分子动力学
流变学
材料科学
膨胀的
粘度
纳米颗粒
石墨烯
聚乙二醇
剪切速率
化学工程
剪切(地质)
之字形的
热力学
复合材料
纳米技术
化学物理
化学
计算化学
物理
工程类
数学
几何学
作者
M Zojaji,Amir Hydarinasab,Seyed Hassan Hashemabadi,Milad Mehranpour
标识
DOI:10.1080/08927022.2021.1992405
摘要
In this computational study, the effect of the shape and size of graphene oxide (GO) and SiO2 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 SiO2 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 SiO2 nanoparticles to the pristine fluid.
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