Skip to main content
SpringerLink
Log in

Kinetic Monte Carlo method for dislocation glide in silicon

  • Published:
Journal of Computer-Aided Materials Design

Abstract

A kinetic Monte Carlo (KMC) approach to the mesoscale simulation of dislocation glide via the kink mechanism is developed. In this paper we present the details of the KMC methodology, highlighting three features: (1) inclusion of dislocation dissociation; (2) efficient method of sampling the double-kink nucleation process; and (3) exact calculation of dislocation segment interactions.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Similar content being viewed by others

References

  1. Bulatov, V.V., Yip, S. and Argon, A.S., Phil. Mag. A, 72 (1995) 453.

    CAS  Google Scholar 

  2. Nunes, R.W., Bennetto, J. and Vanderbilt, D., Phys. Rev. Lett., 77 (1996) 1516.

    Article  CAS  Google Scholar 

  3. Glasstone, S., Laidler, K.J. and Eyring, H., The Theory of Rate Processes, McGraw-Hill, New York, NY, 1941.

    Google Scholar 

  4. Binder, K., Monte Carlo Methods in Statistical Physics, 4th ed., Springer-Verlag, Berlin, 1979, p. 12.

    Google Scholar 

  5. Cai, W., Bulatov, V.V., Justo, J.F., Yip, S. and Argon, A.S., Mater. Res. Soc. Proc., 538 (1999) 69.

    CAS  Google Scholar 

  6. Lin, K. and Chrzan, D.C., Phys. Rev. B, 60 (1999) 3799.

    Article  CAS  Google Scholar 

  7. Möller, H.J., Acta. Metall., 26 (1978) 963.

    Article  Google Scholar 

  8. Hirth, J.P. and Lothe, J., Theory of Dislocations, Wiley, New York, NY, 1982.

    Google Scholar 

  9. Bulatov, V.V., Justo, J.F., Cai, W. and Yip, S., Phys. Rev. Lett., 79 (1997) 5042.

    Article  CAS  Google Scholar 

  10. Bortz, A.B., Kalos, M.H. and Lebowitz, J.L., J. Comput. Phys., 17 (1975) 10.

    Article  Google Scholar 

  11. Justo, J.F., Bazant, M.Z., Kaxiras, E., Bulatov, V.V. and Yip, S., Phys. Rev. B, 58 (1998) 2539.

    Article  CAS  Google Scholar 

  12. Marklund, S., Solid State Commun., 54 (1985) 555.

    Article  CAS  Google Scholar 

  13. Louchet, F., Phil. Mag. A, 43 (1981) 1289.

    CAS  Google Scholar 

  14. Cai, W., Bulatov, V.V., Justo, J.F., Argon, A.S. and Yip, S., to be published.

  15. George, A., J. Phys. (Paris), C6 (1979) 40.

    Google Scholar 

  16. Devincre, B. and Kubin, L., Mater. Sci. Eng., A8 (1997) 234.

    Google Scholar 

  17. Bulatov, V.V., Abraham, F.F., Kubin, L., Devincre, B. and Yip, S., Nature, 391 (1998) 669.

    Article  CAS  Google Scholar 

  18. Bulatov, V.V. and Kubin, L.P., Curr. Opin. Solid State Mater. Sci., 3 (1998) 558.

    Article  CAS  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Department of Nuclear Engineering, Massachusetts Institute of Technology, Cambridge, MA, 02139, U.S.A

    Wei Cai & Sidney Yip

  2. Lawrence Livermore National Laboratory, University of California, Livermore, , CA,  94550, U.S.A

    Vasily V. Bulatov

Authors
  1. Wei Cai
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. Vasily V. Bulatov
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. Sidney Yip
    View author publications

    You can also search for this author in PubMed Google Scholar

Rights and permissions

Reprints and permissions

About this article

Cite this article

Cai, W., Bulatov, V.V. & Yip, S. Kinetic Monte Carlo method for dislocation glide in silicon. Journal of Computer-Aided Materials Design 6, 175–183 (1999). https://doi.org/10.1023/A:1008730124719

Download citation

  • Issue Date:

  • DOI: https://doi.org/10.1023/A:1008730124719

Search

Navigation