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Equation of state of hot, dense magnesium derived with first-principles computer simulations
- Source :
- Physics of Plasmas. 27:092706
- Publication Year :
- 2020
- Publisher :
- AIP Publishing, 2020.
-
Abstract
- Using two first-principles computer simulation techniques, path integral Monte Carlo and density functional theory molecular dynamics, we derive the equation of state of magnesium in the regime of warm dense matter, with densities ranging from 0.43 to 86.11 g cm − 3 and temperatures from 20 000 K to 5 × 10 8 K. These conditions are relevant for the interiors of giant planets and stars as well as for shock compression measurements and inertial confinement fusion experiments. We study ionization mechanisms and the electronic structure of magnesium as a function of density and temperature. We show that the L shell electrons, 2s and 2p energy bands, merge at high densities. This results in gradual ionization of the L-shell with increasing density and temperature. In this regard, Mg differs from MgO, which is also reflected in the shape of its principal shock Hugoniot curve. For Mg, we predict a single broad pressure-temperature region, where the shock compression ratio is approximately 4.9. Mg thus differs from Si and Al plasmas that exhibit two well-separated compression maxima on the Hugoniot curve for L and K shell ionizations. Finally, we study multiple shocks and effects of preheat and precompression.
- Subjects :
- Physics
Equation of state
Electron shell
Plasma
Warm dense matter
Condensed Matter Physics
01 natural sciences
Molecular physics
010305 fluids & plasmas
13. Climate action
Ionization
0103 physical sciences
Density functional theory
010306 general physics
Inertial confinement fusion
Path integral Monte Carlo
Subjects
Details
- ISSN :
- 10897674 and 1070664X
- Volume :
- 27
- Database :
- OpenAIRE
- Journal :
- Physics of Plasmas
- Accession number :
- edsair.doi...........32094586bf6a18e984050d187b63f871