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Concerning the formation of chains of particles in the Kob-Andersen (4:1) and Wahnstr{ö}m (1:1) model liquids on coolind and supercooling
arXiv - PHYS - Soft Condensed Matter Pub Date : 2022-09-16 , DOI: arxiv-2209.07981
V. A. Levashov

We report about a previously not discussed structural feature of the model Kob-Andersen (KA) and Wahnstrom (WH) supercooled liquid systems. In particular, we observed that on cooling and supercooling, in the KA system, the large particles exhibit an increasing tendency to form chains. In the WH system, the chains are formed by the smaller and all particles. The numbers of particles (NoPs) in the chains, if calculated on the inherent structures, exhibit a crossover at the potential energy landscape crossover temperature. The observed chains demonstrate, in a direct way, the presence in the studied liquids of the structural angular ordering on length scale up to 9 inter atomic distances. In our view, the observed chains may represent a tendency of particles in liquids to form small 1D crystals in 3D liquids.

中文翻译:

关于在冷却和过冷的 Kob-Andersen (4:1) 和 Wahnstr{ö}m (1:1) 模型液体中粒子链的形成

我们报告了 Kob-Andersen (KA) 和 Wahnstrom (WH) 过冷液体系统模型的先前未讨论的结构特征。特别是,我们观察到在冷却和过冷时,在 KA 系统中,大颗粒呈现出形成链的趋势。在 WH 系统中,链由较小的所有粒子形成。如果根据固有结构计算链中的粒子数 (NoP),则在势能景观交叉温度下表现出交叉。观察到的链以直接的方式证明了在所研究的液体中存在结构角度排序,其长度尺度高达 9 个原子间距离。在我们看来,观察到的链可能代表液体中的粒子在 3D 液体中形成小的 1D 晶体的趋势。
更新日期:2022-09-19
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