Simulation of lattice strain due to CNT-metal interface
Alexander Y. Smolyanitsky, Vinod K. Tewary
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 strains of up to 2% extending over a distance of ~10nm away from the interface. This indicates a possible effect on the CNT-metal contact electrical resistance via local strain-induced modification in the SWCNT electron energy band structure.