Continuum kinetic theories provide an important tool for the analysis and simulation of particle suspensions. When those particles are anisotropic, the addition of a particle orientation vector to the kinetic description yields a $2d-1$ dimensional theory which becomes intractable to simulate, especially in three dimensions or near states where the particles are highly aligned. Coarse-grained theories that track only moments of the particle distribution functions provide a more efficient simulation framework, but require closure assumptions. For the particular case where the particles are apolar, the Bingham closure has been found to agree well with the underlying kinetic theory; yet the closure is non-trivial to compute, requiring the solution of an often nearly-singular nonlinear equation at every spatial discretization point at every timestep. In this paper, we present a robust, accurate, and efficient numerical scheme for evaluating the Bingham closure, with a controllable error/efficiency tradeoff. To demonstrate the utility of the method, we carry out high-resolution simulations of a coarse-grained continuum model for a suspension of active particles in parameter regimes inaccessible to kinetic theories. Analysis of these simulations reveals that inaccurately computing the closure can act to effectively limit spatial resolution in the coarse-grained fields. Pushing these simulations to the high spatial resolutions enabled by our method reveals a coupling between vorticity and topological defects in the suspension director field, as well as signatures of energy transfer between scales in this active fluid model.
翻译:连续介质动力学理论为粒子悬浮液的分析和模拟提供了一种重要的工具。当这些粒子具有各向异性时,将一个粒子定向向量添加到动力学描述中会产生一个 $2d-1$ 维的理论,在三维或粒子高度对齐的状态下尤其难以模拟。粗粒化理论只跟踪粒子分布函数的矩,提供了更有效的仿真框架,但需要闭合假设。对于粒子无极性的特定情况,已发现Bingham闭合对基础动力学理论的预测结果良好;然而,该闭合难以计算,需要在每个时空离散点上求解一个通常附近奇异的非线性方程。在本文中,我们提出了一种强大、精确、高效的计算Bingham闭合的数值方案,具有可控的误差/效率权衡。为了展示该方法的用途,我们开展了一个悬浮粒子连续介质模型的高分辨率模拟,在动力学理论难以预测的参数区域内。这些模拟的分析揭示了在粗粒化场中不精确计算闭合可能会有效限制空间分辨率。将这些模拟推到我们方法所能支持的高空间分辨率,揭示了在这个主动流体模型中涡度和拓扑缺陷之间的耦合,以及尺度间的能量传递的特征。