Molecular Dynamics Simulation of Carbon Nanotube Reinforced Rubber Composites

Abstract

The mechanical characteristics of nitrile butadiene rubber (NBR) and carbon nanotube (CNT) nanocomposites were investigated using molecular dynamics (MD) simulations in this study. The crystal with CNT is created with a volume fraction of about 2.47% and 4.86%. The constant strain method was used to calculate the young's modulus, shear modulus, and bulk modulus of the nanocomposite. The integration of CNT inside the rubber composite matrices increased the mechanical properties. The simulation results show that the young’s, bulk, and shear modulus of NBR 2-CNT were enhanced by about 47.10%, 28.39 %, and 17.86 % respectively when compared to the pure NBR.

Electro-Mechanical Response of Stretchable PDMS Composites With a Hybrid Filler System

“…Because the elastic modulus of PEDOT:PSS was reported as ~2.0 GPa [37], the increased modulus values of the composites were confirmed to be due to the addition of PEDOT:PSS. The modulus of the composites was further increased by the addition of CNTs, which showed a 2.0 MPa ± 0.12 [38]. The elastic modulus of CNTs is reported to be ~900 GPa [39]; thus, even the small addition of CNTs (~2 wt%) resulted in a dramatic increase in the modulus of the composites.…”