Equation of state for warm dense lithium: A first principles investigation

doi:10.1088/1674-1056/26/6/065101

中国物理B ›› 2017, Vol. 26 ›› Issue (6): 65101-065101.doi: 10.1088/1674-1056/26/6/065101

• PHYSICS OF GASES, PLASMAS, AND ELECTRIC DISCHARGES • 上一篇下一篇

Equation of state for warm dense lithium: A first principles investigation

Feiyun Long(龙飞沄), Haitao Liu(刘海涛), Dafang Li(李大芳), Jun Yan(颜君)

1 Institute of Applied Physics and Computational Mathematics, Beijing 100088, China;
2 Center for Applied Physics and Technology, Peking University, Beijing 100871, China

收稿日期:2017-01-18 修回日期:2017-03-16 出版日期:2017-06-05 发布日期:2017-06-05
通讯作者: Jun Yan E-mail:yan_jun@iapcm.ac.cn
基金资助:
Project supported by the National Natural Science Foundation of China (Grant Nos. 11474034 and 11675024), the Foundation for Development of Science and Technology of China Academy of Engineering Physics (Grant Nos. 2015B0102020 and 2015B0102022), and the Science Challenge Project (Grant No. TZ2016005).

Equation of state for warm dense lithium: A first principles investigation

Feiyun Long(龙飞沄)¹, Haitao Liu(刘海涛)¹, Dafang Li(李大芳)¹, Jun Yan(颜君)^1,2

1 Institute of Applied Physics and Computational Mathematics, Beijing 100088, China;
2 Center for Applied Physics and Technology, Peking University, Beijing 100871, China

Received:2017-01-18 Revised:2017-03-16 Online:2017-06-05 Published:2017-06-05
Contact: Jun Yan E-mail:yan_jun@iapcm.ac.cn
Supported by:
Project supported by the National Natural Science Foundation of China (Grant Nos. 11474034 and 11675024), the Foundation for Development of Science and Technology of China Academy of Engineering Physics (Grant Nos. 2015B0102020 and 2015B0102022), and the Science Challenge Project (Grant No. TZ2016005).

摘要/Abstract

摘要： The quantum molecular dynamics based on the density functional theory has been adopted to simulate the equation of state for the shock compressed lithium. In contrary to some earlier experimental measurement and theoretical simulation, there is not any evidence of the ‘kink’ in the Hugoniot curve in our accurate simulation. Throughout the shock compression process, only a simple solid-to-liquid melting behavior is demonstrated, instead of complicated solid-solid phase transitions. Moreover, the x-ray absorption near-edge spectroscopy has been predicted as a feasible way to diagnose the structural evolution of warm dense lithium in this density region.

关键词: equation of state, x-ray absorption near-edge spectroscopy, density functional theory, quantum molecular dynamics

Abstract: The quantum molecular dynamics based on the density functional theory has been adopted to simulate the equation of state for the shock compressed lithium. In contrary to some earlier experimental measurement and theoretical simulation, there is not any evidence of the ‘kink’ in the Hugoniot curve in our accurate simulation. Throughout the shock compression process, only a simple solid-to-liquid melting behavior is demonstrated, instead of complicated solid-solid phase transitions. Moreover, the x-ray absorption near-edge spectroscopy has been predicted as a feasible way to diagnose the structural evolution of warm dense lithium in this density region.

Key words: equation of state, x-ray absorption near-edge spectroscopy, density functional theory, quantum molecular dynamics

中图分类号: (Thermodynamic properties, equations of state)

51.30.+i

52.65.Yy (Molecular dynamics methods) 64.70.D- (Solid-liquid transitions) 78.70.Dm (X-ray absorption spectra)

龙飞沄, 刘海涛, 李大芳, 颜君. Equation of state for warm dense lithium: A first principles investigation[J]. 中国物理B, 2017, 26(6): 65101-065101.

Feiyun Long(龙飞沄), Haitao Liu(刘海涛), Dafang Li(李大芳), Jun Yan(颜君). Equation of state for warm dense lithium: A first principles investigation[J]. Chin. Phys. B, 2017, 26(6): 65101-065101.

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Equation of state for warm dense lithium: A first principles investigation

Equation of state for warm dense lithium: A first principles investigation

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