具有竞争相互作用的二元混合单角戏的长程和短程顺序模式。

IF 2.8 3区 化学 Q3 CHEMISTRY, PHYSICAL
Soft Matter Pub Date : 2025-08-06 DOI:10.1039/D5SM00543D
M. Litniewski, W. T. Gozdz and A. Ciach
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引用次数: 0

摘要

在生物或软物质系统中有效相互作用激发的相互作用势的一般模型中,通过分子动力学模拟研究了粒子或大分子二元混合物单层中的横向微偏析。在模型中,类粒子形成小团簇时能量最小,相互作用的符号相反。结果表明,在致密有序相中,侧向微分离的组分在密度相似的情况下形成交替的条纹,或者少数组分的簇填充了多数组分致密相中形成的六边形分布的空隙。在低温条件下,建立了两组分密度平面的定性相图。与单组分体系中有序相的稳定性相比,第二组分的加入显著地扩大了有序相稳定性的温度范围。在较高温度下,由不同尺寸的单个粒子、单组分团簇和双组分超团簇组成的无序相是稳定的。乘积kn(k),其中n(k)表示由k个粒子组成的超团簇的平均数量,随k呈指数衰减,逆衰减率与温度呈线性关系。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Patterns with long and short-range order in monoloyers of binary mixtures with competing interactions

Patterns with long and short-range order in monoloyers of binary mixtures with competing interactions

Lateral microsegregation in a monolayer of a binary mixture of particles or macromolecules is studied by molecular dynamics simulations in a generic model with the interacting potentials inspired by effective interactions in biological or soft-matter systems. In the model, the energy is minimized when like particles form small clusters, and the cross-interaction is of opposite sign. We show that the laterally microsegregated components in the dense ordered phases form alternating stripes for similar densities, or the clusters of the minority component fill the hexagonally distributed voids formed in the dense phase of the majority component. A qualitative phase diagram in the plane of densities of the two components is constructed for low temperatures. An addition of the second component significantly enlarges the temperature range of the stability of the ordered phases compared to the stability of these phases in the one-component system. At higher temperatures, the disordered phase consisting of individual particles, one-component clusters and two-component super-clusters of various sizes is stable. The product kn(k), with n(k) denoting the average number of super-clusters composed of k particles, decays exponentially with k, and the inverse decay rate depends linearly on temperature.

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来源期刊
Soft Matter
Soft Matter 工程技术-材料科学:综合
CiteScore
6.00
自引率
5.90%
发文量
891
审稿时长
1.9 months
期刊介绍: Soft Matter is an international journal published by the Royal Society of Chemistry using Engineering-Materials Science: A Synthesis as its research focus. It publishes original research articles, review articles, and synthesis articles related to this field, reporting the latest discoveries in the relevant theoretical, practical, and applied disciplines in a timely manner, and aims to promote the rapid exchange of scientific information in this subject area. The journal is an open access journal. The journal is an open access journal and has not been placed on the alert list in the last three years.
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