通过方向性偶-偶相互作用塑造盘状粒子的聚集体

平面大分子和胶体粒子系统中的聚集过程驱动着自然系统和柔性材料中的一系列现象。 Depending on their chemical architecture, intermolecular interactions in these systems may favor different relative pair orientations, such as stacking face-face or percolating edge-edge arrangements. In this work, we employ a versatile coarse-grained interaction model for disk-like particles to provide a general framework to rationalize the thermotropic formation of aggregates and predict the topology of the resulting suprastructures. Monte Carlo and Brownian Dynamics simulations show that, with an appropriate tuning of the interactions, discotics spontaneously nucleate into clusters with globular, planar or stacked geometries, leading to materials with specific internal order and associated physicochemical properties.