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使用多粒子碰撞动力学研究简单剪切下偶极胶体的自组装和流变学。

Self-assembly and rheology of dipolar colloids in simple shear studied using multi-particle collision dynamics.

机构信息

ETH Zurich, Computational Physics for Engineering Materials, Institute for Building Materials, Stefano-Franscini-Platz 3, CH-8093 Zurich, Switzerland.

出版信息

Soft Matter. 2017 Sep 27;13(37):6474-6489. doi: 10.1039/c7sm00878c.

Abstract

Magnetic nanoparticles in a colloidal solution self-assemble in various aligned structures, which has a profound influence on the flow behavior. However, the precise role of the microstructure in the development of the rheological response has not been reliably quantified. We investigate the self-assembly of dipolar colloids in simple shear using hybrid molecular dynamics and multi-particle collision dynamics simulations with explicit coarse-grained hydrodynamics, conduct simulated rheometric studies and apply micromechanical models to produce master curves, showing evidence of the universality of the structural behavior governed by the competition between the bonding (dipolar) and erosive (thermal and/or hydrodynamic) stresses. The simulations display viscosity changes across several orders of magnitude in fair quantitative agreement with various literature sources, substantiating the universality of the approach, which seems to apply generally across vastly different length scales and a broad range of physical systems.

摘要

胶态溶液中的磁性纳米颗粒会自组装成各种有序结构,这对流动行为有深远的影响。然而,微观结构在流变响应发展中的精确作用尚未得到可靠地量化。我们使用混合分子动力学和多粒子碰撞动力学模拟结合显式粗粒化流体动力学研究了简单剪切下偶极胶体的自组装,进行了模拟流变学研究并应用细观力学模型生成主曲线,表明结构行为的普遍性受键合(偶极)和侵蚀(热和/或流体动力学)应力之间竞争的控制。模拟显示,在几个数量级上的粘度变化与各种文献来源具有良好的定量一致性,证实了该方法的普遍性,该方法似乎普遍适用于非常不同的长度尺度和广泛的物理系统。

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