复杂流体中颗粒的自扩散：暂时的笼和永久的障
Self diffusion of particles in complex fluids: temporary cages and permanent barriers
摘要：
我们研究了动态密度泛函理论中的致密（非）均匀复杂流体中的单个粒子的自扩散，并明确地解释了它们与时间波动背景粒子的耦合。应用形式主义的棒状粒子在单轴晶和近晶相液晶，我们发现在不同方向的相关扩散：由相邻粒子形成的临时笼竞争与永久的障碍，在周期性的非均匀系统，如层状近晶态和延迟的自扩散的粒子，即使在均匀的系统。我们比较我们的理论与最近的实验数据荧光标记的丝状病毒颗粒在近晶相的水分散体中的自扩散，并找到定性的协议。这表明了明确处理每个粒子所经历的依赖于时间的自洽分子场的重要性。
英文摘要：
We study the self diffusion of individual particles in dense (non-)uniform complex fluids within dynamic density functional theory and explicitly account for their coupling to the temporally fluctuating background particles. Applying the formalism to rod-like particles in uniaxial nematic and smectic liquid crystals, we find correlated diffusion in different directions: The temporary cage formed by the neighboring particles competes with permanent barriers in periodic inhomogeneous systems such as the lamellar smectic state and delays self diffusion of particles even in uniform systems. We compare our theory with recent experimental data on the self diffusion of fluorescently labelled filamentous virus particles in aqueous dispersions in the smectic phase and find qualitative agreement. This demonstrates the importance of explicitly dealing with the time-dependent self-consistent molecular field that every particle experiences.
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