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Computer Simulation of Surface Defects

  • E. A. Colbourn
Part of the NATO ASI Series book 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.

Keywords

Topological Defect Surface Segregation Bulk Defect Ewald Summation Kink Site 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Springer Science+Business Media New York 1986

Authors and Affiliations

  • E. A. Colbourn
    • 1
  1. 1.Imperial Chemical Industries plcNew Science GroupThe Heath, RuncornUK

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