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Dislocation Nucleation at a Surface Step by a Multiscale Approach

Published online by Cambridge University Press:  01 February 2011

Chengzhi Li ,
Darren Segall  and
Guanshui Xu
Chengzhi Li
Affiliation:
Department of Mechanical Engineering, University of California, Riverside, CA 92521
Darren Segall
Affiliation:
Department of Applied Physics, California Institute of Technology, Pasadena, CA 91125
Guanshui Xu
Affiliation:
Department of Mechanical Engineering, University of California, Riverside, CA 92521
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Abstract

Nucleation of a <111> screw dislocation at a step from a {112} surface of tantalum has been studied by a multiscale approach. The profile of the dislocation, represented by the relative displacement between two adjacent atomic layers along the slip plane, is solved based on the variational boundary integral formulation of the Peierls-Nabarro dislocation model, in which the interatomic potential is incorporated based on atomic calculations of generalized stacking fault energies. The results show that the atomic scale step significantly facilitates dislocation nucleation from the surface. The results from all atom calculations are also presented to corroborate the results obtained by this multiscale approach.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 841: Symposium R – Fundamentals of Nanoindentation and Nanotribology III , 2004 , R11.3
Copyright
Copyright © Materials Research Society 2005

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References

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