论文标题
Kob-Andersen系统中粒子的拼合
Collineations of particles in the Kob-Andersen system
论文作者
论文摘要
许多迹象表明，超冷的液体结构中发生的细微变化与玻璃转变现象有关，对这些变化的详细理解对于开发具有所需特性的新玻璃至关重要。 J.D. Bernal在1962年的Bakerian演讲中，尤其是报道了对几种粒子的大约线性链的观察，称为相关。他发现在研究的硬球系统中，这些插条最多可以包含八个颗粒。从那时起，在许多论文中，在第二次峰值中以超冷液体和玻璃的配对密度函数分裂的背景下，在许多论文中讨论了三个颗粒的插条。但是，似乎涉及更多涉及三个粒子的较长的插条尚未系统地研究。在这里，我们报告了对父母和固有结构冷却的Kob-Andersen颗粒系统的此类相关性的研究。与直觉相反，我们的发现表明，在势能环境跨界温度下，母体结构中的插条数量可以超过相应的固有结构。我们还介绍了一个模型，该模型将长插条与成对密度和角度密度分布功能联系起来，并证明该模型很好地描述了长胶结。本文的第二部分探讨了插条之间的潜在连接和：1）与几何挫败方法相关的披露线，2）拓扑聚类分类方法的低能簇，3）低温超冷的超冷液体中粒子的链样颗粒类似链的合作运动。对于研究的系统，根据使用的方法，在相关和这些现象之间未发现明确的联系。
Numerous indications suggest that subtle changes occurring in the structures of liquids on supercooling are connected to the phenomenon of the glass transition and that detailed understanding of these changes is crucial for the development of new glasses with desired properties. J.D. Bernal in his 1962 Bakerian lecture, in particular, reported about an observation of approximately linear chains of several particles, referred to as collineations. He found that in the studied hard sphere system, these collineations can contain up to eight particles. Since then, the collineations of three particles have been discussed in many papers in the context of the splitting of the second peak in pair density functions of supercooled liquids and glasses. However, it appears that longer collineations involving more that three particles have not been systematically studied. Here, we report on our study of such collineations for the Kob-Andersen system of particles on cooling for the parent and inherent structures. Contrary to intuition, our findings reveal that below the potential energy landscape crossover temperature, the number of collineations in the parent structures can exceed that of the corresponding inherent structures. We also introduce a model that connects long collineations with the pair density and angular density distribution functions and demonstrate that this model describes long collineations quite well. The second part of the paper explores potential connections between collineations and: 1) the disclination lines associated with the geometric frustration approach, 2) low-energy clusters from the topological cluster classification approach, 3) chain-like cooperative motion of particles in low-temperature supercooled liquids. For the studied system, according to the used methods, no clear connection was found between collineations and these phenomena.
