活动布朗硬盘中的再入流渗流

IF 2.9 3区 化学 Q3 CHEMISTRY, PHYSICAL Soft Matter Pub Date : 2024-09-05 DOI:10.1039/D4SM00975D
David Evans, José Martín-Roca, Nathan J. Harmer, Chantal Valeriani and Mark A. Miller
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引用次数: 0

摘要

通过对自推进布朗斥力粒子的动态模拟,研究了二维活性物质原型模型中的非平衡聚类和渗流。在运动诱导相分离(MIPS)开始之前,我们主要研究中等活动水平以下的单相区域。微弱的活动会促进簇的形成并降低渗流阈值。然而,使系统进一步脱离平衡状态会在一定程度上逆转这种效应,导致形成跨越系统的集群的临界密度达到最小值,并在 MIPS 发生前的系统中引入再中心渗滤作为活动的函数。这种非单调行为源于活动诱导的有效吸引(最终导致 MIPS)和活动驱动的簇破裂之间的竞争。利用一种经过调整的迭代玻尔兹曼反演方法,我们推导出有效势能,将弱活动情况映射到具有保守吸引力的被动(平衡)模型上,并通过蒙特卡罗模拟对其进行表征。虽然活跃和被动系统的径向分布函数几乎完全相同,但我们发现高阶结构相关性存在决定性差异,而渗流阈值对此高度敏感。对于足够强的活动,没有任何被动成对电位能重现主动系统的径向分布函数。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

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Re-entrant percolation in active Brownian hard disks†

Non-equilibrium clustering and percolation are investigated in an archetypal model of two-dimensional active matter using dynamic simulations of self-propelled Brownian repulsive particles. We concentrate on the single-phase region up to moderate levels of activity, before motility-induced phase separation (MIPS) sets in. Weak activity promotes cluster formation and lowers the percolation threshold. However, driving the system further out of equilibrium partly reverses this effect, resulting in a minimum in the critical density for the formation of system-spanning clusters and introducing re-entrant percolation as a function of activity in the pre-MIPS regime. This non-monotonic behaviour arises from competition between activity-induced effective attraction (which eventually leads to MIPS) and activity-driven cluster breakup. Using an adapted iterative Boltzmann inversion method, we derive effective potentials to map weakly active cases onto a passive (equilibrium) model with conservative attraction, which can be characterised by Monte Carlo simulations. While the active and passive systems have practically identical radial distribution functions, we find decisive differences in higher-order structural correlations, to which the percolation threshold is highly sensitive. For sufficiently strong activity, no passive pairwise potential can reproduce the radial distribution function of the active system.

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来源期刊
Soft Matter
Soft Matter 工程技术-材料科学:综合
CiteScore
6.00
自引率
5.90%
发文量
891
审稿时长
1.9 months
期刊介绍: Where physics meets chemistry meets biology for fundamental soft matter research.
期刊最新文献
Back cover Chemo-mechanical model of cell polarization initiated by structural polarity. Controlling wall-particle interactions with activity. Viologen-based supramolecular crystal gels: gelation kinetics and sensitivity to temperature. Back cover
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