• Proceedings of the KSME Conference
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• 2004.11a
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• pp.400-403
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• 2004

We present a coarse-graining model to describe the mechanical behaviors of multi-walled carbon nanotubes. To find the atomic configuration in membrane-like nanostructure i.e. carbon nanotube, we employ interpolation functions and the associated element-variables that are defined in the subdivided region. Tersoff-Brenner potential is adopted for interaction of bonded atoms and also van der Waals force for non-bonded interaction. Moreover, we simulate the coarse-graining multi-walled carbon nanotubes with defects and its result is compared with that of perfect multi-walled carbon nanotubes.

• Proceedings of the KSME Conference
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• 2004.04a
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• pp.542-546
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• 2004

Fully non-local Quasicontinuum method using sub-divided region with Hermite interpolation function is proposed for simulation of carbon nanotube. Tersoff-Brenner potential is adopted for interaction of bonded atoms and also van der Waals force for non-bonded interaction. Bending of single wall carbon nanotube with chirality (20,0) and 15nm length is simulated up to 90 degree. Bending of double wall carbon nanotube with chirality (20,0) and (12,0) is simulated up to 65 degree. Bending of four wall carbon nanotube is simulated up to 45 degree.