We simulate the self-assembly of active colloidal molecules from binary mixtures of spherical particles using a Brownian dynamics algorithm. These particles interact via phoretic interactions, which are determined by two independently tunable parameters, surface activity and surface mobility. In systems composed of equal-size particles, we observe the formation of colloidal molecules with well-defined coordination numbers and spatial arrangement, which also display distinct dynamic functions, such as resting, translating, and rotating. By changing the size ratio to 2 : 1 between the two species, we further observe the formation of colloidal molecules with new structures arising from breaking the size symmetry. By tuning the mutual interactions between the smaller species via their surface mobility, we are able to control their spacing as well as the coordination number of the colloidal molecules. This study highlights the importance of tuning surface parameters and size asymmetry in controlling the structure and the active dynamics of colloidal molecules.

我们使用布朗动力学算法模拟来自球形粒子的二元混合物的活性胶体分子的自组装。这些粒子通过泳动相互作用相互作用，这由两个独立可调参数、表面活性和表面迁移率决定。在由等大小粒子组成的系统中，我们观察到胶体分子的形成，具有明确定义的配位数和空间排列，它们也显示出不同的动态功能，如静止、平移和旋转。通过将两个物种之间的尺寸比更改为 2:1，我们进一步观察了胶体分子的形成，该胶体分子具有因打破尺寸对称性而产生的新结构。通过通过表面迁移率调整较小物种之间的相互作用，我们能够控制它们的间距以及胶体分子的配位数。这项研究强调了调整表面参数和尺寸不对称性在控制胶体分子的结构和活性动力学方面的重要性。