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

Conference ·
OSTI ID:958257
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 one atom layer into the Cu increased the core width almost a factor of four 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.
Research Organization:
Pacific Northwest National Laboratory (PNNL), Richland, WA (US)
Sponsoring Organization:
USDOE
DOE Contract Number:
AC05-76RL01830
OSTI ID:
958257
Report Number(s):
PNNL-SA-34071; KC0201020
Country of Publication:
United States
Language:
English

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