星形Crowders解的自亚扩散：粒子间相互作用的非单调效应
Self-subdiffusion in solutions of star-shaped crowders: non-monotonic effects of inter-particle interactions
摘要：
我们通过大量的计算机模拟研究了拥挤的二维解中各向异性星形粒子的自扩散。我们调查的面积覆盖率$ϕ$的拥挤和拥挤的粘附性能的瞬态异常扩散制度的影响。我们系统地计算粒子的均方位移（MSD），它们的时间平均MSD，以及有效扩散系数。扩散出现遍历的限制长的轨迹，这样的时间平均的MSD收敛到合奏平均的MSD和功能的时间平均的MSD从个人轨迹的一个小的残余振幅扩展。在中间的时间尺度上，我们量化了系统中的异常扩散。此外，我们表明，平移-但不是旋转-扩散的粒子$D$是一个非单调函数的吸引力之间的强度。两个扩散系数随着拥挤物占据的面积分数$ϕ$而随着$D(ϕ)\sim (1-ϕ/ϕ^*)^2$减小。我们的研究结果可能适用于合理化的实验观察非布朗扩散的一些标准的大分子crowders在体外模拟活细胞的细胞质条件。
英文摘要：
We examine by extensive computer simulations the self-diffusion of anisotropic star like particles in crowded two-dimensional solutions. We investigate the implications of the area coverage fraction $ϕ$ of the crowders and the crowder-crowder adhesion properties on the regime of transient anomalous diffusion. We systematically compute the mean squared displacement (MSD) of the particles, their time averaged MSD, as well as the effective diffusion coefficient. The diffusion appears ergodic in the limit of long traces, such that the time averaged MSD converges towards the ensemble averaged MSD and features a small residual amplitude spread of the time averaged MSD from individual trajectories. At intermediate time scales we quantify the anomalous diffusion in the system. Also, we show that the translational---but not rotational---diffusivity of the particles $D$ is a non-monotonic function of the attraction strength between them. Both diffusion coefficients decrease as $D(ϕ)\sim (1-ϕ/ϕ^*)^2$ with the area fraction $ϕ$ occupied by the crowders. Our results might be applicable to rationalising the experimental observations of non-Brownian diffusion for a number of standard macromolecular crowders used in vitro to mimic the cytoplasmic conditions of living cells.
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