Skip to main content

Computer Simulation of Surface Defects

  • Chapter
  • 276 Accesses

Part of the book series: NATO ASI Series ((NSSB))

Abstract

Since the surface of a material interacts directly with the environment, surface processes are important in such areas as corrosion, catalysis, electrode behaviour, sintering and particle growth. Often it is difficult to study surface phenomena experimentally, since the techniques used may also sample the bulk material or may cause extensive surface damage or surface charging, and even when experiments can be carried out it may prove difficult to interpret the results unambiguously. It is then that computer simulation techniques may be useful to provide further information to augment the experimental data or to elucidate the atomic mechanisms of surface processes. With the advent of faster computers and more sophisticated programmes, usage of such modelling techniques to complement experiment is likely to increase.

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

Buying options

Chapter
USD   29.95
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
eBook
USD   39.99
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book
USD   54.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Purchases are for personal use only

Learn about institutional subscriptions

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. W.C. Mackrodt, in “Computer Simulation of Solids”, p.175, ed. C.R.A Catlow and W.C. Mackrodt (Springer-Verlag, Berlin, 1982)

    Google Scholar 

  2. P.W. Tasker, in “Computer Simulation of Solids”, p.288, ed. C.R.A. Catlow and W.C. Mackrodt ( Springer-Verlag, Berlin, 1982 ).

    Google Scholar 

  3. W.C. Mackrodt and R.F. Stewart, J. Phys. C. Solid State Phys. 10, 431 (1977).

    Article  Google Scholar 

  4. D.M. Duffy and P.W. Tasker, Phil. Mag. A 47, 817 (1983); ibid 48, 155 (1983); ibid, 50, 1543 (1984); ibid, 50, 155 (1984).

    Google Scholar 

  5. D.M. Duffy and P.W. Tasker, Advances in Ceramics 10, 275 (1984).

    Google Scholar 

  6. C.R.A. Catlow and 1r J.C. Mackrodt, in “Computer Simulation of Solids”, p.3, ed. C.R.A. Catlow and W.C. Mackrodt (Springer-Verlag, Berlin, 1982); M.J. Norgett, AERE Harwell, Report AERE-8.7015 (1972).

    Google Scholar 

  7. D.E. Parry, Surface Science 49, 433 (1975); Surface. Science 54, 195 (1976).

    Article  Google Scholar 

  8. P.W. Tasker, AERE Harwell, Report AERE-R. 9130 (1978).

    Google Scholar 

  9. M.J. Sanders, C.R.A. C.tlow and J.V. Smith, J Phys. Chem 68, 2796 (1984).

    Article  Google Scholar 

  10. C.G. Kinniburgh and J.A. Walker, Surface Science 63, 274 (1977).

    Google Scholar 

  11. M.R. Welton-Cook and W. Berndt, J. Phys. C. Solid State Phys. 15, 5691 (1982).

    Article  ADS  Google Scholar 

  12. E.A. Colbourn and J. Kendrick in “Computer Simulation of Solids”, p.67, ed. C.R.A. Catlow and W.C. Mackrodt, ( Springer-Verlag, Berlin, 1982 ).

    Google Scholar 

  13. C.S. Duke, R.J. Meyer, A. Paton and P. Mark, Phys. Rev. B18, 4225 (1978).

    Article  ADS  Google Scholar 

  14. R.G. Gordon and Y.S. Kim, J. Chem. Phys. 56, 3122 (1972); Y.S. Kim and R.G. Gordon, J. Chem. Phys. 60, 1842 (1973).

    Google Scholar 

  15. A.I.M. Rae, Chem Phys. Lett. 18, 574 (1973).

    Google Scholar 

  16. W,C. Mackrodt, E.A. Colbourn and J. Kendrick, unpublished results.

    Google Scholar 

  17. B.G. Dick and A.W. Overhauser, Phys. Rev. 112, 90 (1958).

    Article  ADS  Google Scholar 

  18. A.R. Sharma and A.M. Stoneham, J. Chem. Soc. 72, 913 (1976).

    Google Scholar 

  19. E.A. Colbourn and W.C. Mackrodt, Solid State Ionics 8, 221 (1983).

    Article  Google Scholar 

  20. D.M. Duffy, J.P. Hoare and P.W. Tacker, J. Phys. C. Solid State Physics 17, L195 (1984).

    Article  ADS  Google Scholar 

  21. C.R.A. Catlow, W.C. Mackrodt, M.J. Hargett and A.M. Stoneham, Phil Mag. 35, 177 (1977).

    Article  ADS  Google Scholar 

  22. R.C. McCune and P. Wynblatt, J. Amer. Ceram. Soc. 66, 111 (1983).

    Article  Google Scholar 

  23. E.A. Colbourn, W.C. Mackrodt and P.W. Tasker, J. Mater. Sci. 18, 1917 (1983).

    MathSciNet  ADS  Google Scholar 

  24. P.W. Tacker, E.A. Colbourn and W.C. Mackrodt, J. Amers Ceram. Soc. 68, 74 (1985)

    Google Scholar 

  25. E.A. Colbourn, W.C. Mackrodt and P.W. Tacker in “Proceedings of the 3rd International Conference on Transport in Non-Stoichiometric Compounds”, ed. V.S. Stubican and G. Siskovitch.

    Google Scholar 

  26. J. Hunan, J. Cunningham, M.A. Deane, E.A. Colbourn and W.C. Mackrodt, Proceedings of an International Conference in memory of A.J. Tench (Brunel University, 1984 ).

    Google Scholar 

  27. E.A. Colbourn, W.C. Mackrodt and P.W. Tacker, Physica (in press).

    Google Scholar 

  28. J.H. Harding, Physica (in press).

    Google Scholar 

  29. P.W. Tacker and D.M. Duffy, Surface Science 137, 91 (1981).

    ADS  Google Scholar 

  30. Y.W; Tsang and L.M. Falicov, Phys. Rev. B 12, 2441 (1975).

    Google Scholar 

  31. E.A. Colbourn, J. Kendrick and W.C. Mackrodt, Surface Science 126, 550 (1983).

    Article  ADS  Google Scholar 

Download references

Author information

Authors and Affiliations

Authors

Editor information

Editors and Affiliations

Rights and permissions

Reprints and permissions

Copyright information

© 1986 Springer Science+Business Media New York

About this chapter

Cite this chapter

Colbourn, E.A. (1986). Computer Simulation of Surface Defects. In: Chadwick, A.V., Terenzi, M. (eds) Defects in Solids. NATO ASI Series. Springer, Boston, MA. https://doi.org/10.1007/978-1-4757-0761-8_15

Download citation

  • DOI: https://doi.org/10.1007/978-1-4757-0761-8_15

  • Publisher Name: Springer, Boston, MA

  • Print ISBN: 978-1-4757-0763-2

  • Online ISBN: 978-1-4757-0761-8

  • eBook Packages: Springer Book Archive

Publish with us

Policies and ethics