论文标题
显式溶剂中的活性颗粒：用于对齐相互作用的聚类的动力学
Active Particles in Explicit Solvent: Dynamics of clustering for alignment interaction
论文作者
论文摘要
我们研究含有浸入显式溶剂的活性颗粒的系统中的聚类动力学。为此，我们采用了一种由分子动力学和多粒子碰撞动力学组成的混合模拟方法。在我们的模型中，通过Lennard-Jones电位的变体来照顾活性粒子与另一个活性粒子或溶剂粒子的避免重叠的被动相互作用。活跃粒子之间的动态相互作用已通过促进聚类的Vicsek样自我塑造进行了融合。我们通过相关系统参数的变化来量化活性和流体动力学对聚类动力学的影响。我们与活性颗粒的总体密度低。为此，形态由断开的簇组成，这是颗粒扩散，扩散合并和弹道聚集之间的生长切换机制，具体取决于存在或不存在主动和流体动力的相互作用。在适当的理论图片的背景下，已经对相应的增长定律进行了量化和讨论。我们的结果表明，即使在活性物质系统中，多粒子碰撞动力学也是研究流体动力现象的有效方法。
We study dynamics of clustering in systems containing active particles that are immersed in an explicit solvent. For this purpose we have adopted a hybrid simulation method, consisting of molecular dynamics and multi-particle collision dynamics. In our model, overlap-avoiding passive interaction of an active particle with another active particle or a solvent particle has been taken care of via variants of Lennard-Jones potential. Dynamic interaction among the active particles has been incorporated via the Vicsek-like self-propulsion that facilitates clustering. We quantify the effects of activity and importance of hydrodynamics on the dynamics of clustering via variations of relevant system parameters. We work with low overall density of active particles. For this the morphology consists of disconnected clusters, the mechanism of growth switching among particle diffusion, diffusive coalescence and ballistic aggregation, depending upon the presence or absence of active and hydrodynamic interactions. Corresponding growth laws have been quantified and discussed in the background of appropriate theoretical pictures. Our results suggest that multi-particle collision dynamics is an effective method for investigation of hydrodynamic phenomena even in active matter systems.
