McKetta Department of Chemical Engineering, University of Texas at Austin, Austin, Texas 78712, USA.
J Chem Phys. 2019 Mar 28;150(12):124903. doi: 10.1063/1.5088604.
Assembly of spherical colloidal particles into extended structures, including linear strings, in the absence of directional interparticle bonding interactions or external perturbation could facilitate the design of new functional materials. Here, we use methods of inverse design to discover isotropic pair potentials that promote the formation of single-stranded, polydisperse strings of colloids "colloidomers" as well as size-specific, compact colloidal clusters. Based on the designed potentials, a simple model pair interaction with a short-range attraction and a longer-range repulsion is proposed which stabilizes a variety of different particle morphologies including (i) dispersed fluid of monomers, (ii) ergodic short particle chains as well as porous networks of percolated strings, (iii) compact clusters, and (iv) thick cylindrical structures including trihelical Bernal spirals.
在不存在定向粒子间键相互作用或外部扰动的情况下，将球形胶体颗粒组装成扩展结构，包括线性链，这有助于设计新型功能材料。在这里，我们使用反设计方法来发现各向同性对势能，以促进胶体单链、多分散链“胶体聚合物”以及特定尺寸、紧密胶体簇的形成。基于设计的势能，提出了一种具有短程吸引力和长程排斥力的简单模型对相互作用，该相互作用稳定了各种不同的颗粒形态，包括（i）单体分散流体，（ii）遍历的短颗粒链以及渗透链的多孔网络，（iii）紧密的团簇，以及（iv）包括三叶伯纳尔螺旋的厚圆柱结构。
