Modelling of warm dense hydrogen via explicit real time electron dynamics: electron transport properties
We extract electron transport properties from atomistic simulations of a two-component plasma by mapping the long-wavelength behaviour to a two-fluid model. The mapping procedure is performed via Markov Chain Monte Carlo sampling over multiple spectra simultaneously. The free-electron dynamic struct...
| Main Authors: | , , , , |
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| Format: | Journal article |
| Jezik: | English |
| Izdano: |
American Physical Society
2025
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| Izvleček: | We extract electron transport properties from atomistic simulations of a two-component plasma by
mapping the long-wavelength behaviour to a two-fluid model. The mapping procedure is performed
via Markov Chain Monte Carlo sampling over multiple spectra simultaneously. The free-electron
dynamic structure factor and its properties have been investigated in the hydrodynamic formulation
to justify its application to the long-wavelength behaviour of warm dense matter. We have applied
this method to warm dense hydrogen modelled with wave packet molecular dynamics and showed
that the inferred electron transport properties are in agreement with a variety of reference calculations, except for the electron viscosity, where a substantive decrease is observed when compared to
classical models. |
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