Modeling the interfacial behavior of carbon nanotube fiber/polyethylene composites by molecular dynamics approach

Yu-Bin Lu; Qing-Sheng Yang; Xiao-Qiao He; Kim-Meow Liew

doi:10.1016/j.commatsci.2015.12.029

Author(s)

Yu-Bin Lu
Qing-Sheng Yang
Xiao-Qiao He
Kim-Meow Liew

Detail(s)

Original language	English
Pages (from-to)	189-198
Journal / Publication	Computational Materials Science
Volume	114
Publication status	Published - 1 Mar 2016

Link(s)

DOI	DOI https://doi.org/10.1016/j.commatsci.2015.12.029 Final Published version
	Check@CityULib
Link to Scopus	https://www.scopus.com/record/display.uri?eid=2-s2.0-84953911205&origin=recordpage
Permanent Link	https://scholars.cityu.edu.hk/en/publications/publication(209a62c4-776d-4ca8-bfb2-ea889cf5c660).html

Abstract

Carbon nanotube fiber (CNTF) is an assembly of carbon nanotube (CNT) array with or without twisting. The interfacial behavior of carbon nanotube fiber/polyethylene (CNTF/PE) composites is studied by using molecular dynamics approach. The influence of the geometrical parameters of CNTF, i.e. fiber length and chiral number, on the interfacial interaction of the composites is investigated. Moreover, the interfacial interaction between CNTs is studied by pulling out CNT from a CNTF. The influence of twisting of CNTF on interfacial interaction between CNTs within a CNTF as well as between CNTF and PE matrix is analyzed. The uniform interfacial shear force and the sliding failure form of interface are exhibited in details. It is shown that interfacial energy is influenced by the length and chiral number of CNTFs. While the interfacial shear force is independent on the length of CNTFs, but it increases with their chiral number. Twisting can strengthen the interface bonding between peripheral CNTs within CNTF but weaken that between the central CNT and its surrounding CNTs as well as between CNTF and its surrounding PE matrix.

Research Area(s)

Carbon nanotube fiber, Fracture mechanism, Interfacial behavior, Molecular dynamics simulation, Nano-composite

Citation Format(s)

[ RIS ] [ BibTeX ]

Modeling the interfacial behavior of carbon nanotube fiber/polyethylene composites by molecular dynamics approach. / Lu, Yu-Bin; Yang, Qing-Sheng; He, Xiao-Qiao et al.
In: Computational Materials Science, Vol. 114, 01.03.2016, p. 189-198.

Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

Lu, Y-B, Yang, Q-S, He, X-Q & Liew, K-M 2016, 'Modeling the interfacial behavior of carbon nanotube fiber/polyethylene composites by molecular dynamics approach', Computational Materials Science, vol. 114, pp. 189-198. https://doi.org/10.1016/j.commatsci.2015.12.029

Lu, Y.-B., Yang, Q.-S., He, X.-Q., & Liew, K.-M. (2016). Modeling the interfacial behavior of carbon nanotube fiber/polyethylene composites by molecular dynamics approach. Computational Materials Science, 114, 189-198. https://doi.org/10.1016/j.commatsci.2015.12.029

Lu YB, Yang QS, He XQ , Liew KM. Modeling the interfacial behavior of carbon nanotube fiber/polyethylene composites by molecular dynamics approach. Computational Materials Science. 2016 Mar 1;114:189-198. doi: 10.1016/j.commatsci.2015.12.029

Lu, Yu-Bin ; Yang, Qing-Sheng ; He, Xiao-Qiao et al. / Modeling the interfacial behavior of carbon nanotube fiber/polyethylene composites by molecular dynamics approach. In: Computational Materials Science. 2016 ; Vol. 114. pp. 189-198.