Study On Mechanical Behaviors Of Carbon Nanotube/Polyvinyl Alcohol Composite Fibers By Coarse-Grained Molecular Dynamics Simulations
Xia
Liu1; Qingsheng
Yang2;
1BEIJING UNIVERSITY OF TECHNOLOGY, Beijing, China; 2, Beijing, China;
Type of Paper: Regular
Id Paper: 422
Topic: 1Abstract:
Continuous carbon nanotube (CNT) fibers are made of numerous well aligned meso-scale bundles, where micro-scale CNTs are closely packed together. Hence, the mechanical properties of the CNT fibers, including tensile strength, Young¡¯s modulus and flexibility, greatly benefit from the hierarchical structure of CNTs. To better understand how the CNT fibers gain their mechanical performance, a comprehensive investigation of the mechanical behavior and microstructural evolution of the CNT fibers is conducted using coarse-grained molecular dynamics simulations. Then, simulations of monotonic and cyclic tensile tests are also conducted to study plastic deformation behavior of the CNT fiber. Besides, it is found that the CNT fibers can be further enhanced through polymer infiltration during the spinning process. Accordingly, to reveal the enhancing mechanism from the microscopic aspect, the self-densified microstructure and enhanced properties of the CNT/polymer composite fibers are also analyzed by performing coarse-grained molecular dynamics simulations. Moreover, the dependence of the mechanical behavior on the microstructure of the composite fiber under different strain rates is revealed. Further, the roles of chain size and density of the polymers on the reinforcement effect are explored as well.
Keywords:
Composite; Deformation; Mechanics; Multiscale; Plasticity;
References:
[1] X. Zhang, Q. Li, Y. Tu, Y. Li, J.Y. Coulter, L. Zheng, Y. Zhao, Q. Jia, D.E. Peterson and Y. Zhu, Strong carbon-nanotube
fibers spun from long carbon-nanotube arrays, Small, 3(2007), 244-248
[2] A. Lekawa-Raus, L. Kurzepa, X. Peng and K. Koziol, Towards the development of carbon nanotube based wires, Carbon,
68(2014), 597-609
[3] M.H. Miao, Yarn spun from carbon nanotube forests: production, structure, properties and applications, Particuology,
11(2013), 378-393
[4] M.F.L. De Volder, S.H. Tawfick, R.H. Baughman and A.J. Hart, Carbon nanotubes: present and future commercial
applications, Science, 339(2013), 535-539
[5] K. Liu, Y.H. Sun, R.F. Zhou, H.Y. Zhu, J.P. Wang, L. Liu, S.S. Fan and K.L. Jiang, Carbon nanotube yarns with high tensile
strength made by a twisting and shrinking method, Nanotechnology, 21(2010), 45708
[6] V. Thiagarajan, X. Wang, P.D. Bradford, Y.T. Zhu and F.G. Yuan, Stabilizing carbon nanotube yarns using chemical vapor
infiltration, Composites Science and Technology, 90(2014), 82-87
[7] S.G. Miller, T.S. Williams, J.S. Baker, F. Solá, M. Lebron-Colon, L.S. McCorkle, N.G. Wilmoth, J. Gaier, M. Chen and M.A.
Meador, Increased tensile strength of carbon nanotube yarns and sheets through chemical modification and electron beam
irradiation, Acs Applied Materials & Interfaces, 6(2014), 6120-6126
[8] S. Li, X.H. Zhang, J.N. Zhao, F.C. Meng, G. Xu, Z.Z. Yong, J.J. Jia, Z.G. Zhang and Q.W. Li, Enhancement of carbon
nanotube fibres using different solvents and polymers, Composites Science and Technology, 72(2012), 1402-1407
[9] C. Fang, J.N. Zhao, J.J. Jia, Z.G. Zhang and X.H. Zhang, Enhanced carbon nanotube fibers by polyimide, Applied Physics
Letters, 97(2010), 181906
[10] K. Liu, Y.H. Sun, X.Y. Lin, R.F. Zhou, J.P. Wang, S.S. Fan and K.L. Jiang, Scratch-resistant, highly conductive, and highstrength
carbon nanotube-based composite yarns, Acs Nano, 4(2010), 5827-5834
[11] Y. Jung, T. Kim and C.R. Park, Effect of polymer infiltration on structure and properties of carbon nanotube yarns, Carbon,
88(2015), 60-69
[12] J.J. Jia, J.N. Zhao, G. Xu, J.T. Di, Z.Z. Yong, Y.Y. Tao, C. Fang, Z.G. Zhang, X.H. Zhang, L.X. Zheng and Q.W. Li, A
comparison of the mechanical properties of fibers spun from different carbon nanotubes, Carbon, 49(2011), 1333-1339
[13] R.J. Mora, J.J. Vilatela and A.H. Windle, Properties of composites of carbon nanotube fibres, Composites Science and
Technology, 69(2009), 1558-1563
[14] S. Plimpton, Fast Parallel Algorithms for Short-Range Molecular Dynamics, Journal of Composite Physics, 117(1995), 1-19Cite this article as:
Liu X and Yang Q. Study On Mechanical Behaviors Of Carbon Nanotube/Polyvinyl Alcohol Composite Fibers By Coarse-Grained Molecular Dynamics Simulations. In: Kongoli F, Aifantis E, Wang H, Zhu T, editors. Sustainable Industrial Processing Summit SIPS 2016 Volume 7: Yang Intl. Symp. / Multiscale Material Mechanics. Volume 7. Montreal(Canada): FLOGEN Star Outreach. 2016. p. 155-160.