Electrical and optical properties of warm dense beryllium along the principal Hugoniot
- Institute of Applied Physics and Computational Mathematics, P.O. Box 8009, Beijing 100088 (China)
The electrical and optical properties of warm dense beryllium along the principal Hugoniot for temperatures from 0.95 eV to 10.65 eV and densities from 3.8 to 6.0 g/cm{sup 3} are investigated by using quantum molecular dynamics (QMD) simulations combined with the Kubo-Greenwood formulation. The dc conductivity σ{sub dc} and the ionization fraction are yielded by fitting the optical conductivity with the Drude-Smith model. The first-principles transport coefficients are compared with results of the Lee-More model and the Brysk model [Plasma Phys. 17, 473 (1975)]. Compared with the QMD result, the Lee-More model underestimates σ{sub dc} by 87% at low temperatures, approaches the QMD result gradually with the temperature rising, yet still underestimates σ{sub dc} by 49% corresponding to the temperature 10.65 eV. In the whole temperature range under investigation, the Brysk model overestimates the electronic thermal conductivity κ while the Lee-More model underestimates κ. The differences are reduced with the temperature increasing. At the temperature 10.65 eV, the Brysk κ is still around twice as large as the QMD result, and the Lee-More κ is smaller than the QMD data by about 40%. In addition, QMD Rosseland mean opacities are shown to be three orders of magnitude larger than results of the average-atom model.
- OSTI ID:
- 22493743
- Journal Information:
- Physics of Plasmas, Vol. 22, Issue 9; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 1070-664X
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
SUPERCONDUCTIVITY AND SUPERFLUIDITY
70 PLASMA PHYSICS AND FUSION TECHNOLOGY
ADIABATIC PROCESSES
BERYLLIUM
ELECTRICAL PROPERTIES
EV RANGE
IRREVERSIBLE PROCESSES
MOLECULAR DYNAMICS METHOD
OPACITY
PLASMA SIMULATION
QUANTUM MECHANICS
SHOCK WAVES
TEMPERATURE RANGE 0065-0273 K
THERMAL CONDUCTIVITY