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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.

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