Elastic properties of polymer composites reinforced with C60 fullerene and carbon onion: Molecular dynamics simulation

In this paper, the elastic properties of polymer nanocomposites reinforced with C-60 fullerene and C-60@C(240)( )carbon onion are estimated by using a molecular dynamic (MD) simulation. The nanocomposites are constructed by embedding the buckminsterfullerene and the carbon onion into an amorphous polymer matrix with different weight fractions. The poly methyl methacrylate (PMMA) is chosen as the polymer matrix. The results demonstrate that Young's modulus of the composite increases with increasing the weight fractions of the nanoscopic additives, which is consistent with experimental observations. The nanocomposite containing 4 wt% of C-60 exhibits Young's modulus of 3.774 GPa that is 24% higher than pure PMMA. In addition, the validity of the present simulation is verified by the comparison with the experimental results.