论文标题
一种简单的解决方案,解决了自组装立方钻石晶体的问题
A simple solution to the problem of self-assembling cubic diamond crystals
论文作者
论文摘要
从技术和基本的角度来看,胶体钻石(CD)晶体的自组装被认为是纳米技术最令人垂涎的目标之一。对于应用,胶体钻石是一种光子晶体,可以打开操纵光以进行信息处理的新可能性。从基本的角度来看,其独特的对称性加剧了一系列问题,这些问题通常在目标结构的自组装过程中,例如动力学陷阱的存在以及结晶缺陷和替代结构(多晶型)的形成。在这里,我们证明所有这些问题都可以通过SAT-Asembly系统地解决,该设计框架将自组装转换为令人满意的问题。与以前的溶液相反(需要四个或多个组件),我们证明CD晶体的组装仅需要二元混合物。此外,我们使用近一百万个核苷酸组成的系统的分子动力学模拟来测试DNA纳米技术设计,该设计构成了实验实现的有前途的候选人。
The self-assembly of colloidal diamond (CD) crystals is considered as one of the most coveted goals of nanotechnology, both from the technological and fundamental points of view. For applications, colloidal diamond is a photonic crystal which can open new possibilities of manipulating light for information processing. From a fundamental point of view, its unique symmetry exacerbates a series of problems that are commonly faced during the self-assembly of target structures, such as the presence of kinetic traps and the formation of crystalline defects and alternative structures (polymorphs). Here we demonstrate that all these problems can be systematically addressed via SAT-assembly, a design framework that converts self-assembly into a satisfiability problem. Contrary to previous solutions (requiring four or more components), we prove that the assembly of the CD crystal only requires a binary mixture. Moreover, we use molecular dynamics simulations of a system composed by nearly a million nucleotides to test a DNA nanotechnology design that constitutes a promising candidate for experimental realization.