发表机构
Institute of Applied Physics and Computational Mathematics; National Key Laboratory of Computational Physics; Tianfu Institute of Innovative Energy Research（应用物理与计算数学研究所; 计算物理学国家重点实验室; 天府创新能源研究院）
机构由 AI 辅助整理，请以论文原文为准。AI 中文总结
本研究用混合确定性-随机密度泛函理论计算温稠密铝的状态方程和输运系数，发现与模型预测存在显著偏差，为辐射流体动力学模拟提供关键输入数据。
AI 中文摘要
铝是高能量密度研究中的参考标准，并用作兆安级Z箍缩装置中的衬层材料。我们采用混合确定性-随机有限温度密度泛函理论，计算了温度高达1000 eV的液态铝的状态方程和输运系数，并将结果与基于模型的方法进行了比较。我们发现，在T<200 eV时，高密度下密度泛函结果与模型差异超过10%，最大偏差超过30%（在T=10 eV时），导致高压缩下Hugoniot曲线出现显著差异；在T~100 eV时，计算得到的电导率和热导率与模型预测偏差为26%至63%。我们进一步采用Drude模型和Epperlein-Haines框架来研究电导率对磁场的依赖性。这些结果可为辐射流体动力学代码提供有价值的输入数据。
英文摘要
Aluminum is a reference standard in high-energy-density research and serves as a liner material in megampere Z-pinch facilities. Using mixed deterministic-stochastic finite-temperature density functional theory, we compute the equation of state and transport coefficients of liquid aluminum up to temperatures of 1000 eV and compare the results with model-based approaches. We find that for T<200 eV the density-functional results differ from the models by more than 10% at high density, with a maximum deviation of over 30% (at T = 10 eV), leading to significant discrepancies in the Hugoniot curve at high compression; the calculated electrical and thermal conductivities deviate from model predictions by 26% to 63% at T~100 eV. We further employ the Drude model and the Epperlein-Haines framework to examine the magnetic-field dependence of the conductivities. These results can provide valuable input data for radiation-hydrodynamics codes.
