Ab initio study of thermodynamically consistent physical properties of warm dense plasma

29th International Conference on Photonic, Electronic, and Atomic Collisions

Gao, Xiang^1 ; Li, Jia-Ming^2,3 ; Zhang, Peihong^4

Beijing Computational Science Research Center, Beijing

100084, China^1

Department of Physics, Center for Atomic and Molecular Nanosciences, Tsinghua University, Beijing

100084, China^2

Key Laboratory for Laser Plasmas, Ministry of Education, Department of Physics, Shanghai Jiao Tong University, Shanghai

200240, China^3

Department of Physics, University at Buffalo, SUNY, Buffalo

NY

14260, United States^4

关键词: Ab initio study;    Electronic temperature;    Equation of state;    First principles electronic structure;    High energy densities;    Parameter spaces;    Warm dense plasmas;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/635/10/102006/pdf
DOI  :  10.1088/1742-6596/635/10/102006

来源: IOP

【 摘 要 】

Thermodynamically consistent equation of state (EOS) of aluminum across a wide range of parameter space is investigated using density functional theory (DFT) based first-principles electronic structure methods. Our results can serve as a benchmark for developing new EOS models and database, and can be conveniently used for modeling important properties and processes of high energy density systems. The interesting electronic structure variations with the increasing electronic temperature are observed and will also be presented for discussion.