Investigation of the Mechanical Properties of Single-walled Carbon Nanotubes by Energy Minimization Method

• Main Authors: Guo-Jer Huang, 黃國哲
• Other Authors: Yeau-Ren Jeng
• Format: Others
• Language: zh-TW
• Published: 2006
• Online Access: http://ndltd.ncl.edu.tw/handle/97424184644246873008

碩士 === 國立中正大學 === 機械工程所 === 95 === The mechanical property of Carbon nanotubes is much better than most materials, and the tensile test is the best way to measure their mechanical properties. It’s very difficult to perform single wall Carbon nanotube(SWNT) tensile test, and, thus molecule dynamics(MD) simulation is usually adopted for the analysis. However, the time step used in MD simulation is in the range of femto second, which would result in a lot of computation time. In this research, energy minimization method with Tersoff potential is used to simulate SWNT under tensile test, and the mechanical properties, i.e. Young’s modulus and Poisson’s ratio are investigated. Meanwhile, the chiral, size and void effects on the mechanical properties of SWCNT are studied as well, and the simulation results are compared with data from literatures Simulation results show that Young’s modulus and Poisson’s ratio of SWNT is about 1300GPa and 0.3 respectively. The Poisson’s ratio obtained from this method is about the same as the value reported in the literature but the value of Young’s modulus is slightly higher. It is learned that the chiral and size effects are not as pronounced for SWCNT, but the void ratio would affect Young’s modulus significantly.