期刊
HIGH ENERGY DENSITY PHYSICS
卷 9, 期 2, 页码 309-314出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.hedp.2013.02.001
关键词
Ab initio calculations; Electronic heat capacities; Electronic thermal pressures; Warm dense matter
资金
- Russian Foundation for Basic Research [11-08-01225, 13-02-91057]
- Presidium of the Russian Academy of Sciences
- Russian Federation [NSh-7241.2012.2]
The paper presents electronic heat capacities and thermal pressures calculated for aluminum and tungsten at densities rho(0) <= rho <= 2 rho(0) in the case when the temperature of electrons is finite (a few electron-volts) and nuclei are cold. Calculations were done with the all-electron full-potential linear muffin-tin orbital method (FP-LMTO) and compared with data obtained with the Liberman's average-atom model and the Vienna Ab-initio Simulation Package code (VASP) which uses pseudopotentials. It is shown that results obtained with different approaches qualitatively agree within the ranges of electron temperatures and densities under consideration, and quantitatively agree within 10% in most cases. (C) 2013 Elsevier B.V. All rights reserved.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据