Cracow, Poland
author
  • Institute of Nuclear Physics, Radzikowskiego 152, 31-342 Cracow, Poland
References
  • 1. A. Yuse, M. Sano, Nature (London), 362, 329, 1993; O. Ronsin, F. Heslot, B. Perrin, Phys. Rev. Lett., 75, 2352, 1995
  • 2. J. Fineberg, S.P. Gross, M. Marder, H.L. Swinney, Phys. Rev. Lett., 67, 457, 1991; Phys. Rev. B, 45, 5146, 1992; J.F. Boudet, S. Ciliberto, V. Steinberg, Europhys. Lett., 30, 337, 1995; E. Sharon, S.P. Gross, J. Fineberg, Phys. Rev. Lett., 74, 5096, 1995
  • 3. A.A. Griffith, Philos. Trans. R. Soc. Lond. Ser. A, 221, 163, 1921
  • 4. B. Cotterel, J.R. Rice, Int. J. Fract., 16, 155, 1980
  • 5. G. Kresse, J. Hafner, Phys. Rev. B, 47, 558, 1993
  • 6. G. Kresse, J. Furhmuller, Software VASP, Vienna, 1999; Phys. Rev. B, 54, 11169, 1996; Comp. Mater. Sci., 6, 15, 1996
  • 7. D. Vanderbilt, Phys. Rev. B, 41, 7892, 1990
  • 8. J. Perdew, A. Zunger, Phys. Rev. B, 23, 5048, 1981
  • 9. J. Perdew, Y. Wang, Phys. Rev. B, 45, 13244, 1992
  • 10. E. Knittle, R. M. Wentzcovitsch, R. Jeanloz, M.L. Cohen, Nature (London), 337, 349, 1989
  • 11. M. Grimsditch, E.S. Zouboulis, A. Polian, J. Appl. Phys., 76, 832, 1994
  • 12. T. Taniguchi, M. Akaishi, S. Yamaoka, J. Am. Ceram. Soc., 79, 547, 1996
  • 13. K. Reddy, E.H. Fontana, J.D. Helfinstine, J. Am. Ceram. Soc., 71, C310, 1988
  • 14. J.A. Hauch, D. Holland, M.P. Marder, H.L. Swinney, Phys. Rev. Lett., 82, 3823, 1999
Document Type
Publication order reference
Identifiers
YADDA identifier
bwmeta1.element.bwnjournal-article-appv102n311kz
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