Tribological properties of carbon nanotube bundles predicted from atomistic simulations

作者: Boris Ni , Susan B. Sinnott

DOI: 10.1016/S0039-6028(01)01073-1

关键词: Carbon nanotubeMolecular dynamicsMechanical properties of carbon nanotubesCarbonComposite materialDiamondBundleShear forceNanotubeMaterials scienceNanotechnology

摘要: Abstract Classical molecular dynamics simulations are used to investigate the responses of bundles single-walled carbon nanotubes compressive and shear forces between two sliding diamond surfaces. The on atoms in determined using a many-body reactive empirical potential for hydrocarbons coupled Lennard–Jones potentials. predict that can be subjected high prior wear because their flexibility. response applied is bundle or combination rolling, where exact depend orientation bonding nanotube No rolling against other predicted occur any orientations considered.

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