Abstract
In this computational work, a new simulation tool on the graphene/polymer nanocomposites electrical response is developed based on the finite element method (FEM). This approach is built on the multi-scale multi-physics format, consisting of a unit cell and a representative volume element (RVE). The FE methodology is proven to be a reliable and flexible tool on the simulation of the electrical response without inducing the complexity of raw programming codes, while it is able to model any geometry, thus the response of any component. This characteristic is supported by its ability in preliminary stage to predict accurately the percolation threshold of experimental material structures and its sensitivity on the effect of different manufacturing methodologies. Especially, the percolation threshold of two material structures of the same constituents (PVDF/Graphene) prepared with different methods was predicted highlighting the effect of the material preparation on the filler distribution, percolation probability and percolation threshold. The assumption of the random filler distribution was proven to be efficient on modelling material structures obtained by solution methods, while the through-the –thickness normal particle distribution was more appropriate for nanocomposites constructed by film hot-pressing. Moreover, the parametrical analysis examine the effect of each parameter on the variables of the percolation law. These graphs could be used as a preliminary design tool for more effective material system manufacturing.
Highlights
Conductive polymers have been extensively studied for their potential applications in light emitting devices, batteries, electromagnetic shielding, and piezoresistive sensors
Polymer and all the features controlling its response under any excitation have serious effect on the electrical conductivity of a nanocomposite through the energy quantity of height of barrier appearing on the tunnelling resistivity
The multi-scale multi-physics finite element model was found to predict the electrical response of the selected graphene/polymer composite under DC loading, while the results are in accordance with theoretical predictions
Summary
Conductive polymers have been extensively studied for their potential applications in light emitting devices, batteries, electromagnetic shielding, and piezoresistive sensors. Comparing the available experimental data in terms of percolation threshold varied by the filler aspect ratio, it could be noted its high dependence on the nanocomposite’s manufacturing process (it affects the filler distribution and orientation as well as the formation of agglomerations), while for a given production methodology and materials constituents, the percolation threshold is not a deterministic quantity but a probabilistic one. This notice could lead to the conclusion that any percolation threshold stated is a misleading achievement if the material characteristics, manufacturing process and the probability of conductance are not clearly mentioned. The simulation approaches of the nanocomposite’s electrical response could be a useful prediction tool on the full electrical characterisation of these materials taking into account the probabilistic nature of their response, since huge statistical samples could be studied much quicker and cheaper than following an experimental procedure
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