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Computer Simulation of Misfit Dislocation Mobility in Cu/Ni and Cu/Ag Interfaces

Published online by Cambridge University Press:  14 March 2011

Richard J Kurtz ,
Richard G. Hoagland  and
Howard L. Heinisch Jr.
Richard J Kurtz
Affiliation:
Pacific Northwest National Laboratory Richland, WA 99352
Richard G. Hoagland
Affiliation:
Los Alamos National Laboratory Los Alamos, NM 87545
Howard L. Heinisch Jr.
Affiliation:
Pacific Northwest National Laboratory Richland, WA 99352
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Abstract

The mobility of misfit dislocations in semicoherent Cu/Ni and Cu/Ag interfaces is determined by molecular dynamics and elastic band simulation methods. Cube-on-cube oriented Cu/Ni and Cu/Ag systems were studied with the interfaces parallel to (010). Core structures of misfit dislocations in semicoherent interfaces are found to be quite different in these systems. In Cu/Ni the misfits have very narrow cores in the plane of the interface. Consequently, the shear stress to move these dislocations is large, ∼1.1 GPa. The core width and hence the misfit mobility can be changed by placing the misfit away from the chemical interface. Placement of the misfit oneatom layer into the Cu increased the core width a factor of 1.6 and lowered the threshold shear stress to 0.4 GPa. The misfit dislocations in Cu/Ag interfaces, on the other hand, are wide and therefore are much more mobile. The threshold shear stress for misfit movement in Cu/Ag is very low, ∼0.03 GPa.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 634: Symposium B – Structure and Mechanical Properties of Nanophase Materials-Theory & Computer Simulations vs. Experiment , 2000 , B2.9.1
Copyright
Copyright © Materials Research Society 2001

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References

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