title: Molecular dynamics simulation of strong shock waves propagating in dense deuterium, taking into consideration effects of excited electrons.
abstract: 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)PRLTAO0031-900710.1103/PhysRevLett.99.185003], which explicitly takes the excitation of electrons into consideration. Nonequilibrium features associated with the excitation of electrons are systematically investigated. We show that chemical bonds in D_{2} 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 large scales, 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 that accounts for 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.
authors.affiliation: HEDPS, Center for Applied Physics and Technology, College of Engineering, Peking University, Beijing 100871, China.
authors.forename: Hao
authors.initials: H
authors.lastname: Liu
authors.affiliation: Department of Mechanics and Engineering Science, College of Engineering, Peking University, Beijing 100871, China.
authors.forename: Yin
authors.initials: Y
authors.lastname: Zhang
authors.affiliation: HEDPS, Center for Applied Physics and Technology, College of Engineering, Peking University, Beijing 100871, China.|Collaborative Innovation Center of IFSA (CICIFSA), Shanghai Jiao Tong University, Shanghai 200240, China.
authors.forename: Wei
authors.initials: W
authors.lastname: Kang
authors.affiliation: HEDPS, Center for Applied Physics and Technology, College of Engineering, Peking University, Beijing 100871, China.|Institute of Applied Physics and Computational Mathematics, Beijing 100088, China.
authors.forename: Ping
authors.initials: P
authors.lastname: Zhang
authors.affiliation: HEDPS, Center for Applied Physics and Technology, College of Engineering, Peking University, Beijing 100871, China.|Department of Mechanics and Engineering Science, College of Engineering, Peking University, Beijing 100871, China.
authors.forename: Huiling
authors.initials: H
authors.lastname: Duan
authors.affiliation: HEDPS, Center for Applied Physics and Technology, College of Engineering, Peking University, Beijing 100871, China.|Collaborative Innovation Center of IFSA (CICIFSA), Shanghai Jiao Tong University, Shanghai 200240, China.|Institute of Applied Physics and Computational Mathematics, Beijing 100088, China.
authors.forename: X T
authors.initials: XT
authors.lastname: He