Stability of Diverse Dodecagonal Quasicrystals in T-Shaped Liquid Crystalline Molecules

IF 5.1 1区 化学 Q1 POLYMER SCIENCE
Xin Wang, An-Chang Shi*, Pingwen Zhang* and Kai Jiang*, 
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引用次数: 0

Abstract

Quasicrystals are intriguing ordered structures characterized by quasiperiodic translational and noncrystallographic rotational symmetry. The tiling of different geometric units such as triangles and squares in two-dimensional space can result in a great variety of quasicrystals that could be realized by the self-assembly of liquid crystalline molecules. In this study, we introduce three self-similar dodecagonal tilings, including a novel diamond–square–triangle pattern, composed of triangular and quadrangular tiles, and examine their thermodynamic stability by using the self-consistent field theory applied to T-shaped liquid crystalline molecules. Specifically, we detail the inflation rules for the construction of these dodecagonal tilings, analyze their self-similarity, and show that these tilings can be viewed as projections of higher-dimensional periodic lattice points with projection windows. Using these dodecagonal tilings as initial configurations of the SCFT results in solutions corresponding to quasicrystals that could form from T-shaped liquid crystalline molecules. The relative stability of these aperiodic phases is analyzed to obtain design rules that could stabilize quasicrystals. Meanwhile, we provide a criterion for distinguishing three dodecagonal quasicrystals and their approximants by analyzing their diffraction peaks. These findings shed new light on the discovery of new quasicrystals in soft materials.

t型液晶分子中各种十二面准晶的稳定性
准晶体是一类具有准周期平动和非晶体化旋转对称性的有序结构。在二维空间中对三角形、正方形等不同几何单元进行平铺,可以形成多种准晶体,这些准晶体可以通过液晶分子的自组装来实现。在这项研究中,我们引入了三种自相似的十二面瓷砖,包括一种由三角形和四边形瓷砖组成的新型菱形-方形-三角形图案,并通过应用于t形液晶分子的自洽场理论来检验它们的热力学稳定性。具体地说,我们详细地描述了这些十二角形贴图构造的膨胀规则,分析了它们的自相似性,并表明这些贴图可以被看作是具有投影窗口的高维周期点阵点的投影。使用这些十二角形平铺层作为SCFT的初始构型,可以得到对应于准晶体的溶液,这些准晶体可以由t形液晶分子形成。分析了这些非周期相的相对稳定性,得到了稳定准晶体的设计规则。同时,通过分析它们的衍射峰,给出了区分三种十二角准晶体及其近似晶体的判据。这些发现为在软质材料中发现新的准晶体提供了新的线索。
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来源期刊
Macromolecules
Macromolecules 工程技术-高分子科学
CiteScore
9.30
自引率
16.40%
发文量
942
审稿时长
2 months
期刊介绍: Macromolecules publishes original, fundamental, and impactful research on all aspects of polymer science. Topics of interest include synthesis (e.g., controlled polymerizations, polymerization catalysis, post polymerization modification, new monomer structures and polymer architectures, and polymerization mechanisms/kinetics analysis); phase behavior, thermodynamics, dynamic, and ordering/disordering phenomena (e.g., self-assembly, gelation, crystallization, solution/melt/solid-state characteristics); structure and properties (e.g., mechanical and rheological properties, surface/interfacial characteristics, electronic and transport properties); new state of the art characterization (e.g., spectroscopy, scattering, microscopy, rheology), simulation (e.g., Monte Carlo, molecular dynamics, multi-scale/coarse-grained modeling), and theoretical methods. Renewable/sustainable polymers, polymer networks, responsive polymers, electro-, magneto- and opto-active macromolecules, inorganic polymers, charge-transporting polymers (ion-containing, semiconducting, and conducting), nanostructured polymers, and polymer composites are also of interest. Typical papers published in Macromolecules showcase important and innovative concepts, experimental methods/observations, and theoretical/computational approaches that demonstrate a fundamental advance in the understanding of polymers.
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