Hostname: page-component-586b7cd67f-dsjbd Total loading time: 0 Render date: 2024-11-29T09:25:36.421Z Has data issue: false hasContentIssue false
  • English
  • Français

Atomistic Simulation and Elastic Theory of Surface Steps

Published online by Cambridge University Press:  21 February 2011

L. E. Shilkrot  and
D. J. Srolovitz
L. E. Shilkrot
Affiliation:
Department of Materials Science and Engineering, University of Michigan, Ann Arbor, MI 48109-2136
D. J. Srolovitz
Affiliation:
Department of Materials Science and Engineering, University of Michigan, Ann Arbor, MI 48109-2136
Get access

Abstract

Atomistic computer simulations and anisotropic elastic theory are employed to determine the elastic fields of surface steps and vicinal surfaces. The displacement field of and interaction energies between <100> steps on an {001} Ni surface are determined using atomistic simulations and EAM potentials. The step-step interaction energy found from the simulations is consistent with a surface line force dipole elastic model of a step. We derive an anisotropic form for the elastic field associated with a surface line force dipole using a two dimensional surface Green tensor for a cubic elastic half-space. Both the displacement fields and step-step interaction energy predicted by the theory are shown to be in excellent agreement with the simulations.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 399: Symposium D – Evolution of Epitaxial Structure and Morphology , 1995 , 505
Copyright
Copyright © Materials Research Society 1996

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

REFERENCES

1 Marchenko, V.I. and Ya, A.. Parshin, Zh. Eksp. Teor. Fiz. 79, 257 (1980) [Sov. Phys. JETP 52, 129 (1980)].Google Scholar
2 Srolovitz, D. J. and Hirth, J.P., Surf. Sci. 255, 111 (1991).Google Scholar
3 Wolf, D. and Jaszczak, J.A., Surf. Sci. 277, 301 (1992).Google Scholar
4 Najafabadi, R. and Srolovitz, D.J., Surf. Sci. 317, 221 (1994).Google Scholar
5 Stewart, J., Pohland, O., and Gibson, J. M., Phys. Rev. B 49, 13848 (1994).Google Scholar
6 Pohland, O., Tong, X., and Gibson, J.M., J. Vac. Sci. Technol. A 11, 1837 (1993).Google Scholar
7 Shilkrot, L.E. and Srolovitz, D.J., to be published.Google Scholar
8 Foiles, S. M., Baskes, M.I., and Daw, M.S., Phys. Rev. B 33, 7983 (19986).Google Scholar
9 Press, W.H. et al., Numerical Recipes in C: The Art of Scientific Computing, 2nd Ed.; pp.420–25, Cambridge, University Press, NY 1992.Google Scholar
10 See, for example Ref. 5.Google Scholar
11 Rickman, J.M. and Srolovitz, D. J., Surf. Sci. 284, 211 (1993).Google Scholar