Pérez-Figueroa S E, Gallegos-Lozano Andrés, Mendoza Carlos I
Instituto Politécnico Nacional, ESIME Culhuacan, Av. Santa Ana 1000 Col. San Francisco Culhuacan, 04440 CdMx, Mexico.
Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Apdo. Postal 70-360, 04510 CdMx, Mexico.
Soft Matter. 2022 Sep 21;18(36):6812-6824. doi: 10.1039/d2sm00719c.
We explore the non-trivial structures that can be obtained by the assembly of repulsive core-corona particles confined on a spherical surface. Using Monte Carlo simulations, we study the low-temperature equilibrium configurations as a function of the size of the confining (spherical) surface for a small number of particles ( ≤ 12) and obtain a large variety of minimal-energy arrangements including anisotropic and chiral structures. For a small cluster ( = 4), we construct a phase diagram in the confining surface radius vs corona range plane that showed regions where configurations with a certain energy are not accessible. Also, a phase diagram in the temperature and confining surface radius plane showed the presence of reentrant phases. The assembly of Platonic and Archimedean solids and the emergence of helical structures are also discussed. When the number of particles is large ( ≥ 100), apart from the appearance of defects, the overall configurations correspond closely to the ones formed in an unconfined two-dimensional case. Interestingly, the present model reproduces the symmetry of experimentally obtained small clusters of colloidal spheres confined at the surface of evaporating liquid droplets which cannot be explained in terms of packing of hard spheres. Thus, our simulations provide insight on the role that the softness of the particles may have in the assembly of clusters of nanoparticles.
我们探索了通过组装限制在球面上的排斥性核-冠层粒子所能获得的非平凡结构。利用蒙特卡罗模拟,我们研究了少量粒子(≤12)时低温平衡构型与限制(球形)表面尺寸的函数关系,并获得了包括各向异性和手性结构在内的多种最低能量排列。对于一个小簇(=4),我们在限制表面半径与冠层范围平面上构建了一个相图,该相图显示了具有特定能量的构型无法达到的区域。此外,温度与限制表面半径平面上的相图显示了重入相的存在。我们还讨论了柏拉图体和阿基米德体的组装以及螺旋结构的出现。当粒子数量很大(≥100)时,除了出现缺陷外,整体构型与在无限制二维情况下形成的构型密切对应。有趣的是,本模型再现了实验获得的限制在蒸发液滴表面的胶体球小簇的对称性,而这无法用硬球堆积来解释。因此,我们的模拟为粒子的柔软性在纳米粒子簇组装中可能起到的作用提供了见解。