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APS -APS March Meeting 2017 - Event - Self-Assembly of Janus Colloids under Flow

机译:APS -APS 2017年3月会议-活动-正在流动的Janus胶体自组装

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Functionalized colloids have attracted an increasing amount of attention due to their inherent capacity to self-assemble into complex hierarchical structures, such as micelles, vesicles, or lamellar phases. The majority of previous studies has focused on the equilibrium behavior of these systems in the bulk, where self-assembly occurs as the result of the interplay between the particle interactions and diffusive transport. However, equilibrium is often never reached in many biological and physical systems due to external fields or dynamic arrest. To study these non-equilibrium situations, we performed molecular dynamics simulations of Janus colloids under flow. At rest, the Janus colloids spontaneously assembled into spherical micelles. Under strong shear, they broke up into smaller fragments and isolated particles. Nonetheless, an intermediate shear rate regime was found where the growth of the micelles was favored. The simulations revealed that clusters composed of either 6 or 13 particles were most stable towards shear due to the high geometric symmetry of these aggregates. Furthermore, a sizable fraction of free particles and small clusters with 3 and 4 members was found at the walls when the channel was made out of a comparably solvophobic material as the colloids.
机译:功能化胶体由于其自身组装成复杂的分层结构(例如胶束,囊泡或层状相)的固有能力而吸引了越来越多的关注。先前的大多数研究都集中于这些系统在整体中的平衡行为,在这些系统中,由于粒子相互作用和扩散传输之间相互作用的结果而发生自组装。但是,由于外部场或动态阻滞,在许多生物和物理系统中通常永远都达不到平衡。为了研究这些非平衡情况,我们在流动下对Janus胶体进行了分子动力学模拟。静止时,Janus胶体自发地组装成球形胶束。在强剪切作用下,它们分解成较小的碎片和孤立的颗粒。然而,发现了中等剪切速率机制,其中胶束的生长是有利的。模拟表明,由于这些聚集体的高度几何对称性,由6或13个颗粒组成的簇对剪切最为稳定。此外,当通道由相当疏溶剂的胶体制成时,在壁上发现了相当数量的游离颗粒和3到4个成员的小簇。

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