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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
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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

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References

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