Numerical simulation of the mechanical behavior of a carbon nanotube bundle

Due to their outstanding mechanical properties, carbon nanotubes (CNTs) are very promising materials for further applications in the field of lightweight construction. Carbon nanotube fibers, whose structure consists of a multitude of load-bearing carbon nanotube bundles interconnected by threads, are an excellent possibility to utilize these properties as engineering material. In the present research, a new method for the prediction of the mechanical properties of carbon nanotube bundles is presented. Within this, the complex structure is transformed into a simplified model based on suitable assumptions. Several parameters of the bundle are taken into account such as different types of nanotubes and various nanotube lengths. The model is applied to different configurations of carbon nanotube bundles by using a molecular mechanics approach. The interactions between the nanotubes are investigated by analyzing the Lennard–Jones potential in a virtual tensile loading test. For different configurations, the resulting forces and stresses are obtained. The results give a clear insight into the influencing parameters and demonstrate their effect on the mechanical behavior. In conclusion, the present approach is an excellent method to analyze the mechanical behavior of CNT bundles.