Nanoindentation analysis of 3D-pillared carbon nanostructures used for hydrogen storage

• We study the mechanical properties of a 3D pillared graphene nanostructure using MD.
• The adsorption rate of the nanostructures decreases after nanoindentation.
• An approximate 20% decrease in the rate for the nanostructure with (7,4) CNT.

Molecular dynamics simulations are performed to study the mechanical behavior of hydrogen adsorption by a three-dimensional pillared nanostructure comprising graphene sheets and carbon nanotubes (CNTs). The hardness and reduced modulus of the nanostructures containing (5,5), (7,4), (9,0), and (10,10) CNTs are investigated using a nanoindentation test. Results indicate that the effects of different types of CNTs on the hardness, reduced modulus, and dissipation energy of the nanostructure are significant. In addition, the adsorption rate of the nanostructures is compared before and after nanoindentation. In the case of (7,4) CNT, the simulation showed an approximate 20% decrease in the adsorption rate of the nanostructure after nanoindentation.