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Estimation and validation of elastic modulus of carbon nanotubes using nano-scale tensile and vibrational analysis
Journal article   Peer reviewed

Estimation and validation of elastic modulus of carbon nanotubes using nano-scale tensile and vibrational analysis

C.J. Wu, C.Y. Chou, C.N. Han and K.N. Chiang
CMES - Computer Modeling in Engineering and Sciences, Vol.41(1), pp.49-67
2009

Abstract

Atomistic-continuum method Carbon nanotubes Finite element Modal analysis REBO Young's modulus
In this paper, the atomistic-continuum mechanics method (ACM) is applied for carbon nanotube modeling. The atomistic-continuum mechanics is based on the transformation of chemical bonds between atoms in molecular me- chanics into appropriate elements in finite element method and continuum mechan- ics. Spring elements are treated as chemical bonds between carbon atoms in carbon nanotube, whose force-displacement function is determined by the Reactive Empir- ical Bond Order (REBO) potential model. The advantages and unique feature of ACM method is same analytical model can be used for both tensile and vibration analyses, and most importantly, there are no prior inputs such as Young's Mod- ulus, cross-section area and density will be needed in the frequency analysis of ACM approach. As a result, not only Young's modulus could be obtained but also modal analysis could be achieved with affordable computational time by personal computers. The validity of the results is demonstrated through comparisons to nu- merical and experimental results provided by other papers. In addition, based on classic structural dynamics, the feasibility of the ACM method has been verified by comparing the results of Young's modulus analysis and modal analysis. Copyright © 2009 Tech Science Press.

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