Effect of uncertainty parameters on graphene sheets Young’s modulus prediction

Abstract

Software based on molecular structural mechanics approach (MSMA) and using finite element method (FEM) has been developed to predict the Young’s modulus of graphene sheets. Obtained results have been compared to results available in the literature and good agreement has been shown when the same values of uncertainty parameters are used. A sensibility of the models to their uncertainty parameters has been investigated using a stochastic finite element method (SFEM). The different values of the used uncertainty parameters, such as molecular mechanics force field constants kr and kθ, thickness (t) of a graphene sheet and length (LB) of a carboncarbon bonds, have been collected from the literature. Strong sensibilities of 91% to the thickness and of 21% to the stretching force (kr) have been shown. The results justify the great difference between Young’s modulus predicted values of the graphene sheets and their large disagreement with experimental results.