Sandoval Mario
Department of Physics, Complex Systems, Universidad Autonoma Metropolitana-Iztapalapa, Mexico City 09340, Mexico.
Soft Matter. 2023 Aug 23;19(33):6287-6297. doi: 10.1039/d2sm01610a.
In this work, the free expansion of an inertial active gas in three dimensions made of spherical non-interactive active Brownian particles with both translational and rotational inertia (IABPs) is studied. After elucidating the active particles' orientational correlation in three dimensions by employing a Fokker-Planck formalism, the diffusion, mean-square speed, persistence length, reorientation time, Swim and Reynolds pressures and total pressure of this system, are obtained theoretically and corroborated by performing Langevin dynamics simulations. Afterwards, a numerical study on particles' distribution and the mechanical pressure exerted by the active gas enclosed in a cubic box and its dependence on inertia is also carried out. This experiment highlights two important observations: first, as inertia in the system grows while fixing activity, a more uniform particle distribution within the box is achieved. In other words, the classical accumulation of active particles at the walls is seen to be suppressed by inertia. Second, an active gas with translational and rotational inertiae and made of spherical particles still has a state equation which is offered here. This is supported by the fact that both the mechanical pressure definition and the bulk pressure definition as the trace of the swim and Reynolds stress tensors, coincide in the thermodynamic limit.
在这项工作中,研究了由具有平动和转动惯性的球形非相互作用活性布朗粒子(IABPs)构成的三维惯性活性气体的自由膨胀。通过采用福克 - 普朗克形式主义阐明活性粒子在三维空间中的取向相关性后,从理论上获得了该系统的扩散、均方速度、持久长度、重取向时间、游动压力、雷诺压力和总压力,并通过进行朗之万动力学模拟进行了验证。之后,还对立方盒中活性气体中粒子的分布以及活性气体施加的机械压力及其对惯性的依赖性进行了数值研究。该实验突出了两个重要观察结果:第一,在固定活性的同时,随着系统中惯性的增加,盒内粒子分布更加均匀。换句话说,活性粒子在壁处的经典积累被惯性抑制。第二,由球形粒子构成的具有平动和转动惯性的活性气体仍然具有这里给出的状态方程。这得到了以下事实的支持:在热力学极限下,机械压力定义以及作为游动和雷诺应力张量迹的体压力定义是一致的。