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Chin. Phys. B, 2017, Vol. 26(6): 065101    DOI: 10.1088/1674-1056/26/6/065101
PHYSICS OF GASES, PLASMAS, AND ELECTRIC DISCHARGES Prev   Next  

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
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.
Keywords:  equation of state      x-ray absorption near-edge spectroscopy      density functional theory      quantum molecular dynamics  
Received:  18 January 2017      Revised:  16 March 2017      Published:  05 June 2017
PACS:  51.30.+i (Thermodynamic properties, equations of state)  
  52.65.Yy (Molecular dynamics methods)  
  64.70.D- (Solid-liquid transitions)  
  78.70.Dm (X-ray absorption spectra)  
Fund: 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).
Corresponding Authors:  Jun Yan     E-mail:  yan_jun@iapcm.ac.cn

Cite this article: 

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 2017 Chin. Phys. B 26 065101

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