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Nanoplasticity of Single-Wall Carbon Nanotubes under Uniaxial Compression
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Computer simulations revealed a novel mechanism by which carbon nanotubes deform plastically under compression, where their bonding geometry shifts from a flat graphite-like structure to a localized diamond-like arrangement. This nanotechnology study has no connection to environmental microplastics or human health.
Nanoplasticity of thin single-wall carbon nanotubes under uniaxial compression is investigated using generalized tight-binding molecular dynamics, and ab initio electronic structure methods. A novel mechanism of nanoplasticity of carbon nanotubes under uniaxial compression is observed in which bonding geometry collapses from a graphitic ( ${\mathrm{sp}}^{2}$) to a localized diamondlike ( ${\mathrm{sp}}^{3}$) reconstruction. The computed critical stress ( $\ensuremath{\approx}153\mathrm{GPa}$) and the shape of the resulting plastic deformation is in good agreement with recent experimental observations.
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