Inverse Design of Self-Assembling Diamond Photonic Lattices from Anisotropic Colloidal Clusters
Inverse Design of Self-Assembling Diamond Photonic Lattices from Anisotropic Colloidal Clusters
复制标题
各向异性胶体团簇自组装金刚石光子晶格的逆向设计
DOI：
10.1021/acs.jpcb.0c08723
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发表时间：
2021
期刊：
影响因子：
--
通讯作者：
Ferguson, Andrew L.
中科院分区：
文献类型：
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作者：
Ma, Yutao;Aulicino, Joseph C.;Ferguson, Andrew L.
具有各向异性相互作用的胶体纳米颗粒是制备复杂功能材料的良好基础。胶体粒子自组装的一个挑战是合理的几何和化学设计，以规划所需目标结构的形成。我们报道了一种结合朗之万动力学模拟和进化算法的逆设计方法，以设计各向异性片状胶体团簇自发组装成具有完整光子带隙的立方金刚石晶格。四面体团簇几何结构和单一类型的各向异性相互作用贴片的优化放置相结合，得到了胶体构建块，预计将以超过82%的产率组装立方体钻石晶格。这种设计代表了一种实验上可行的胶体积木，能够高保真地组装立方体钻石晶格。
Colloidal nanoparticles with anisotropic interactions are promising building blocks for the fabrication of complex functional materials. A challenge in the self-assembly of colloidal particles is the rational design of geometry and chemistry to program the formation of a desired target structure. We report an inverse design procedure integrating Langevin dynamics simulations and evolutionary algorithms to engineer anisotropic patchy colloidal clusters to spontaneously assemble into a cubic diamond lattice possessing a complete photonic band gap. The combination of a tetrahedral cluster geometry and optimized placement of a single type of anisotropic interaction patch results in a colloidal building block predicted to assemble a cubic diamond lattice with more than 82% yield. This design represents an experimentally viable colloidal building block capable of high-fidelity assembly of a cubic diamond lattice.