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Density-functional calculations of the liquid deuterium Hugoniot, reshock, and reverberation timing

2003; American Physical Society; Volume: 68; Issue: 6 Linguagem: Inglês

10.1103/physrevb.68.064204

1095-3795

M. P. Desjarlais,

Advanced Chemical Physics Studies

The principal Hugoniot of liquid deuterium is calculated with density-functional methods. Particular attention is paid to the convergence of thermodynamic quantities with respect to the plane-wave cutoff energy and other simulation constraints. In contrast to earlier density-functional calculations, it is found that the principal Hugoniot results are in very good agreement with gas-gun data at lower pressures and compression ratios. The results at higher pressures are in very good agreement with data from magnetically launched flyer plates and show slightly less compression than earlier density-functional calculations. In addition to the principal Hugoniot, reshock states from a sapphire anvil and third-shock reverberation timings are also calculated. The latter are found to be in very good agreement with recently published results from magnetically launched flyer-plate experiments.