AI 中文总结
该研究通过数值模拟探究粒子-壁面取向相互作用对活性粒子通过窄通道扩散的影响，明确不同稳定取向构型下扩散系数的变化规律，为理解微/纳米物体在窄通道中的扩散提供理论支撑。
AI 中文摘要
我们通过数值研究了粒子-壁面取向相互作用对活性物质通过无结构二维窄通道扩散的影响。我们考虑粒子-壁面相互作用取决于自推进速度方向，其中粒子相对于边界壁的某些特定取向最稳定。此外，只有当粒子靠近约束边界时，这种取向相互作用才有意义。我们研究了活性粒子在各种可能的稳定速度取向相对于壁面下的无偏扩散。结果表明，对于导致自推进速度方向垂直于壁面的最稳定构型，扩散系数与取向相互作用扭矩的平方成反比。另一方面，当自推进速度方向与通道壁面成锐角的构型最稳定时，扩散随取向相互作用的增强呈指数增长。因此，粒子-壁面相互作用在活性粒子通过窄通道的输运控制中起着关键作用。此外，取向相互作用对扩散的影响很大程度上取决于粒子的自推进性质及其手性。我们的模拟结果有望用于理解人工或生物微/纳米物体（如病毒、细菌、Janus粒子等）在狭窄受限结构中的无偏扩散。
英文摘要
We numerically examine the impacts of particle-wall alignment interactions on active species diffusion through a structureless narrow two-dimensional channel. We consider particle-wall interaction to depend on the self-propulsion velocity direction whereby some specific particle's alignments with respect to the boundary walls are stabilized most. Further, the alignment interaction is meaningful as long as particles are close to the confining boundaries. Unbiased diffusion of active particles for various possible stable velocity alignments against the walls has been examined. We show that for the most stable configuration leading to self-propulsion velocity direction perpendicular to the wall, diffusivity becomes inversely proportional to the square of alignment interaction torque. On the other hand, when the self-propulsion velocity direction making an acute angle to the channel walls is the most stable configuration, diffusion exponentially grows with strengthening alignment interaction. Hence, particle-wall interaction plays a pivotal role in the transport control of active particles through narrow channels. Moreover, the impacts of the alignment interactions on diffusion largely depend on the particle's self-propulsion properties and its chirality. Our simulation results can potentially be used to understand unbiased diffusion of artificial or living micro/nano-objects (such as virus, bacteria, Janus particles, etc.) though narrow confined structures.
Journal refSoft Matter 20 (2024) 8267-8277
