A numerical model for the prediction of the thermomechanical behavior of graphene-based nanomaterials is developed. The nanomaterials are modelled according to their atomistic structure. The harmonic approximation is utilized for describing the interaction potential energies and their expressions as functions of temperature approached using assumptions based on molecular theory. The force field is simulated via suitable straight and torsional spring mechanical equivalents. Springs express the interatomic interactions and interconnect nodes placed on the atomic positions. By using appropriate boundary conditions, the graphene-based nanomaterials are properly loaded and their thermoelastic response is numerically predicted using finite element procedures. A complete parametric study with respect to the geometric characteristics of the nanomaterials is performed, and the temperature dependency of elastic Young’s modulus is finally predicted. Comparisons with available published works found in the literature demonstrate the accuracy of the proposed method.
Keywords: Graphene; nanomaterials; coupled thermomechanics; molecular mechanics; finite element modelling