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三嵌段椭圆网络:从kagome有序到无序多孔网络

Networks of triblock ellipses: from kagome order to disordered porous networks

Susanne Wagner, Gerhard Kahl, Carina Karner

arXiv 2610.08522首次发表:更新:

发表机构

Institute for Theoretical Physics, TU Wien(维也纳工业大学理论物理研究所)

机构由 AI 辅助整理,请以论文原文为准。

AI 中文总结

本研究利用形状和相互作用各向异性稳定三嵌段椭圆粒子的多孔组装,发现kagome成核为一步路径,并引入粒子-补丁图与面行走算法表征孔隙网络,量化可调有序度。

AI 中文摘要

在胶体中,形状或粒子相互作用的各向异性可以引导组装远离密排单层,而趋向于更复杂的结构。在本研究中,我们同时利用形状和相互作用的各向异性来稳定三嵌段椭圆形粒子的多孔表面组装,这些粒子的表面在相反的两极装饰有两个吸引性补丁。所得结构显示出可调的晶体kagome有序度,通过淬火温度和/或改变化学势来控制。特别地,我们发现进入kagome晶格的成核通过一步路径进行,这与球形三嵌段体系中广泛报道的两步路径形成对比,使得三嵌段椭圆成为研究自组装路径如何随粒子形状变化的有趣模型系统。除了有序晶体结构外,我们还发现了具有复杂内部几何结构的无序多孔网络。为了表征这一系列组装体,我们引入了一种粒子-补丁图,该图明确捕获了键在不同补丁上的定位。键合基序直接由此表示得出,而我们将环识别为孔隙边界,可以通过图的平面嵌入来确定。我们通过面行走算法检测平面嵌入中的所有面边界作为环,这与环检测中使用的最短路径方法不同。结合一个新的局部和全局有序参数,该参数测量环网络相对于选定环尺寸的规则性,这一框架将微观键合基序与介观孔隙性质联系起来,并量化了这些多孔组装体的可调有序度。

英文摘要

In colloids, anisotropy in either shape or particle interactions can steer assemblies away from close-packed monolayers and towards more intricate structures. In this study we utilize both shape and interaction anisotropy to stabilize porous surface assemblies of triblock elliptical particles, whose surfaces are decorated with two attractive patches at opposite poles. The resulting structures display a tunable degree of crystalline kagome order, controlled by quenching the temperature and/or changing the chemical potential. In particular, we find evidence that nucleation into the kagome lattice proceeds via a one-step pathway, in contrast to the two-step route widely reported in spherical triblock systems, making triblock ellipses an interesting model system for studying how self-assembly pathways change with particle shape. Beyond ordered crystalline structures, we find disordered porous networks with complex internal geometry. To characterize this range of assemblies, we introduce a particle-patch graph that explicitly captures the localization of bonds at distinct patches. Bonding motifs follow directly from this representation, while the loops, that we identify as the pore boundaries, can be determined from the graph's planar embedding. We detect all loops as the face boundaries in the planar embedding by means of a face-walking algorithm, distinct from shortest-path approaches used in ring detection. Together with a new local and global order parameter measuring the loop network's regularity with respect to a selected loop size, this framework connects microscopic bonding motifs to mesoscopic pore properties and quantifies the tunable order of these porous assemblies.

论文原文

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