Carbon nanotubes (CNTs) are regarded as promising materials in various disciplines, but their current applications are still hindered, due to the lack of capability for simulating CNT in bulk. With a new simulation methodology titled the mesoscopic Distinct Element Method (mDEM), we are able to help address this challenge. Taking parameters from atomistic simulations, mDEM bridges the gap between atomistic and mesoscopic length scales. Validated through experiments, our hypothesis-driven research reveals the large deformation mechanism and structural evolution when a CNT network mechanism of CNT network via tensile tests until fracture. At small and moderate deformations, zipping relaxations along the applied strain direction dictates the microstructural evolution. At larger deformations, energetic elasticity promotes yarn densification, by relaxing CNT waviness and eliminating squashed pores. Besides the strain-induced alignment process, polymeric friction also promoted CNT alignment by enabling load transfer. Our parametric studies could not only guide manufacturing industry to achieve high quality yarn, but also potentially offer an effective way to model fibrous materials in general.

Friction Impact on Structural Evolution in Carbon Nanotube Yarn Formation: A Distinct Element Method Study

The Virtual Technical Meeting of the Society of Engineering Science 2020 is the first fully virtual meeting of the SES community to envision and connect during the hiatus created by Covid-19, providing a platform for the exchange of ideas, and to showcase the latest research in the field of engineering science.

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