Simulation of lattice strain due to a CNT-metal interface.
We report an atomistic molecular statics study of strains in single wall carbon nanotubes (SWCNTs) interfaced with a planar nickel surface. We calculate axial and radial strain distributions along the SWCNT axis. We demonstrate axial strains of up to 2% extending over a distance of ∼ 10 nm away from the interface along the CNT axis. In addition to the effect of strains on the thermal and mechanical properties of a CNT-metal contact, our results suggest a significant contribution to the contact electrical resistance via local strain-induced modification in the SWCNT electron energy band structure.
Materials Reliability Division, National Institute of Standards and Technology, Boulder, CO 80305, USA. alex.smolyanitsky@nist.gov
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