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  • Open Access

    ABSTRACT

    The multiscale analysis of polycrystalline metals and its interface with a-Al2O3 under tension

    Qin Siwei, Shen SP

    The International Conference on Computational & Experimental Engineering and Sciences, Vol.19, No.2, pp. 53-54, 2011, DOI:10.3970/icces.2011.019.053

    Abstract Among many multiscale methods ,we choose the quasicontinuum method to understand the mechanical response at the nanocrystalline of grain boundaries(GBs) under tension. The energetic and mechanical strength of 6 i?"<110> symmetric tilt GBs are investigated in nanocrystalline Cu and Ni. We focus on discussing the interaction of the structural units of symmetric tilt GB for the initial deformation mode and the strength of model. At the basis of the previous, We study the nanocrystalline Cu/a-Al2O3 interface and analyze the relationship during the grains orientations, GB energy and interface. Special emphasis is placed on the crystal slip More >

  • Open Access

    ARTICLE

    A Quasicontinuum Method for Deformations of Carbon Nanotubes

    Jong Youn Park1, Young-Sam Cho2, Sung Youb Kim1, Sukky Jun3, Seyoung Im1

    CMES-Computer Modeling in Engineering & Sciences, Vol.11, No.2, pp. 61-72, 2006, DOI:10.3970/cmes.2006.011.061

    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. More >

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