A quasicontinuum method for deformations of carbon nanotubes
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- A quasicontinuum method for deformations of carbon nanotubes
- Park, Jong Youn; Cho, Young-Sam; Kim, Sung Youb; Jun, Sukky; Im, Seyoung
- Carbon nanotube; Coarse-grained model; Multiscale; Quasicontinuum method
- Issue Date
- TECH SCIENCE PRESS
- CMES-COMPUTER MODELING IN ENGINEERING & SCIENCES, v.11, no.2, pp.61 - 72
- We present a coarse-graining computation for deformations of CNTs (carbon nanotubes) via QC (quasicontinuum), particularly targeting analysis of multi-walled carbon nanotubes. Higher order triangular elements are utilized for proper interpolation of atom positions of the CNT on the basis of QC approach. The computing scheme enables one to differentiate between the fully atomistic zone and the coarse-grained zone in the framework of the multiscale computing. Several numerical examples demonstrate the effectiveness and accuracy of the present methodology.
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