TY - EJOU AU - Park, Jong Youn AU - Cho, Young-Sam AU - Kim, Sung Youb AU - Jun, Sukky AU - Im, Seyoung TI - A Quasicontinuum Method for Deformations of Carbon Nanotubes T2 - Computer Modeling in Engineering \& Sciences PY - 2006 VL - 11 IS - 2 SN - 1526-1506 AB - 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. KW - Multiscale KW - Coarse-grained model KW - Carbon nanotube KW - Quasicontinuum method DO - 10.3970/cmes.2006.011.061