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对称二元SALR混合物中的簇形成

Cluster formation in symmetric binary SALR mixtures.

作者信息

Tan Jiazheng, Afify Nasser D, Ferreiro-Rangel Carlos A, Fan Xianfeng, Sweatman Martin B

机构信息

School of Engineering, The University of Edinburgh, The King's Buildings, Sanderson Building, Mayfield Road, Edinburgh EH9 3JL, United Kingdom.

出版信息

J Chem Phys. 2021 Feb 21;154(7):074504. doi: 10.1063/5.0036046.

Abstract

The equilibrium cluster fluid state of a symmetric binary mixture of particles interacting through short-ranged attractive and long-ranged repulsive interactions is investigated through Monte Carlo simulations. We find that the clustering behavior of this system is controlled by the cross-interaction between the two types of particles. For a weak cross-attraction, the system displays a behavior that is a composite of the behavior of individual components, i.e., the two components can both form giant clusters independently and the clusters distribute evenly in the system. For a strong cross-attraction, we instead find that the resulting clusters are mixtures of both components. Between these limits, both components can form relatively pure clusters, but unlike clusters can join at their surfaces to form composite clusters. These insights should help to understand the mechanisms for clustering in experimental binary mixture systems and help tailor the properties of novel nanomaterials.

摘要

通过蒙特卡罗模拟研究了由通过短程吸引和长程排斥相互作用的粒子组成的对称二元混合物的平衡团簇流体状态。我们发现该系统的聚集行为由两种粒子之间的交叉相互作用控制。对于弱交叉吸引力,系统表现出的行为是各个组分行为的组合,即两种组分都可以独立形成巨型团簇,并且团簇在系统中均匀分布。对于强交叉吸引力,我们反而发现形成的团簇是两种组分的混合物。在这些极限之间,两种组分都可以形成相对纯净的团簇,但不同的团簇可以在其表面结合形成复合团簇。这些见解有助于理解实验二元混合物系统中的聚集机制,并有助于定制新型纳米材料的性能。

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