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Rheology and structure of suspensions of spherocylinders via Brownian dynamics simulations
Journal of Rheology ( IF 3.3 ) Pub Date : 2021-03-01 , DOI: 10.1122/8.0000155
Jing-Yao Chen 1 , Zhuohan Li 2 , Izabela Szlufarska 2 , Daniel J. Klingenberg 1
Affiliation  

Brownian dynamics simulations were employed to investigate the rheological properties and structure of suspensions of rigid spherocylinders, as a model for rodlike colloids. The spherocylinders interacted only through a soft repulsive force that mimicked a hard spherocylinder interaction. The translational and rotational diffusivities of hard spherocylinder suspensions were reproduced. Liquid crystalline phases, including isotropic, nematic, and smectic and solid phases were identified using orientational and hexatic order parameters and pair distribution functions. Typical flow curves observed experimentally for rodlike colloidal suspensions were reproduced in the simulations, with two shear thinning regions that bracketed a viscosity plateau at intermediate Péclet numbers. The transient rheology and structure of suspensions that were nematic at rest exhibited a variety of behaviors that depended on the Péclet number and concentration. Systemwide domains that aligned in and kayaked about the vorticity direction, domains that rotated coherently locally, and layered domains were observed. Oscillations in the order parameter, viscosity, and the first and second normal stress differences were associated with changes in the structure.

中文翻译:

球形圆柱体悬架的流变学和结构的布朗动力学模拟

布朗动力学模拟被用来研究刚性球体悬浮液的流变性质和结构,作为棒状胶体的模型。球圆柱体仅通过模仿硬球圆柱体相互作用的软排斥力相互作用。再现了硬球囊悬浮液的平移和旋转扩散度。液晶相,包括各向同性,向列相,近晶相和固相,都使用取向和六阶参数和对分布函数进行了鉴定。在模拟中复制了通过实验观察到的棒状胶体悬浮液的典型流动曲线,其中两个剪切稀化区域在中间Péclet数处保持了一个粘度平稳期。在静止状态下向列相的悬浮液的瞬时流变学和结构表现出取决于佩克利特数和浓度的多种行为。观察到系统范围内的区域在旋涡方向上对齐并绕着旋涡方向划皮艇,局部局部连贯旋转的区域以及分层区域。顺序参数,粘度以及第一和第二法向应力差异的振荡与结构的变化有关。
更新日期:2021-03-02
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