On the characterization of the elastic properties of asymmetric single-walled carbon nanotubes

• We estimate stiffness of the asymmetric SWCNTs with three dimensional equation.
• We develop physical factor (CF) for simplification of first equation.
• The proposed CF converts any symmetric and asymmetric geometry (n and m) into a value between 0 and 1.
• Developing CF will increase accuracy of prediction.
• Developing CF can be useful for selecting asymmetric SWCNTs.

In order to characterize asymmetric single-walled carbon nanotubes, an algorithm has been developed based on numerical simulation to relate the physical geometry to the elastic properties of asymmetric single-walled carbon nanotubes (SWCNTs). A large number of finite element results for the stiffness of asymmetric SWCNTs has been used to develop a best surface fitting function to define the relationship between the geometry of SWCNTs and their stiffness. However, since the stiffness of asymmetric nanotubes depends upon the configuration parameters, n and m, it was impossible to define any diameter dependency. Based on the maximum reaction force concept and in order to account for the hidden mechanical behavior of asymmetric SWCNTs, the chiral factor (CF) has been employed in this study. The proposed CF converts any asymmetric geometry (n and m) into a value between 0 and 1. A group of the SWCNTs with the same applied boundary condition (n+m=30) and different range of the CF was also used for studying of the shear contribution. The chiral factor dependency, which is developed in this study, is applicable for characterising and selecting asymmetric SWCNTs in the design of advanced nanomaterials. Furthermore, the equation which is calculated in this study can be useful for finding the best criteria for selecting asymmetric SWCNTs.