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arXiv 1406.7804cond-mat.soft
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简单单组分质点系中柱状液晶的形成

Formation of a Columnar Liquid Crystal in a Simple One-Component System of Particles

Alfredo Metere, Tomas Oppelstrup, Sten Sarman, Mikhail Dzugutov

摘要:

我们报告的分子动力学模拟表明,柱状液晶,通常由盘状分子形成,可以形成相同的粒子通过球对称势相互作用。当从低密度各向同性液态等容冷却时,模拟系统进行弱的一级相变,其产生由在垂直于柱轴的平面中以六边形图案排列的平行颗粒柱组成的液晶相。柱内的颗粒形成液体结构,并表现出显着的柱内扩散。进一步冷却导致另一个一阶转变,由此柱结构在三维中变得周期性有序,将液晶相转变为晶体。该结果是在简单的单组分质点系中首次观察到液晶形成。它的概念意义在于,它证明了迄今为止仅在不等轴分子系统中产生的液晶也可以由具有适当调整的原子间势的介观软物质和球形颗粒的胶体系统形成。

英文摘要:

We report a molecular dynamics simulation demonstrating that a columnar liquid crystal, commonly formed by disc-shaped molecules, can be formed by identical particles interacting via a spherically symmetric potential. Upon isochoric cooling from a low-density isotropic liquid state the simulated system performed a weak first order phase transition which produced a liquid crystal phase composed of parallel particle columns arranged in a hexagonal pattern in the plane perpendicular to the column axis. The particles within columns formed a liquid structure and demonstrated a significant intracolumn diffusion. Further cooling resulted in another first-order transition whereby the column structure became periodically ordered in three dimensions transforming the liquid-crystal phase into a crystal. This result is the first observation of a liquid crystal formation in a simple one-component system of particles. Its conceptual significance is in that it demonstrated that liquid crystals that have so far only been produced in systems of anisometric molecules, can also be formed by mesoscopic soft-matter and colloidal systems of spherical particles with appropriately tuned interatomic potential.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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