Structure-Mechanical Property Relationships in Carbon Nanotube Yarns

Abstract

Carbon nanotube (CNT) is an innovative material with significant potential for a wide range of applications, including but not limited to the development of lightweight composite materials or superconductors. A single CNT demonstrates an exceptional degree of tensile strength. CNTs are commonly employed in a structure of yarn, wherein several CNT strands are arranged and aligned together. CNT yarns, on the other hand, have a lower tensile strength than individual CNTs due to the different parameters of the yarn. This study aimed to investigate the effect of different structural parameters on the mechanical properties of CNT yarn. Sixty CNT yarn models with different structures were simulated with the molecular dynamic (MD) simulation. The varied parameters are the chirality of the CNTs, CNTs’ inner diameter, number of walls, crosslink density, and yarn twist angle. Tensile strength results from the simulations were compared concerning the varied parameters, and their influence on the nominal tensile strength of the CNT yarn was studied. It was found that the parameters for the CNT yarn that yields a higher tensile strength are the armchair type CNT with a small diameter, a large number of walls, crosslink density higher than approximately 1%, and a low twist angle.