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具有可变软壳轮廓的二维硬核/软壳系统中的图案形成

Pattern formation in two-dimensional hard-core/soft-shell systems with variable soft shell profiles.

作者信息

Somerville Walter R C, Law Adam D, Rey Marcel, Vogel Nicolas, Archer Andrew J, Buzza D Martin A

机构信息

G. W. Gray Centre for Advanced Materials, Department of Physics & Mathematics, University of Hull, Hull HU6 7RX, UK.

medPhoton GmbH, Strubergasse 16, 5020 Salzburg, Austria.

出版信息

Soft Matter. 2020 Apr 8;16(14):3564-3573. doi: 10.1039/d0sm00092b.

Abstract

Hard-core/soft shell (HCSS) particles have been shown to self-assemble into a remarkably rich variety of structures under compression due to the simple interplay between the hard-core and soft-shoulder length scales in their interactions. Most studies in this area model the soft shell interaction as a square shoulder potential. Although appealing from a theoretical point of view, the potential is physically unrealistic because there is no repulsive force in the soft shell regime, unlike in experimental HCSS systems. To make the model more realistic, here we consider HCSS particles with a range of soft shell potential profiles beyond the standard square shoulder form and study the model using both minimum energy calculations and Monte Carlo simulations. We find that by tuning density and the soft shell profile, HCSS particles in the thin shell regime (i.e., shell to core ratio ) can form a large range of structures, including hexagons, chains, squares, rhomboids and two distinct zig-zag structures. Furthermore, by tuning the density and r1/r0, we find that HCSS particles with experimentally realistic linear ramp soft shoulder repulsions can form honeycombs and quasicrystals with 10-fold and 12-fold symmetry. Our study therefore suggests the exciting possibility of fabricating these exotic 2D structures experimentally through colloidal self-assembly.

摘要

硬核/软壳(HCSS)粒子已被证明在压缩下会由于其相互作用中硬核和软肩长度尺度之间的简单相互作用而自组装成种类极为丰富的结构。该领域的大多数研究将软壳相互作用建模为方肩势。尽管从理论角度来看很有吸引力,但这种势在物理上并不现实,因为与实验性的HCSS系统不同,在软壳区域没有排斥力。为了使模型更符合实际,我们在此考虑具有一系列超出标准方肩形式的软壳势分布的HCSS粒子,并使用最小能量计算和蒙特卡罗模拟来研究该模型。我们发现,通过调整密度和软壳分布,薄壳区域(即壳与核的比率)的HCSS粒子可以形成大范围的结构,包括六边形、链状、正方形、菱形以及两种不同的之字形结构。此外,通过调整密度和r1/r0,我们发现具有实验上现实的线性斜坡软肩排斥力的HCSS粒子可以形成具有10重和12重对称性的蜂窝状和准晶体。因此,我们的研究表明通过胶体自组装在实验上制造这些奇特二维结构具有令人兴奋的可能性。

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