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活性粒子系统的动态非均匀性研究。

Study of dynamic heterogeneity of an active particle system.

机构信息

Department of Chemical Physics and Hefei National Laboratory for Physical Sciences at Microscales, University of Science and Technology of China, Hefei, Anhui 230026, China.

出版信息

Phys Rev E. 2017 May;95(5-1):052608. doi: 10.1103/PhysRevE.95.052608. Epub 2017 May 24.

Abstract

We have studied spatial and temporal dynamic heterogeneity (DH) in a system of hard-sphere particles, subjected to active forces with constant amplitude and random direction determined by rotational diffusion with correlation time τ. We have used a variety of observables to characterize the DH behavior, including the deviation from standard Stokes-Einstein (SE) relation, a non-Gaussian parameter α_{2}(Δt) for the distribution of particle displacement within a certain time interval Δt, a four-point susceptibility χ_{4}(Δt,ΔL) for the correlation in dynamics between any two points in space separated by distance ΔL within some time window Δt, and a vector spatial-temporal correlation function S_{vec}(R,Δt) for vector displacements within time interval Δt of particle pairs originally separated by R. By mapping the particle motion into a continuous-time random walk with constant jump length, we can obtain the average waiting time 〈t_{x}〉∝D_{s}^{-1} and persistence time 〈t_{p}〉∝η, with D_{s} the self-diffusion coefficient and η the shear viscosity, such that the observable λ=〈t_{p}〉/〈t_{x}〉∝D_{s}η can be calculated as a function of the control parameter τ to show how it deviates from its SE value λ_{0}. Interestingly, we find λ/λ_{0} shows a nonmonotonic behavior for large volume fraction φ_{a}, wherein λ/λ_{0} undergoes a minimum at a certain intermediate value of τ, indicating that both small and large particle activity may lead to strong DH. Such a reentrance phenomenon is further demonstrated in terms of the non-Gaussian parameters α_{2}, four-point susceptibility χ_{4}, and vector spatiotemporal correlation functions S_{vec}, respectively. Detail analysis shows that it is the competition between the dual roles of particle activity, namely, activity-induced higher effective temperature and activity-induced clustering, that leads to such nontrivial nonmonotonic behaviors. In addition, we find that DH may also show a maximum level at an intermediate value of φ_{a} if τ is large enough, implying that a more crowded system may be less heterogeneous than a less crowded one for a system with high particle activity.

摘要

我们研究了硬球粒子系统中的时空动态异质性(DH),该系统受到幅度恒定且方向随机的主动力的作用,由具有相关时间 τ 的旋转扩散决定。我们使用了各种可观测量来描述 DH 行为,包括偏离标准的斯托克斯-爱因斯坦(SE)关系、在一定时间间隔 Δt 内粒子位移分布的非高斯参数 α_{2}(Δt)、在某个时间窗口 Δt 内任意两点之间的动力学相关性的四点灵敏度 χ_{4}(Δt,ΔL),以及在粒子对之间的向量时空相关函数 S_{vec}(R,Δt),其中粒子对在时间间隔 Δt 内分离距离 R。通过将粒子运动映射到具有恒定跳跃长度的连续时间随机行走中,我们可以获得平均等待时间 〈t_{x}〉∝D_{s}^{-1}和持续时间 〈t_{p}〉∝η,其中 D_{s}是自扩散系数,η是剪切粘度,使得可观测量 λ=〈t_{p}〉/〈t_{x}〉∝D_{s}η可以作为控制参数 τ 的函数进行计算,以显示其如何偏离其 SE 值 λ_{0}。有趣的是,我们发现 λ/λ_{0}在大体积分数 φ_{a}下表现出非单调行为,其中 λ/λ_{0}在 τ 的某个中间值处经历最小值,这表明小和大的粒子活性都可能导致强烈的 DH。这种再进入现象分别在非高斯参数 α_{2}、四点灵敏度 χ_{4}和向量时空相关函数 S_{vec}中进一步得到证明。详细分析表明,正是粒子活性的双重作用之间的竞争导致了这种非单调行为,即活性诱导的更高有效温度和活性诱导的聚类。此外,如果 τ 足够大,我们还发现 DH 也可能在 φ_{a}的中间值处显示出最大值,这意味着对于具有高粒子活性的系统,一个更拥挤的系统可能比一个不那么拥挤的系统具有更低的异质性。

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