Ab initio simulations of dense liquid deuterium: Comparison with gas gun shock wave experiments
نویسندگان
چکیده
We present first principles molecular dynamics simulations of the equation of state of liquid deuterium up to eightfold compression and temperatures between 2000 and 20000 K. We report significant technical improvements over previous density functional calculations leading to excellent agreement with gas gun shock wave measurements, which have provided well established experimental data for the deuterium Hugoniot. The principal Hugoniot is further investigated by performing simulations with rigid deuterium molecules. We also compute the double-shock Hugoniot curve and compare calculated and measured reshock temperatures.
منابع مشابه
Calculation of a deuterium double shock Hugoniot from ab initio simulations.
We calculate the equation of state of dense deuterium with two ab initio simulation techniques, path integral Monte Carlo and density functional theory molecular dynamics, in the density range of 0.67 < or = rho < or = 1.60 g cm(-3). We derive the double shock Hugoniot and compare with the recent laser-driven double shock wave experiments by Mostovych et al. [Phys. Rev. Lett. 85, 3870 (2000)]. ...
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