Space and Plasma Physics, Royal Institute of Technology, SE-100 44 Stockholm, Sweden.
Molecules. 2021 Jan 28;26(3):669. doi: 10.3390/molecules26030669.
The mode coupling theory of supercooled liquids is combined with advanced closures to the integral equation theory of liquids in order to estimate the glass transition line of Yukawa one-component plasmas from the unscreened Coulomb limit up to the strong screening regime. The present predictions constitute a major improvement over the current literature predictions. The calculations confirm the validity of an existing analytical parameterization of the glass transition line. It is verified that the glass transition line is an approximate isomorphic curve and the value of the corresponding reduced excess entropy is estimated. Capitalizing on the isomorphic nature of the glass transition line, two structural vitrification indicators are identified that allow a rough estimate of the glass transition point only through simple curve metrics of the static properties of supercooled liquids. The vitrification indicators are demonstrated to be quasi-universal by an investigation of hard sphere and inverse power law supercooled liquids. The straightforward extension of the present results to bi-Yukawa systems is also discussed.
将过冷液体的模式耦合理论与液体积分方程理论的先进封闭相结合，以便从无屏蔽库仑极限到强屏蔽区域估算 Yukawa 单组分等离子体的玻璃转变线。目前的预测比当前文献的预测有了重大改进。该计算证实了玻璃转变线的现有分析参数化的有效性。验证了玻璃转变线是一个近似同构曲线，并且估计了相应的减少过剩熵的值。利用玻璃转变线的同构性质，确定了两个结构玻璃化指标，仅通过过冷液体静态特性的简单曲线度量即可粗略估计玻璃转变点。通过对硬球和逆幂律过冷液体的研究，证明了玻璃化指标具有准普遍性。还讨论了将当前结果直接扩展到双 Yukawa 系统的问题。
