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Atomistic Simulation of Formation and Structure of Misfit Dislocations

Published online by Cambridge University Press:  25 February 2011

A.S. Nandedkar ,
C.S. Murthy  and
G.R. Srinivasan
A.S. Nandedkar
Affiliation:
Theoretical Modeling Department, IBM Hast Fishkill Laboratory, Hopewell Junction, NY 12533–0999
C.S. Murthy
Affiliation:
Theoretical Modeling Department, IBM Hast Fishkill Laboratory, Hopewell Junction, NY 12533–0999
G.R. Srinivasan
Affiliation:
Theoretical Modeling Department, IBM Hast Fishkill Laboratory, Hopewell Junction, NY 12533–0999
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Abstract

In our earlier work [1] we had reported first theoretical observations of the spontaneous formation of 60° and 90° misfit dislocations in Au/Ni (15.9% mismatch) systems for the (111) and (001) interfaces respectively. Here, we present the analysis of the evolution of the dislocation configuration as it evolves from a highly strained coherent Au film. The driving force for the formation of these misfit dislocations was the reduction in the config-urational energy during the iterative relaxation of the atoms. A finely stepped energy minimization technique was developed to relax the high energy configuration. Misfit dislocations were also obtained for low misfit systems (Pd/Ni - 10% and Pd/Cu - 7.76%), but a modified approach, which is described here, was used for these systems which shows an energy barrier to the formation of dislocations in the low misfit systems.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 202: Symposium C – Evolution of Thin Film and Surface Microstructure , 1990 , 525
Copyright
Copyright © Materials Research Society 1991

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References

REFERENCES

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