Challenges of the modeling methods for investigating the interaction between the CNT and the surrounding polymer

Roham Rafiee, Timon Rabczuk, Reza Pourazizi, Junhua Zhao, Yancheng Zhang

Research output: Contribution to journalReview article

29 Citations (Scopus)


The interaction between the carbon nanotubes (CNT) and the polymer is a key factor for determining the mechanical, thermal, and electrical properties of the CNT/polymer nanocomposite. However, it is difficult to measure experimentally the interfacial bonding properties between the CNT and the surrounding polymer. Therefore, computational modeling is used to predict the interaction properties. Different scale models, from atomistic to continuum, are critically reviewed addressing the advantages, the disadvantages, and the future challenges. Various methods of improvement for measuring the interaction properties are described. Finally, it is concluded that the semicontinuum modeling may be the best candidate for modeling the interaction between the CNT and the polymer.

Original languageEnglish
Article number183026
JournalAdvances in Materials Science and Engineering
Publication statusPublished - 2013 Aug 5


ASJC Scopus subject areas

  • Materials Science(all)
  • Engineering(all)

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