A Multiscale Modeling Approach for Carbon Nanotubes
This paper introduces a multiscale modeling approach for carbon nanotubes (CNTs), in which a fine continuum model that has been developed by the present authors is employed to implement the continuum modleing. The entire domain is decomposed into a continuum modeling region and an atomic region with an overlapping region. For the atomic region, the atomic finite element method (AFEM) is used to trace the individual atomic motion. Whereas, the continuum region is viewed as the higher-order continuum media, and the mesh-free method is adopted to implement the continuum numerical discrization. For the overlapping region, the bridging domain method is used to efficiently couple two scales. Numerical computation is carried out and several examples are discussed.
Zhengyi Jiang and Chunliang Zhang
Y. Z. Sun et al., "A Multiscale Modeling Approach for Carbon Nanotubes ", Advanced Materials Research, Vols. 97-101, pp. 4201-4205, 2010