Mesoscale modeling of electrical percolation in fiber-filled systems

J Chem Phys. 2005 Oct 1;123(13):134702. doi: 10.1063/1.2031147.

Abstract

The research described in this paper primarily involves mesoscale simulations: dissipative particle dynamics (DPD) of packed assemblies of oriented fibers suspended in a viscous medium. Computer simulations have been performed in order to explore how the aspect ratio and degree of fiber alignment affect the critical volume fraction (percolation threshold) required to achieve electrical conductivity. The fiber network impedance was assessed using Monte Carlo simulations after establishing the structural arrangement with DPD. The predictions are compared with the predictions of classical percolation theory and found to be in close agreement. The approach is thus validated and can be extended to systems that cannot be tackled analytically; in particular, the work is motivated by long-standing interest in materials which display a complex percolation behavior.