Graphene reinforced natural rubber composites are developed to study the improvement in mechanical and tribological properties of natural rubber by the introduction of graphene as reinforcement. Constant strain minimization method has been applied to calculate Young’s and shear modulus of developed structures. A three-layer model containing Fe (Iron) atoms at the top and bottom and polymer matrices in the middle has been constructed to calculate the tribological properties. A shear loading is applied to the top iron nanorod by sliding it to the surface of the polymer matrices for 600 ps with a velocity of 0.01 nm/ps. The results show the increase of 185% in Young’s modulus, 32% in shear modulus and 48% in hardness by reinforcing natural rubber with single-layer graphene oxide sheet, respectively. Also, reduction of 28% and 36% in the friction coefficient and abrasion rate obtained by the introduction of graphene oxide sheet in natural rubber matrix. Also, interaction energy between graphene and natural rubber, the angle, bond and kinetic energy of the polymer and composites has been calculated and discussed.
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