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Kim, Sung Youb
Computational Advanced Nanomechanics (CAN) Lab
Research Interests
  • Computational Mechanics

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A quasicontinuum method for deformations of carbon nanotubes

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Title
A quasicontinuum method for deformations of carbon nanotubes
Author
Park, Jong YounCho, Young-SamKim, Sung YoubJun, SukkyIm, Seyoung
Keywords
Carbon nanotube; Coarse-grained model; Multiscale; Quasicontinuum method
Issue Date
200602
Publisher
TECH SCIENCE PRESS
Citation
CMES-COMPUTER MODELING IN ENGINEERING & SCIENCES, v.11, no.2, pp.61 - 72
Abstract
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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DOI
http://dx.doi.org/10.3970/cmes.2006.011.061
ISSN
1526-1492
Appears in Collections:
MNE_Journal Papers
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