Development of an accurate molecular mechanics model for buckling behavior of multi-walled carbon nanotubes under axial compression |
| |
| Affiliation: | 1. Young Researchers and Elite Club, Electronic Branch, Islamic Azad University, Tehran, Iran;2. Department of Mechanical Engineering, San Diego State University (SDSU), San Diego, CA 92115, USA;3. Department of Mechanical Engineering, Ajabshir Branch, Islamic Azad University, Ajabshir, Iran;1. Department of Mechanical Engineering, Amirkabir University of Technology, Tehran, Iran;2. Department of Mechanical Engineering, University of Alberta, Edmonton, AB, Canada;3. Department of Mechanics and Aerospace Engineering, Southern University of Science and Technology, Shenzhen 518055, PR China;1. Department of Mechanical Engineering, Amirkabir University of Technology, Tehran 15875-4413, Iran;2. New Technologies Research Center, Amirkabir University of Technology, Tehran 15875-4413, Iran;1. Department of Chemistry and Chemical Engineering, Lvliang University, Lvliang, 033001, China;2. Department of Civil Engineering, Najafabad Branch, Islamic Azad University, Najafabad, Iran;3. Young Researchers and Elites Club, Science and Research Branch, Islamic Azad University, Tehran, Iran;4. Department of Mechanical Engineering, College of Engineering, Kyung Hee University, Yongin, 446-701, Republic of Korea;1. Department of Mechanical Engineering, Tsinghua University, Beijing, 100084, China;2. Young Researchers and Elite Club, Khomeinishahr Branch, Islamic Azad University, Khomeinishahr, Iran;1. Department of Mechanical Engineering, Faculty of Engineering, University of Qom, Qom, Iran;2. Mechanical Engineering Department, Amirkabir University of Technology, Tehran, Iran |
| |
| Abstract: | In the present paper, an analytical solution based on a molecular mechanics model is developed to evaluate the elastic critical axial buckling strain of chiral multi-walled carbon nanotubes (MWCNTs). To this end, the total potential energy of the system is calculated with the consideration of the both bond stretching and bond angular variations. Density functional theory (DFT) in the form of generalized gradient approximation (GGA) is implemented to evaluate force constants used in the molecular mechanics model. After that, based on the principle of molecular mechanics, explicit expressions are proposed to obtain elastic surface Young’s modulus and Poisson’s ratio of the single-walled carbon nanotubes corresponding to different types of chirality. Selected numerical results are presented to indicate the influence of the type of chirality, tube diameter, and number of tube walls in detailed. An excellent agreement is found between the present numerical results and those found in the literature which confirms the validity as well as the accuracy of the present closed-form solution. It is found that the value of critical axial buckling strain exhibit significant dependency on the type of chirality and number of tube walls. |
| |
| Keywords: | Nanomechanics Carbon nanotubes Axial buckling Molecular mechanics model Density functional theory |
| 本文献已被 ScienceDirect 等数据库收录！ |
|
