Abstract

A Monte Carlo (MC) model for the calculation of the percolation threshold in the composite filled with ellipsoids of revolution is developed to simulate the real experimental situation of percolative composites in which functional additives do not penetrate each other. The important advantage is that the MC model can be easily applied to multi-components composites, e.g., containing graphene nanoplatelets, carbon black and carbon nanotubes, by means of utilising the ellipsoids of different aspect ratios with the filling fraction corresponding to concentrations of each type of inclusion. The developed model could be used in a pre-experimental step for producing effective close-to percolation and percolated nanocomposites for various electromagnetic applications to avoid time and resources consuming the “sort-out” experimental phase of composition optimization, and could be utilized as the first step of the bottom-up material approach to touch the macroscopic platform for antennas/circuit realization.

Highlights

  • The modeling of nanoantennas and nanocircuits depending on the material concept, i.e., a nanosized object as a working element of nano-device or a composite made of nano-inclusions as a macroscopic platform for antennas/circuit realization, could be provided in “top-down” and “bottom-up” approaches

  • We present a Monte Carlo model for the calculation of the percolation threshold in the irregular system filled with ellipsoids of revolution

  • We demonstrate that the percolation concentration is independent of the unit cell size

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Summary

Introduction

The modeling of nanoantennas and nanocircuits depending on the material concept, i.e., a nanosized object as a working element of nano-device or a composite made of nano-inclusions as a macroscopic platform for antennas/circuit realization, could be provided in “top-down” and “bottom-up” approaches. The first one accesses the device realization by computation of microscopic electromagnetic response of nanoparticle (e.g., carbon nanotube) [1,2,3], whereas the second one is expected to describe the collective effects of nanoparticles electromagnetics in the final composition caused by individual nanoparticles antennas’ properties through different homogenization and/or averaging techniques [4,5,6,7]. This communication is one of the second sort. The dependence of the percolation threshold on the ellipsoids’ distribution, unit cell size and the aspect ratio for the case of oblate ellipsoids will be discussed

Positioning the Ellipsoid in 3D Space
Distance between Ellipsoids
Composite Generation Procedure
Percolation Computation
Total Algorithm
Two-Phase system
Conclusions
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