标题： 设计具有简单相互作用的胶体粒子二元混合物以组装复杂晶体 显示英文标题

标题： Designing binary mixtures of colloidal particles with simple interactions that assemble complex crystals

摘要： 用于设计胶体粒子之间相互作用以诱导自组装的计算方法因其有望发现定制材料而受到广泛关注。 然而，将计算设计的相互作用转化为实验仍然常常是一个挑战，因为它们可能具有过于复杂甚至无法物理实现的特性。 为了弥合这一差距，我们利用相对熵最小化来设计能够组装晶体超晶格的二元胶体粒子对势。 我们通过施加由DNA功能化纳米颗粒所激发的物理动机的对势形式和参数化的约束，降低了相互作用设计空间的维度和范围。 我们表明，即使结构复杂，诸如蜂窝状和立方钻石等二维和三维晶格也可以使用简单的相互作用进行组装。 我们还发现，设计参数所使用的初始条件以及组装协议在决定组装过程的结果和成功方面起着重要作用。 显示英文摘要

摘要： Computational methods for designing interactions between colloidal particles that induce self-assembly have received much attention for their promise to discover tailored materials. However, it often remains a challenge to translate computationally designed interactions to experiments because they may have features that are too complex, or even infeasible, to physically realize. Toward bridging this gap, we leverage relative-entropy minimization to design pair potentials for binary mixtures of colloidal particles that assemble crystal superlattices. We reduce the dimensionality and extent of the interaction design space by enforcing constraints on the form and parametrization of the pair potentials that are physically motivated by DNA-functionalized nanoparticles. We show that several two- and three-dimensional lattices, including honeycomb and cubic diamond, can be assembled using simple interactions despite their complex structures. We also find that the initial conditions used for the designed parameters as well as the assembly protocol play important roles in determining the outcome and success of the assembly process.