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Mechanical Behaviors of Carbon Nanotubes by Lu-Wen Zhang, Yan Jianwei, K.M. Liew

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Chapter 5

Atomic Finite Element Method and Coupling With Atomistic-Continuum Method

Abstract

This chapter presents a multiscale method by coupling the developed atomistic-continuum theory with an atomic finite element method. It takes advantage of both continuum and atomic simulations and is currently a popular technique in the modeling of large-scale nanostructures. The critical bending angle for buckling of (12, 12) carbon nanotube is 13 degrees in both coupling simulation and atomic finite element method, along with well-agreed energy change from the two methods both before and after the buckling occurs. In Chapter 4, Atomistic-Continuum Theory, the atomistic-continuum simulation presents very precise results prior to buckling but less precise ...

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