Bickmann Jens, Wittkowski Raphael
Institut für Theoretische Physik, Center for Soft Nanoscience, Westfälische Wilhelms-Universität Münster, D-48149 Münster, Germany.
J Phys Condens Matter. 2020 May 13;32(21):214001. doi: 10.1088/1361-648X/ab5e0e.
We present a predictive local field theory for the nonequilibrium dynamics of interacting active Brownian particles with a spherical shape in two spatial dimensions. The theory is derived by a rigorous coarse-graining starting from the Langevin equations that describe the trajectories of the individual particles. For high accuracy and generality of the theory, it includes configurational order parameters and derivatives up to infinite order. In addition, we discuss possible approximations of the theory and present reduced models that are easier to apply. We show that our theory contains popular models such as Active Model B+ as special cases and that it provides explicit expressions for the coefficients occurring in these and other, often phenomenological, models. As a further outcome, the theory yields an analytical expression for the density-dependent mean swimming speed of the particles. To demonstrate an application of the new theory, we analyze a simple reduced model of the lowest nontrivial order in derivatives, which is able to predict the onset of motility-induced phase separation of the particles. By a linear stability analysis, an analytical expression for the spinodal corresponding to motility-induced phase separation is obtained. This expression is evaluated for the case of particles interacting repulsively by a Weeks-Chandler-Andersen potential. The analytical predictions for the spinodal associated with these particles are found to be in very good agreement with the results of Brownian dynamics simulations that are based on the same Langevin equations as our theory. Furthermore, the critical point predicted by our analytical results agrees excellently with recent computational results from the literature.
我们提出了一种预测性局部场理论,用于描述二维空间中相互作用的球形活性布朗粒子的非平衡动力学。该理论是通过从描述单个粒子轨迹的朗之万方程出发进行严格的粗粒化推导得出的。为了保证理论的高精度和通用性,它包含了构型序参量以及直至无穷阶的导数。此外,我们讨论了该理论可能的近似,并给出了更易于应用的简化模型。我们表明,我们的理论包含诸如活性模型B+等流行模型作为特殊情况,并且它为这些模型以及其他通常是唯象模型中出现的系数提供了明确的表达式。作为进一步的成果,该理论给出了粒子密度依赖平均游动速度的解析表达式。为了展示新理论的应用,我们分析了一个导数最低非平凡阶的简单简化模型,该模型能够预测粒子运动诱导相分离的起始。通过线性稳定性分析,得到了与运动诱导相分离对应的亚稳极限的解析表达式。针对粒子通过威克斯 - 钱德勒 - 安德森势相互排斥作用的情况对该表达式进行了评估。发现与这些粒子相关的亚稳极限的解析预测与基于与我们理论相同的朗之万方程的布朗动力学模拟结果非常吻合。此外,我们解析结果预测的临界点与文献中最近的计算结果非常吻合。