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Molecular simulation of the interfacial properties of an epoxy composite reinforced using a carbon nanotube/carbon fiber hybrid

  • Fu Hua Zhang*
  • , Xiao Dong He
  • , Li Hua Dong
  • , Yan Sheng Yin
  • *Corresponding author for this work
  • Shanghai Maritime University

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

Abstract

Molecular simulations of the interfacial properties of (1) a composite with an epoxy(EP) matrix and a carbon nanotube(CNT)/carbon fiber(CF) multi-scale reinforcement and (2) a traditional CF/EP composite were performed employing Materials Studio 4.0 software. Results indicate that the interfacial atom concentration of material 1 is higher that that of material 2 by interfacial molecular structure analysis, and there are many benzene rings in both material 1 and material 2 which are parallel to the crystal layers of CF. The contact layer thickness of material 1 and material 2 is 0.25 and 0.10 nm, respectively. The concentration distribution calculation of EP molecules in the interface shows that the most concentrated part of EP in material 2 appears in the carry-forward area of the contact layer, while it is more close to the contact layer in material 1.

Original languageEnglish
Title of host publicationMulti-Functional Materials and Structures II
Pages1289-1292
Number of pages4
DOIs
StatePublished - 2009
Event2nd International Conference on Multi-Functional Materials and Structures, MFMS-2009 - Qingdao, China
Duration: 9 Oct 200912 Oct 2009

Publication series

NameAdvanced Materials Research
Volume79-82
ISSN (Print)1022-6680

Conference

Conference2nd International Conference on Multi-Functional Materials and Structures, MFMS-2009
Country/TerritoryChina
CityQingdao
Period9/10/0912/10/09

Keywords

  • Carbon fiber
  • Interface
  • Molecular simulation
  • Polymer-matrix composites

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