A study of mechanical behaviour of carbon nanotubes using Tinker.
Xu, Xiao Feng.
Date of Issue2003
School of Mechanical and Aerospace Engineering
Molecular dynamics methods are becoming a main stream science in many fields such as material science, chemistry, molecular biology, nanotechnology, etc. Since the discovery of carbon nanotubes in 1991, their amazing stiffness, strength and resilience attracted much attentions. Molecular dynamic simulation is a key tool to investigate the mechanical behaviors of carbon nanotubes. Tinker, a molecular modeling software, is a complete and general package for molecular mechanics and dynamics. In this work, step by step procedures are presented to demonstrate usage and functions of Tinker. The mechanical behaviors of carbon nanotubes are studied using Tinker. Two carbon nanotubes, namely, nanotube 1 and nanotube 2 have been built using the Tinker program.
Nanyang Technological University