Multiscale mechanics of the lateral pressure effect on enhancing the load transfer between polymer coated CNTs

作者: Fatemeh Yazdandoost , Reza Mirzaeifar , Zhao Qin , Markus J. Buehler

DOI: 10.1039/C7NR00312A

关键词: Bridging (networking)Scale (ratio)Deformation mechanismComposite materialMolecular dynamicsMultiscale mechanicsShear strengthMaterials scienceCarbon nanotubePolymer

摘要: While individual carbon nanotubes (CNTs) are known as one of the strongest fibers ever known, even fabricated macroscale CNT yarns and still significantly weaker than nanotubes. The loss in mechanical properties is mainly because deformation mechanism highly governed by weak shear strength corresponding to sliding on each other. Adding polymer coating bundles, twisting enhance intertube interactions both efficient methods improve yarns. Here, we perform molecular dynamics (MD) simulations unravel unknown chains also local deformations CNTs at atomistic scale. Our results show that lateral pressure can have beneficial adverse effects coated CNTs, depending In this paper introduce a bottom-up bridging strategy between full model coarse-grained (CG) model. trained CG capable incorporating scale larger collect behavior which enables accurately predict effect bundles developed multiscale implemented study straight yarns, pull-out force spun

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