Equation of state for warm dense lithium： A first principles investigation
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...
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| Published in | Chinese physics B Vol. 26; no. 6; pp. 213 - 217 |
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| Main Author | |
| Format | Journal Article |
| Language | English |
| Published |
01.06.2017
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| Online Access | Get full text |
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| Summary: | 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. |
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| Bibliography: | equation of state, x-ray absorption near-edge spectroscopy, density functional theory, quantum molecular dynamics Feiyun Long1, Haitao Liu1, Dafang Li1, Jun Yan1,2（ 1 Institute of Applied Physics and Computational Mathematics, Beijing 100088, China; 2 Center for Applied Physics and Technology, Peking University, Beijing 100871, China） 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. 11-5639/O4 |
| ISSN: | 1674-1056 2058-3834 |
| DOI: | 10.1088/1674-1056/26/6/065101 |