Mesoscale simulation techniques are becoming increasingly important due to the interest in complex mechanical problems involving nanoscale structures and materials. This work is devoted to the development of a novel mesoscopic modeling technique based on an extension of the distinct element method and its application to the problem of mechanical modeling of carbon nanotube materials. Starting from an atomistic description, the important interactions between segments of the tubes are encapsulated into two types of contact models. The nanomechanics of intratube bonds is characterized by the parallel bond contact model. Intertube interactions are accounted for by an anisotropic vdW contact model. Energy dissipation is formulated in a top-down manner, based on the macroscopic mechanical properties of carbon nanotube materials. The developed model is applied to the analysis of various mesoscopic structures and materials - self-folded nanotube configurations, nanotube bundles and ropes, nanotube papers and films. The results of mesoscopic simulations not only are in good agreement with experimental observations, but they also provide interesting insights on the roles of effects of morphology, vdW adhesion and registry, cross-linking and energy dissipation on the nanomechanics of carbon nanotube based materials.
University of Minnesota Ph.D. dissertation. May 2014. Major: Civil Engineering. Advisors: Roberto Ballarini, Traian Dumitrica. 1 computer file (PDF); xiv, 130 pages, appendices A-B.
Ostanin, Igor Aleksandrovich.
Multiscale modeling of carbon nanotube materials with distinct element method.
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