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汤川流体的变分方法。I. 热力学

Variational approach to Yukawa fluids. I. Thermodynamics

S. A. Khrapak, A. G. Khrapak

arXiv 2607.25908首次发表:更新:

AI 中文总结

研究强耦合汤川流体,用变分方法以硬球流体为参考系统计算相关量,珀库斯-耶维克维里熵适用,与分子动力学模拟结果吻合好,可作预测工具,还估计了强屏蔽区熔化曲线位置。

AI 中文摘要

利用硬球流体作为参考系统,通过变分方法计算强耦合汤川流体的过剩能量、熵和压力。如同单组分等离子体的情况,珀库斯-耶维克维里熵适用于此类计算,与分子动力学模拟的现有结果吻合良好。在强耦合区域与分子动力学结果的一致性尤为显著,使该方法在数值数据稀缺或不可用时成为有用的预测工具。作为变分方法的应用,我们估计了足够强屏蔽区域内熔化曲线的位置。

英文摘要

The excess energy, entropy, and pressure of a strongly coupled Yukawa fluid are calculated from the variational approach using the fluid of hard spheres as a reference system. As in the case of the one-component plasma, the Percus-Yevick virial entropy is appropriate for such calculations and delivers remarkable agreement with available results from molecular dynamics simulations. The agreement with the molecular-dynamics results is particularly impressive in the strongly coupled regime, making this approach a useful predictive tool when numerical data are scarce or not yet available. As an application of the variational approach, we estimate the location of the melting curve in the regime of sufficiently strong screening.

Comments9 pages, 7 figures

Journal refPhys. Rev. E 114, 015216 (2026)

DOI:10.1103/kvnp-nf1l

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