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In this computational study, the effect of the shape and size of graphene oxide (GO) and SiO 2  nanoparticles on the shear thickening Behaviour of the fluids was reported with the molecular dynamics (MD) approach. For this purpose, the viscosity of fluids with C, Si, O, and H atomic arrangements was determined by Tersoff and Lenard-Jones (LJ) interatomic force fields. Atomic stability of the simulated structures was detected after 1.000.000 time-steps, demonstrating the validity of the PEG-400-based STF. Additionally, MD simulation results indicated that addition of zigzag GO and cubic SiO 2  nanoparticles to the pristine fluid would maximise the viscosity of this atomic structure. Numerically, by adding these nanostructures, the viscosity of the simulated fluid was converged to 88 Pa. s and 94 Pa. s, respectively. The jamming viscosity (discontinuous shear-thickening) changes occurred in 70 and 80 s −1  shear rates by adding GO and SiO 2  nanoparticles to the pristine fluid.

molecular simulation

Rheological study of the effects of size/shape of graphene oxide and SiO 2  nanoparticles on shear thickening behaviour of polyethylene glycol 400-based fluid: molecular dynamics simulation