Nano-plasticity of Single-Wall Carbon Nanotubes under Uniaxial Compression
نویسنده
چکیده
Nano-plasticity of thin single-wall carbon nanotubes under uniaxial compression is investigated through generalized tight-binding molecular dynamics (GTBMD) and ab-initio electronic structure methods. A novel mechanism of nano-plasticity of carbon nanotubes under uniaxial compression is observed in which bonding geometry collapses from a graphitic (sp 2) to a localized diamond like (sp 3) reconstruction. The computed critical stress (_ 153 G Pa) and the shape of the resulting plastic deformation is in good agreement with recent experimental observation of collapse and fracture of compressed carbon nanotubes in polymer composites. Typeset using REVTE X https://ntrs.nasa.gov/search.jsp?R=20000085898 2017-11-06T20:49:25+00:00Z
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