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中国物理学会期刊

活性布朗粒子链在温差周期通道中的定向运动

Directed transport of an active Brownian particle chain in a periodic channel with a temperature gradient

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  • 本文采用数值模拟方法研究了具有温度梯度的二维周期通道中活性布朗粒子链的定向输运行为,建立了同时考虑空间不对称周期势、剪切流、温度梯度以及粒子自驱动作用的朗之万动力学模型,系统分析了剪切流、势场结构、基础温度、温差和自驱动速度等因素对粒子链输运行为的影响。研究结果表明,在无温差条件下,仅剪切流不能诱导粒子链产生定向输运,而剪切流与空间不对称周期势的协同作用能够产生明显的定向输运,且平均速度随剪切率呈非单调变化。在存在温差时,空间非均匀热涨落改变了粒子链的输运特性,温差效应与空间不对称势及剪切流之间形成竞争关系,从而调制粒子链的输运速度,并在一定参数范围内导致输运方向发生反转。此外,基础温度主要通过调节热噪声强度影响输运效率,而粒子自驱动速度和空间不对称势共同决定粒子链的输运方向。本文进一步分析了粒子链长度及系统尺寸对输运行为的影响,结果表明本文采用参数下粒子链定向输运的主要变化规律具有较好的稳健性。本文结果有助于理解温差环境下活性粒子链的非平衡输运机制,并为微纳尺度活性物质的输运调控提供理论参考。

     

    The directed transport of active Brownian particle chains in spatially inhomogeneous thermal environments is governed by the interplay among activity, external driving, spatial asymmetry, and thermal fluctuations. In this work, we numerically investigate the transport of an active Brownian particle chain confined in a two-dimensional periodic channel subjected to a temperature gradient. An system of Langevin equations is constructed by incorporating an asymmetric periodic potential, shear flow, spatially dependent translational and rotational diffusion, elastic coupling between neighboring particles, and particle self-propulsion. The stochastic equations are interpreted in the Itô sense and numerically integrated using the Euler–Maruyama scheme. By systematically varying the shear rate, potential-asymmetry parameter, relative temperature difference, base temperature, and self-propulsion speed, we examine how these nonequilibrium mechanisms cooperate or compete to determine the transport direction and efficiency of the particle chain.
    In the absence of a temperature difference, shear flow alone cannot generate directed transport when the periodic potential is spatially symmetric. Once spatial asymmetry is introduced, however, the coupling between the asymmetric periodic potential and shear flow produces pronounced rectification, and the average transport velocity exhibits a nonmonotonic dependence on the shear rate. This behavior results from the competition between shear-induced particle motion and the directional selectivity imposed by the asymmetric potential. When a temperature gradient is introduced, the resulting spatially inhomogeneous thermal fluctuations substantially modify the transport behavior. The temperature-gradient effect competes with the asymmetric potential and shear flow, thereby suppressing or enhancing the original rectification depending on the parameter regime and, more importantly, producing transitions between positive and negative transport. The calculated parameter maps further demonstrate that the transport-reversal boundary can be continuously shifted by tuning the relative temperature difference, shear rate, and potential asymmetry, indicating that the transport direction is not controlled by a single driving mechanism but by their combined competition.
    The base temperature provides an additional means of regulating the transport by changing the overall level of thermal fluctuations. Increasing the thermal scale generally weakens the directional selectivity associated with barrier crossing, although its influence depends on the potential asymmetry and other driving parameters. Activity introduces another competing mechanism. Moderate self-propulsion can facilitate barrier crossing and enhance directed transport, whereas sufficiently strong self-propulsion can weaken the original rectification mechanism and even induce transport reversal. Thus, the transport behavior arises from a balance among shear-induced advection, spatially asymmetric barrier crossing, inhomogeneous thermal fluctuations, and persistent active motion. Calculations for different chain lengths and system sizes show that the principal transport characteristics and reversal behavior remain qualitatively robust within the parameter ranges considered.
    These results establish a physical picture in which the asymmetric periodic potential provides directional selectivity, shear flow controls the ability of the chain to explore and cross potential barriers, the temperature gradient redistributes thermal fluctuations spatially, and self-propulsion modifies both barrier-crossing dynamics and the competition among the other transport mechanisms. Their interplay enables not only continuous regulation of the transport efficiency but also controllable reversal of the transport direction. The present study therefore provides insight into the nonequilibrium transport of elastically coupled active particles in thermally inhomogeneous environments and may offer a theoretical basis for controlling collective transport in micro- and nanoscale active-matter systems.

     

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