基于分子动力学的磁流体抛光液剪切粘度数值模拟

Numerical Simulation of Shear Viscosity of Magnetic Fluid Polishing Liquid Based on Molecular Dynamics

为探究纳米尺度机制对磁流体抛光液剪切粘度增强的影响。基于分子动力学模拟研究,以探索铁纳米颗粒的布朗运动和铁纳米颗粒团聚的形成等纳米机制,并研究它们对纳米流体(Fe-H2O)中剪切粘度增强的影响。使用SPC/E水模型对水体系建模,并通过分子动力学结合Muller-Plathe算法计算剪切粘度。此外,该数值研究在300 k温度下0.05%、0.54%、1.5%和4.3%的不同铁体积分数下进行。结果表明,由于铁纳米颗粒之间的相互作用形成团聚,纳米流体(Fe-H2O)的剪切粘度随着铁体积分数的增大而升高。

In order to explore the influence of nanoscale mechanism on shear viscosity enhancement of mag-netic fluid polishing solution, based on the molecular dynamics simulation research, to explore the Brownian motion of iron nanoparticles and the formation of iron nanoparticles agglomeration and other nano mechanisms, and to study their effects on the shear viscosity enhancement in nanofluids (Fe-H2O). The SPC/E water model was used to model the water system, and the shear viscosity was calculated through molecular dynamics combined with Muller Plathe algorithm. In addition, the numerical study was carried out at 300 k with different iron volume fractions of 0.05%, 0.54%, 1.5% and 4.3%. The results show that the shear viscosity of nanofluids (Fe-H2O) increases with the in-crease of iron volume fraction due to the agglomeration formed by the interaction between iron nanoparticles.