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Investigation of Carbon Nanotube Mechanical Properties Using Atomistic-Continuum Mechanics Method

C-J Wu, C-Y Chou, C-N Han and K-N Chiang
Advanced Microsystem Packaging and Nano-Mechanics Research Laboratory, National Tsing Hua University, TW

Keywords:
atomistic continuum mechanics method, Young’s modulus, single-walled carbon nanotube, SWCNT, FEM, ACM

Abstract:
This paper utilizes atomistic-continuum mechanics method (ACM) to investigate the mechanical properties of single-walled carbon nanotubes (SWCNTs). Fundamental to the proposed concept is the perception that a carbon nanotube is a geometrical frame-like structure, and the potential energy between carbon atoms is equivalent to atomistic-continuum transformation elements by specific potential function and finite element method (FEM). By establishing a linkage between structural mechanics and molecular mechanics, the Young’s moduli of single-walled carbon nanotubes are obtained. According to atomistic-continuum mechanics method and finite element method, an effective atomistic-continuum model is demanded to investigate Young’s moduli of single-walled carbon nanotubes with affordable computational time by personal computer.

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