Quantum molecular dynamics simulations of equation of state of warm   dense ethane

doi:10.1063/1.4962684

CORC > 北京大学 > 工学院

	Quantum molecular dynamics simulations of equation of state of warm dense ethane
	Li, Chuan-Ying ; Wang, Cong ; Li, Yong-Sheng ; Li, Da-Fang ; Li, Zi ; Zhang, Ping
刊名	PHYSICS OF PLASMAS
	2016
关键词	EXOPLANETS HOT
DOI	10.1063/1.4962684
英文摘要	The equation of state of warm dense ethane is obtained using quantum molecular dynamics simulations based on finite-temperature density functional theory for densities from 0.1 g/cm(3) to 3.1 g/cm(3) and temperatures from 0.1 eV to 5.17 eV. The calculated pressure and internal energy are fitted with cubic polynomials in terms of density and temperature. Specific density-temperature-pressure tracks such as the principal and double shock Hugoniot curves along with release isentropes are predicted which are fundamental for the analysis and interpretation of high-pressure experiments. The principal and double shock Hugoniot curves are in agreement with the experimental data from the Sandia Z-Machine [Magyar et al., Phys. Rev. B 91, 134109 (2015)]. Published by AIP Publishing.; National Basic Research program of China [2013CB922200]; National Natural Science Foundation (NSFC) of China [11405010, 11475031, 11275029]; foundation of President of Chinese Academy of Engineering Physics [2014-1-036, 2014-1-029]; foundation for Development of Science and Technology of China Academy of Engineering Physics [2013A0102005, 2014A0102005]; National Basic Security Research Program of China; National High-Tech ICF Committee of China; SCI(E); EI; ARTICLE; zhang_ping@iapcm.ac.cn; 9; 23
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/494337]
专题	工学院
推荐引用方式 GB/T 7714	Li, Chuan-Ying,Wang, Cong,Li, Yong-Sheng,et al. Quantum molecular dynamics simulations of equation of state of warm dense ethane[J]. PHYSICS OF PLASMAS,2016.
APA	Li, Chuan-Ying,Wang, Cong,Li, Yong-Sheng,Li, Da-Fang,Li, Zi,&Zhang, Ping.(2016).Quantum molecular dynamics simulations of equation of state of warm dense ethane.PHYSICS OF PLASMAS.
MLA	Li, Chuan-Ying,et al."Quantum molecular dynamics simulations of equation of state of warm dense ethane".PHYSICS OF PLASMAS (2016).