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.
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References
W.C. Mackrodt, in “Computer Simulation of Solids”, p.175, ed. C.R.A Catlow and W.C. Mackrodt (Springer-Verlag, Berlin, 1982)
P.W. Tasker, in “Computer Simulation of Solids”, p.288, ed. C.R.A. Catlow and W.C. Mackrodt ( Springer-Verlag, Berlin, 1982 ).
W.C. Mackrodt and R.F. Stewart, J. Phys. C. Solid State Phys. 10, 431 (1977).
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).
D.M. Duffy and P.W. Tasker, Advances in Ceramics 10, 275 (1984).
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).
D.E. Parry, Surface Science 49, 433 (1975); Surface. Science 54, 195 (1976).
P.W. Tasker, AERE Harwell, Report AERE-R. 9130 (1978).
M.J. Sanders, C.R.A. C.tlow and J.V. Smith, J Phys. Chem 68, 2796 (1984).
C.G. Kinniburgh and J.A. Walker, Surface Science 63, 274 (1977).
M.R. Welton-Cook and W. Berndt, J. Phys. C. Solid State Phys. 15, 5691 (1982).
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 ).
C.S. Duke, R.J. Meyer, A. Paton and P. Mark, Phys. Rev. B18, 4225 (1978).
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).
A.I.M. Rae, Chem Phys. Lett. 18, 574 (1973).
W,C. Mackrodt, E.A. Colbourn and J. Kendrick, unpublished results.
B.G. Dick and A.W. Overhauser, Phys. Rev. 112, 90 (1958).
A.R. Sharma and A.M. Stoneham, J. Chem. Soc. 72, 913 (1976).
E.A. Colbourn and W.C. Mackrodt, Solid State Ionics 8, 221 (1983).
D.M. Duffy, J.P. Hoare and P.W. Tacker, J. Phys. C. Solid State Physics 17, L195 (1984).
C.R.A. Catlow, W.C. Mackrodt, M.J. Hargett and A.M. Stoneham, Phil Mag. 35, 177 (1977).
R.C. McCune and P. Wynblatt, J. Amer. Ceram. Soc. 66, 111 (1983).
E.A. Colbourn, W.C. Mackrodt and P.W. Tasker, J. Mater. Sci. 18, 1917 (1983).
P.W. Tacker, E.A. Colbourn and W.C. Mackrodt, J. Amers Ceram. Soc. 68, 74 (1985)
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.
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 ).
E.A. Colbourn, W.C. Mackrodt and P.W. Tacker, Physica (in press).
J.H. Harding, Physica (in press).
P.W. Tacker and D.M. Duffy, Surface Science 137, 91 (1981).
Y.W; Tsang and L.M. Falicov, Phys. Rev. B 12, 2441 (1975).
E.A. Colbourn, J. Kendrick and W.C. Mackrodt, Surface Science 126, 550 (1983).
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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
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DOI: https://doi.org/10.1007/978-1-4757-0761-8_15
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