论文标题

波动对不均匀混合物相关功能的影响

Effects of fluctuations on correlation functions in inhomogeneous mixtures

论文作者

Ciach, A., Patsahan, O., Meyra, A.

论文摘要

二元不均匀混合物中相关函数的近似表达式在介观理论的框架中得出[Ciach A.,Mol。 Phys。,2011,{\ textbf {109}},1101]。在Brazovskii-Type近似中考虑了波动贡献。对于两个模型系统,获得了明确的结果。在这两个模型中,粒子硬芯的直径相等,相互作用有利于交替物种A和B的周期性排列。但是,在这两个模型中,物种A和B之间的最佳距离大不相同。将两个组件的不同温度和体积分数的理论结果与蒙特卡洛模拟的结果进行了比较,并通过模拟快照来说明结构。尽管局部排序的不同相互作用势和不同的长度尺度,但两个模型中相关函数的性能非常相似。

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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