Coupling Mechanical and Electrical Behavior in the Multi-scale Simulation of Polymer-based CNT Nanocomposites

A numeric model has been proposed to investigate the mechanical and electrical properties of a polymeric/carbon nanotube (CNT) composite material subjected to a deformation force. The reinforcing phase affects the behavior of the polymeric matrix and depends on the nanofiber aspect ratio and preferential orientation. The simulations show that the mechanical behavior of a computer generated material (CGM) depends on fiber length and initial orientation in the polymeric matrix. It is also shown how the conductivity of the polymer/CNT composite can be calculated for each time step of applied stress, effectively providing the ability to simulate and predict strain-dependent electrical behavior of CNT nanocomposites.

This work is funded by FEDER funds through the "Programa Operacional Factores de Competitividade -COMPETE“ and by national funds by FCT- Fundação para a Ciência e a Tecnologia, Lisbon, project references PEst-C/CTM/LA0025/2011 (Strategic Project - LA 25 - 2011-2012), PTDC-EME-PME-108859-2008, PTDC/CTM/69316/2006, PTDC/CTM-NAN/112574/2009 and NANO/NMed-SD/0156/2007, and grants SFRH / BD / 60623 / 2009 (J. S.). The authors also thank support from the COST Action MP1003, ‘European Scientific Network for Artificial Muscles’ and the COST action MP0902 “Composites of Inorganic Nanotubes and Polymers (COINAPO)”.