外磁场和剪切流作用下的 Stockmayer 超胶体磁性聚合物
Stockmayer supracolloidal magnetic polymers under the influence of an applied magnetic field and a shear flow
AI总结：
本文利用分子动力学与 Lattice-Boltzmann 显式溶剂模拟，研究链、环、X、Y 形 SMPs 团簇在剪切流和外磁场中的行为，发现剪切可抑制沿场伸展和解体，Y/X 形结构响应与稳定性最佳。
摘要：
制造流变特性可在纳米或微米尺度上精细调控的磁控胶体这一构想，已引发大量实验与理论研究。理论工作催生了多种体系，其结构单元从单个磁性纳米颗粒，到通过不同机制结合而成的此类纳米颗粒复合物不等。结合方式可以是化学的或物理的，也可以是可逆或不可逆的。构建物理结合体系的一种方法，是让预交联的超胶体磁性聚合物（SMPs）在磁力和范德华型力共同作用下发生团聚。正如本研究所示，这种情况下 SMPs 的拓扑结构可用于调控所得团簇的磁性和流变特性。我们采用分子动力学计算机模拟，并结合以 Lattice-Boltzmann 方法建模的显式溶剂，以模拟由链状、环状、X 形和 Y 形 SMPs 形成的团簇在施加外磁场的剪切流中的行为。我们发现，剪切作用会稳定团簇形状，使其无法沿磁场方向伸展并解体。对外加磁场响应最强且形状稳定性更高的团簇，是由 Y 形和 X 形 SMPs 构成的团簇。
英文摘要：
The idea of creating magnetically controllable colloids whose rheological properties can be finely tuned on the nano- or micro-scale has caused a lot of experimental and theoretical effort. The latter resulted in systems whose building blocks are ranging between single magnetic nanoparticles to complexes of such nanoparticles bound together by various mechanisms. The binding can be either chemical or physical, reversible or not. One way to create a system that is physically bound is to let the precrosslinked supracolloidal magnetic polymers (SMPs) to cluster due to both magnetic and Van-der-Waals-type forces. The topology of the SMPs in this case can be used to tune both magnetic and rheological properties of the resulting clusters as we show in this work. We employ Molecular Dynamics computer simulations coupled with explicit solvent modelled by Lattice-Boltzmann method in order to model the behaviour of the clusters formed by chains, rings, X- and Y-shaped SMPs in a shear flow with externally applied magnetic field. We find that the shear stabilises the shape of the clusters not letting them extend in the direction of the field and disintegrate. The clusters that show the highest response to an applied field and higher shape stability are those made of Y- and X-like SMPs.
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