作者: Fatemeh Yazdandoost , Reza Mirzaeifar , Zhao Qin , Markus J. Buehler
DOI: 10.1039/C7NR00312A
关键词: Bridging (networking) 、 Scale (ratio) 、 Deformation mechanism 、 Composite material 、 Molecular dynamics 、 Multiscale mechanics 、 Shear strength 、 Materials science 、 Carbon nanotube 、 Polymer
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