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- Kim, Sung Youb
- Computational Advanced Nanomechanics Lab.
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A quasicontinuum method for deformations of carbon nanotubes
- Author(s)
- Park, Jong Youn, Cho, Young-Sam, Kim, Sung Youb, Jun, Sukky, Im, Seyoung
- Issued Date
- 2006-02
- 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.
- Publisher
- TECH SCIENCE PRESS
- ISSN
- 1526-1492
- Keyword (Author)
- multiscale, coarse-grained model, carbon nanotube, quasicontinuum method
- Keyword
- FINITE-ELEMENT, DISLOCATION JUNCTIONS, SINGLE-WALL, MLPG METHOD, PLASTICITY, STRENGTH, DEFECTS, SCALES, MEMORY, MODEL
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