Multiscale Modeling of Polymer-Nanotube Nanocomposites

초록

Ever since the successful formation of carbon nanotube (CNT)-based polymer composites was first reported, research into their synthesis, measurement and characterization, and modeling and analysis has extensively grown to become a mainstream field of advanced materials science. This chapter briefly summarizes the various multiscale computational modeling approaches for CNT-polymer nanocomposites at various length scales. We also introduce a fully and sequentially integrated inverse multiscale analysis to characterize the elastic and inelastic behavior of CNT-polymer nanocomposites by combining atomistic simulation and a continuum micromechanics model. Fundamentals of the MD simulation, average-field theory, and homogenization theory are provided along with useful mathematical formulations for the effective properties of nanocomposites that are analogous to their constitutive relation. © 2014 by Scrivener Publishing LLC. All rights reserved.

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