Enhanced critical pressure for buckling of carbon nanotubes due to an inserted linear carbon chain

• Recent findings of linear carbon-atom chains (C-chains) inside carbon nanotubes havestimulated considerable interest. In this work, molecular dynamics (MD) simulation and anelastic string–elastic shell model is adopted to study radial pressure-induced buckling ofsingle-walled carbon nanotubes (SWCNT) filled with a C-chain. The continuum model predictsthat the C-chain increases critical buckling pressure considerably (about 40%–160%) forSWCNTs of diameters ranging from 0.68 to 0.72 nm, in reasonable quantitative agreement withthe prediction of MD simulation. In particular, the MD simulation confirms that the originallycircular cross section of filled SWNTs becomes elliptical after buckling, as predicted by thecontinuum model.

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NATURVETENSKAP  -- Fysik (hsv//swe)

NATURAL SCIENCES  -- Physical Sciences (hsv//eng)

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