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Rational design of helical architectures

机译：螺旋结构的合理设计

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摘要

Nature has mastered the art of creating complex structures through self-assembly of simpler building blocks. Adapting such a bottom-up view provides a potential route to the fabrication of novel materials. However, this approach suffers from the lack of a sufficiently detailed understanding of the noncovalent forces that hold the self-assembled structures together. Here we demonstrate that nature can indeed guide us, as we explore routes to helicity with achiral building blocks driven by the interplay between two competing length scales for the interactions, as in DNA. By characterizing global minima for clusters, we illustrate several realizations of helical architecture, the simplest one involving ellipsoids of revolution as building blocks. In particular, we show that axially symmetric soft discoids can self-assemble into helical columnar arrangements. Understanding the molecular origin of such spatial organisation has important implications for the rational design of materials with useful optoelectronic applications.
机译：大自然已经掌握了通过自组装更简单的构建块来创建复杂结构的艺术。适应这种自下而上的观点提供了制造新颖材料的潜在途径。但是，这种方法缺乏对将自组装结构保持在一起的非共价力的足够详细的理解。在这里，我们证明了自然界确实可以指导我们，因为我们探索了由两个竞争性长度尺度之间相互作用所驱动的非手性结构单元的螺旋路径，就像在DNA中一样。通过描述群集的全局最小值，我们说明了螺旋结构的几种实现，最简单的一种是将旋转椭圆体作为构建块。特别是，我们表明轴向对称的软盘状体可以自组装成螺旋形的圆柱状排列。理解这种空间组织的分子起源对于具有有用的光电应用的材料的合理设计具有重要的意义。

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