The analysis of the elastic properties of armchair and zigzag single-walled carbon nanotubes

Abstract

Computation simulation is a powerful tool for predictiong the mechanics models of elastic properties of armchair and zigzag single-walled nanotubes. The aim of this work is investigation and comparison of Young’s modulus, shear modulus and Poisson’s ratio variations of armchair and zigzag tubes as functions of diameter. We obtained a set of concise, closed form expressions for the size-dependent elastic modulus, shear modulus and Poisson’s ratio of armchair (n, n) and zigzag (n, 0) nanotubes, which are basic for constructing mathematical models of elastic properties of SWNTs. We investigated armchair nanotubes with chirality (3, 3)–(40, 40) and zigzag (3, 0)–(40, 0) with diameters 4,2–54,2 Å and 2,4–31,3 Å respectively. We calculated Young’s modulus to be 0,26–2,95 TPa for armchair and 0,5–3,7 TPa for zigzag nanotubes. The shear modulus calculated for armchair nanotube appeared to be in the range of 0,2–2,0 TPa and for zigzag one in the range of 0,2–2,7 TPa. Specifically, it was inverse dependences of Young’s modulus and shear modulus on diameter. The Poisson’s ratio was in range from 0,28 to 0,42 and from 0,27 to 0,39, respectively. Results of this research can be used for design, analysis and evaluating of nanotubes unctioning and creating new materials based on CNTs. When you are citing the document, use the following link http://essuir.sumdu.edu.ua/handle/123456789/20630