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Molecular Dynamics Simulation of Strong Shock Waves Propagating in Dense Deuterium With the Effect of Excited Electrons
We present a molecular dynamics simulation of shock waves propagating in
dense deuterium with the electron force field method [J. T. Su and W. A.
Goddard, Phys. Rev. Lett. 99, 185003 (2007)], which explicitly takes the
excitation of electrons into consideration. Non-equilibrium features associated
with the excitation of electrons are systematically investigated. We show that
chemical bonds in D molecules lead to a more complicated shock wave
structure near the shock front, compared with the results of classical
molecular dynamics simulation. Charge separation can bring about accumulation
of net charges on the large scale, instead of the formation of a localized
dipole layer, which might cause extra energy for the shock wave to propagate.
In addition, the simulations also display that molecular dissociation at the
shock front is the major factor corresponding to the "bump" structure in the
principal Hugoniot. These results could help to build a more realistic picture
of shock wave propagation in fuel materials commonly used in the inertial
confinement fusion
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