Commun. Comput. Phys., 12 (2012), pp. 1121-1128.


First-Principles Calculations of Shocked Fluid Helium in Partially Ionized Region

Cong Wang 1, Xian-Tu He 2, Ping Zhang 2*

1 LCP, Institute of Applied Physics and Computational Mathematics, P.O. Box 8009, Beijing 100088, China.
2 LCP, Institute of Applied Physics and Computational Mathematics, P.O. Box 8009, Beijing 100088, China; and Center for Applied Physics and Technology, Peking University, Beijing 100871, China.

Received 29 April 2011; Accepted (in revised version) 12 December 2011
Available online 17 April 2012
doi:10.4208/cicp.290411.121211a

Abstract

Quantum molecular dynamic simulations have been employed to study the equation of state (EOS) of fluid helium under shock compressions. The principal Hugoniot is determined from EOS, where corrections from atomic ionization are added onto the calculated data. Our simulation results indicate that principal Hugoniot shows good agreement with gas gun and laser driven experiments, and maximum compression ratio of 5.16 is reached at 106 GPa.

AMS subject classifications: 81Q05, 82D10, 85A04

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Key words: Equation of state, warm dense matter, ab initio simulations.

*Corresponding author.
Email: wang_cong@iapcm.ac.cn (C. Wang), xthe@iapcm.ac.cn (X.-T. He), zhang_ping@iapcm.ac.cn (P. Zhang)
 

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