New approach for modeling randomly distributed CNT reinforced polymer nanocomposite with van der Waals interactions


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ÇALIŞKAN U., Gulsen H., APALAK M. K.

International Conference on Advanced Topics in Mechanics of Materials, Structures and Construction, AToMech1 2023, Al-Khobar, Suudi Arabistan, 12 - 14 Mart 2023, cilt.31, ss.55-65 identifier

  • Yayın Türü: Bildiri / Tam Metin Bildiri
  • Cilt numarası: 31
  • Doi Numarası: 10.21741/9781644902592-7
  • Basıldığı Şehir: Al-Khobar
  • Basıldığı Ülke: Suudi Arabistan
  • Sayfa Sayıları: ss.55-65
  • Anahtar Kelimeler: Carbon Nanotube, Multi-Scale Model, Nanocomposite, Randomly Distribution, van der Waals Interactions
  • Erciyes Üniversitesi Adresli: Evet

Özet

In this paper, using molecular and micromechanics methods, a new approach for the prediction of the stiffness of randomly distributed CNT/polymer nanocomposites with the van der walls interactions is presented. A multi-scale modeling technique was designed for CNT nanoparticles randomly embedded in the polymer using AMBER force field. This multi-scale model constitutes a representative volume element. The representative volume element consists of polymer, CNT nanoparticle, CNT-polymer interfacial region and van der waals bonds. A programming code was developed that randomly distributes nanoparticles according to the desired volume fraction. Python scripting language was used for the modeling technique performed in a finite element environment. By modeling the interfacial regions around randomly distributed CNTs, van der Waals bonds are modeled stochastically. In this study, the subject of interest is the number of CNTs positioned in the RVE according to the volume ratio. These numbers were determined at the level allowed by finite element equations and computational solvers and their effects were investigated by calculated stiffness behavior.