A multiscale modeling framework for predicting strain-dependent electrical conductivity of carbon nanotube-incorporated nanocomposites considering the electron tunneling effect

Abstract

The present work proposes a multiscale modeling framework for predicting the strain-dependent electrical conductivity of carbon nanotube (CNT)-incorporated nanocomposites considering the electron tunneling effect. A micromechanical model taking into account the waviness of the CNTs is utilized and molecular dynamics simulations estimating changes in distance between CNTs in the polymer matrix are conducted in an attempt to incorporate the electron tunneling effect. A series of numerical parametric studies are carried out to examine the influence of model parameters (e.g., CNT length, number of CNT segments, and intrinsic interfacial resistivity) on the strain-dependent electrical conductivity of the nanocomposites. In addition, CNT/polydimethylsiloxane samples are fabricated and their strain-dependent electrical conductivity is experimentally evaluated. Finally, to verify the predictive capability of the proposed modeling framework, the present predictions are compared with experimental results.Highlights A multiscale modeling framework of CNT-incorporated nanocomposites is proposed. A micromechanics model and molecular dynamics simulations are used. The study includes a numerical parametric investigation. The present predictions are compared with those obtained experimentally.,The proposed multiscale modeling framework for predicting the strain-dependent electrical conductivity of a two-phase nanocomposite consisting of the polymer matrix (matrix phase) and prolate spheroidal CNTs (inclusion phase). image,