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arXiv 2003.10929cond-mat.soft
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球形纳米颗粒分散体中的剪切变稀和增稠

Shear thinning and thickening in spherical nanoparticle dispersions

Ekin Küçüksönmez, James Servantie

摘要:

我们提出了一个分子动力学研究刚性球形纳米粒子在简单流体中的流动。我们评估作为剪切速率和纳米颗粒体积分数的函数的分散体的粘度。我们观察到在低体积分数下的剪切变稀行为,随着剪切速率的增加,剪切力克服了布朗力,导致纳米颗粒之间的碰撞更频繁,更激烈。这反过来又导致更多的耗散。我们表明,为了在剪切稀化制度的纳米粒子有秩序自己成层纵向的流动,以尽量减少碰撞。随着纳米颗粒体积分数的增加,形成有序层的空间更小,因此随着剪切速率的增加,纳米颗粒碰撞更多,这又导致剪切增稠。最有趣的是,我们表明,在中间体积分数的系统表现出亚稳态,有序和无序状态沿同一轨迹的继承。我们的研究结果表明,在一个简单的流体中的纳米粒子的水簇合现象是不存在的,相反,有序-无序的转变是从剪切变稀到剪切增稠的过渡的主要机制。

英文摘要:

We present a molecular dynamics study of the flow of rigid spherical nanoparticles in a simple fluid. We evaluate the viscosity of the dispersion as a function of shear rate and nanoparticle volume fraction. We observe shear thinning behavior at low volume fractions, as the shear rate increases, the shear forces overcome the brownian forces, resulting in more frequent and more violent collisions between the nanoparticles. This in turn results in more dissipation. We show that in order to be in the shear thinning regime the nanoparticle have to order themselves into layers longitudinal to the flow to minimize the collisions. As the nanoparticle volume fraction increases there is less room to form the ordered layers, consequently as the shear rate increases the nanoparticles collide more which results in turn in shear thickening. Most interestingly, we show that at intermediate volume fractions the system exhibits metastability, with successions of ordered and disordered states along the same trajectory. Our results suggest that for nanoparticles in a simple fluid the hydro-clustering phenomenon is not present, instead the order-disorder transition is the leading mechanism for the transition from shear thinning to shear thickening.

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