Finite element simulation of mechanical properties of novel polymer composites reinforced with MXene nanosheets

Two-dimensional (2D) nanomaterials such as graphene, transition metal oxides, metal oxides, metal hydroxides and others are currently amongst the most intensively studied classes of materials that hold great promise for future applications in many technological areas. Graphene is by far the best known and the most studied 2D nanomaterial. Recently discovered a new family of 2D nanomaterials MXenes shows similar benefits for structural composites as graphene. An exploration of this new class of material is still in an initial stage and opportunities of MXenes as fillers for nano-engineered structural polymer composite are not fully identified and exploited. The aim of this study is to identify the suitable finite element modelling methodology in support of the mechanical properties optimization for polymer composite reinforced with two types of 2D nanoparticles: MXene and graphene. In order to carry out numerical study of mechanical properties relationship upon MXene/graphene based polymer composite microstructure, three dimensional finite element models were selected. It was chosen 2D nanoparticles be randomly distributed in polymer matrix and as a very important aspect of modelling the MXene/polymer and graphene/polymer matrix interfaces was taken into account.