About this Abstract |
Meeting |
MS&T22: Materials Science & Technology
|
Symposium
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Synthesis, Characterization, Modeling and Applications of Functional Porous Materials
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Presentation Title |
Mesoscopic Simulations of Tension and Compression of Cross-Linked Carbon Nanotube Films: Effects of the Nanotube Chirality |
Author(s) |
Kevin W. Kayang, Abu H. Banna, Alexey N. Volkov |
On-Site Speaker (Planned) |
Kevin W. Kayang |
Abstract Scope |
The effect of the carbon nanotube (CNT) chirality on the mechanical properties of thin films composed of single-walled CNTs with covalent cross-links is studied based on a multiscale approach that involves atomistic and mesoscopic models. The atomistic simulations are performed to study the shear load transfer in bundles of cross-linked CNTs of various chirality and parameterize a mesoscopic model of cross-links in CNT materials. Large-scale simulations of in-plane tension and compression of CNT films composed of thousands of nanotubes are performed based on a coarse-grained model of CNT network materials. The simulations show that the elastic and inelastic mechanical properties of cross-linked CNT films strongly depend on the CNT radius. It is found that the film modulus increases with increasing CNT radius, while the tensile strength decreases. The obtained results suggest that the optimization of mechanical properties of CNT materials can be achieved by tuning the nanotube chirality distribution. |