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受限二维二元胶体晶体:裂纹形成的蒙特卡罗模拟。

Confined binary two-dimensional colloidal crystals: Monte Carlo simulation of crack formation.

机构信息

Institut für Physik, Johannes Gutenberg-Universität Mainz, Staudinger Weg 7, D-55099 Mainz, Germany.

出版信息

J Phys Condens Matter. 2011 Jan 26;23(3):035105. doi: 10.1088/0953-8984/23/3/035105. Epub 2010 Dec 21.

Abstract

Binary mixtures (A, B) of colloidal particles of different sizes in two dimensions may form crystals with square lattice structure (the A-particles occupying the white sites and the B-particles the black sites of a checkerboard). Confining such a system by two parallel 'walls' a distance D apart, long-range order in the direction parallel to the walls is stabilized by 'corrugated walls' that are commensurate with the lattice structure but destabilized by structureless 'hard walls', even if there is no misfit between the strip width D and the crystal lattice spacing. The crossover to quasi-one-dimensional behavior is studied by Monte Carlo simulations, analyzing Lindemann parameters and displacement correlation functions. When D is reduced and thus a misfit created, the stress in the crystal increases up to a critical value, at which the stress jumps to much smaller values due to the formation of an (almost periodic) crack pattern. These cracks typically have a width of several particle diameters, and are mostly disordered, although sometimes small domains with hexagonal order can be identified. At very large misfits, glass-like structures appear. We discuss various methods to characterize order and disorder in such systems.

摘要

不同尺寸胶体粒子的二元混合物(A、B)在二维空间中可能形成具有正方形晶格结构的晶体(A 粒子占据棋盘的白色格点,B 粒子占据黑色格点)。通过两个平行的“壁”将这样的系统限制在一定距离 D 内,与晶格结构相匹配的“波纹壁”稳定了平行于壁的长程有序,但无定形的“硬壁”却破坏了长程有序,即使带的宽度 D 与晶体晶格间距之间没有不匹配。通过蒙特卡罗模拟研究了准一维行为的转变,分析了林德曼参数和位移相关函数。当 D 减小并因此产生不匹配时,晶体中的应力增加到一个临界值,此时由于形成(几乎周期性的)裂纹图案,应力会突然减小到较小的值。这些裂纹通常具有几个粒子直径的宽度,尽管有时可以识别出具有六方有序的小域,但它们主要是无序的。在非常大的不匹配下,会出现类玻璃结构。我们讨论了各种方法来表征此类系统中的有序和无序。

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