Predicted mechanical properties of a coiled carbon nanotube

Nanostructured carbon materials continue to attract much interest for use in devices and as fillers in composites. Here, classical molecular dynamics simulations are carried out using many-body empirical potentials to contrast the mechanical properties of straight and coiled carbon nanotubes. The specific properties of a coiled carbon nanotube (CCNT) are investigated under compression, tension, re-compression, re-tension and pullout from a polyethylene (PE) matrix. The stress-strain curves, spring constants, and yielding strains under compression and tension are given for each system, and the corresponding reasons for the differences in their behavior are discussed. They indicate that the interaction between a CCNT and a PE matrix is stronger than the corresponding interactions between CNTs and PE. Thus, the results indicate that CCNTs are good potential candidates for lightweight, tough composites.