Dermertination of elastic properties of nanosheets and nanotubes by atomistic finite element method

Abstract

An atomistic finite element method (AFEM) was applied to determine elastic properties of graphene and boron nitride (BN) monolayer sheets. Using the same force field parameters, deviations between results obtained by AFEM and those by molecular d3mamics simulations appear within 5 % for Young’s and shear moduli. By comparing simulation results with available data in the literature for these 2 sheets, it may be concluded that the proposed AFEM is a simple and fast technique to analyze acctưately elastic properties of nanostructured materials,