Abstract
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.
Highlights
When liquids are quenched below their melting point by cooling or compression in a manner that suppresses crystallization [1], they exhibit a dramatic slowdown in dynamics and remarkable increase in their viscosity
Three sets of mode coupling theory (MCT) calculations have been performed in order to determine the glass transition line featuring different static properties for the supercooled Yukawa one-component plasmas (YOCP) fluid, i.e., those computed with the hypernetted chain (HNC) approximation (MCT-H calculations), the isomorph-based empirically-modified hypernetted chain (IEMHNC) approach (MCT-I calculations) and the variational modified hypernetted chain (VMHNC) approximation (MCT-V calculations)
The glass transition line of Yukawa one-component plasmas was computed by combining the mode coupling theory of the glass transition with highly accurate structural input obtained from two advanced closures to the integral equation theory of liquids, namely the isomorph-based empirically modified hypernetted chain approach and the variational modified hypernetted chain approach
Summary
When liquids are quenched below their melting point by cooling or compression in a manner that suppresses crystallization [1], they exhibit a dramatic slowdown in dynamics and remarkable increase in their viscosity. Simulations have led to important insight in the physics of supercooled liquids in regimes often not accessible in experiments by adopting simplified models such as the Kob–Andersen [12,13,14] and hard-sphere binary mixtures [15,16]. Theoretical approaches such as mode coupling theory [17,18], random first-order transition theory [19] and dynamic facilitation theory [20] have rationalized some experimental findings and even predicted previously unobserved features of the vitrification process [21,22]. There is space for drastic improvement over the existing prediction due to the use of oversimplified structural input that should be grossly inaccurate within the supercooled liquid regime
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