Computational prediction of electrical and thermal properties of graphene and BaTiO₃ reinforced epoxy nanocomposites

Graphene based materials e.g., graphene oxide (GO), reduced graphene oxide (RGO) and graphene nano platelets (GNP) as well as Barium titanate (BaTiO₃) are emerging reinforcing agents which upon mixing with epoxy provides composite materials with superior mechanical, electrical and thermal properties as well as shielding against electromagnetic (EM) radiations. Inclusion of the aforementioned reinforcing agents has shown to improve the performance, however, the extent of improvement has remained uncertain. In this study, a computational modelling approach was adopted using COMSOL Multiphysics software in conjunction with Bayesian statistical analysis to investigate the effects of including various filler materials e.g. GO, RGO, GNP and BaTiO₃ in influencing the direct current (DC) conductivity (σ), dielectric constant (ε) and thermal properties on the resulting epoxy polymer matrix composites. The simulation of epoxy composites were performed for different volume percentage of the filler materials by varying the geometry of the filler material. It was observed that the content of GO, RGO, GNPs and the thickness of graphene nanoplatelets can alter the DC conductivity, dielectric constant, and thermal properties of the epoxy matrix. The lower thickness of GNPs was found to offer the larger value of DC conductivity, thermal conductivity and thermal diffusivity than rest of the graphene nanocomposites, while, the RGO showed better dielectric constant value than neat epoxy, and GO, GNP nanocomposites. Similarly, BaTiO₃ nanoparticles content and diameter were observed to alter the dielectric constant, DC conductivity and thermal properties of modified epoxy in several order magnitude than neat epoxy. In this way, the higher diameter particles of BaTiO₃ showed better DC conductivity properties, dielectric constant value, thermal conductivity and thermal diffusivity. Moreover, this research provides guidance for further computational examination on the selection of GNP and BaTiO₃ materials for the enhancement of the electrical and thermal properties of the epoxy matrix.