Effects of fluctuations on correlation functions in inhomogeneous mixtures

A. Ciach, O. Patsahan, A. Meyra
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引用次数: 5

Abstract

Approximate expressions for correlation functions in binary inhomogeneous mixtures are derived in a framework of the mesoscopic theory [Ciach A., Mol. Phys., 2011, {\textbf{109}}, 1101]. Fluctuation contribution is taken into account in a Brazovskii-type approximation. Explicit results are obtained for two model systems. In the two models, the diameters of the hard cores of particles are equal, and the interactions favour a periodic arrangement of alternating species A and B. However, the optimal distance between the species A and B is much different in the two models. Theoretical results for different temperature and volume fractions of the two components are compared with the results of Monte Carlo simulations, and the structure is illustrated by simulation snapshots. Despite different interaction potentials and different length scale of the local ordering, properties of the correlation functions in the two models are very similar.
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波动对非均匀混合物中相关函数的影响
在介观理论的框架下,导出了二元非均匀混合物中相关函数的近似表达式[j]。[j]{\textbf{.农业工程学报}},2011,29(3):1101。在brazovskii型近似中考虑了波动的贡献。得到了两种模型系统的显式结果。在这两个模型中,粒子的硬核直径是相等的,相互作用有利于a种和B种交替的周期性排列。然而,在这两个模型中,a种和B种之间的最佳距离有很大的不同。将两种组分在不同温度和体积分数下的理论结果与蒙特卡罗模拟结果进行了比较,并通过仿真快照对结构进行了说明。尽管两种模型的相互作用势不同,局部有序的长度尺度不同,但两种模型的相关函数性质非常相似。
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