Abstract

A finite element model is developed to study the mechanical behaviour of nano-structured materials. The model serves as a link between computational chemistry and solid mechanics by substituting discrete molecular structures with an equivalent-continuum model. As an important example with direct application to the development and characterisation of single-walled carbon nanotubes, the model has been applied to determine the effective stiffness of a graphene sheet. Two different load cases have been studied showing the capabilities of the developed model in predicting the mechanical properties of graphene sheet under varying loading conditions.

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