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arXiv 1401.4886cond-mat.soft
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板状软球体系的晶相

Crystal phases of soft spheres systems in a slab geometry

Moritz Antlanger, Günther Doppelbauer, Martial Mazars, Gerhard Kahl

摘要:

我们已经确定了软粒子的基态配置(通过反向功率势相互作用)之间的两个硬,不可穿透的墙壁限制。为此,我们使用了一个高度可靠的优化方案,在{ \it消失}温度,同时在一个有代表性的范围内变化的壁分离。除了预期的分层三角形和正方形结构(这是兼容的三维大块面心立方晶格),我们已经确定了高度复杂的中间结构的级联。利用逆幂势的一般标度特性,我们可以确定-对于给定的软度值-一个单一的主曲线,它将能量与壁分离联系起来,而不管系统的密度如何。通过广泛的蒙特卡罗模拟,我们已经在{ \it finite}温度下对这些中间结构进行了更仔细的研究:我们可以提供证据,证明这些粒子排列在相对较大的温度范围内保持稳定。

英文摘要:

We have identified the ground state configurations of soft particles (interacting via inverse power potentials) confined between two hard, impenetrable walls. To this end we have used a highly reliable optimization scheme at {\it vanishing} temperature while varying the wall separation over a representative range. Apart from the expected layered triangular and square structures (which are compatible with the three dimensional bulk fcc lattice), we have identified a cascade of highly complex intermediate structures. Taking benefit of the general scaling properties of inverse power potentials, we could identify -- for a given softness value -- one single master curve which relates the energy to the wall separation, irrespective of the density of the system. Via extensive Monte Carlo simulations, we have performed closer investigations of these intermediate structures at {\it finite} temperature: we could provide evidence to which extent these particle arrangements remain stable over a relatively large temperature range.

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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