Transport and optical properties of warm dense aluminum in the two-temperature regime: Ab initio calculation and semiempirical approximation

Abstract

This work is devoted to the investigation of transport and optical properties of liquid aluminum in the two-temperature case. At first optical properties, static electrical and thermal conductivities were obtained in the \textit{ab initio} calculation. The \textit{ab initio} calculation is based on the quantum molecular dynamics, density functional theory and the Kubo-Greenwood formula. The semiempirical approximation was constructed based on the results of the \textit{ab initio} caculation. The approximation yields the dependences ${\sigma }_{1_{\mathrm{DC}}}\propto 1/T_i^{0.25}$ and $K\propto T_e/T_i^{0.25}$ for the static electrical conductivity and thermal conductivity, respectively. The approximation is valid for liquid aluminum at $\rho =2.70$~g/cm${}^3$, 3~kK~$\le T_i\le T_e\le 20$~kK. Our results are well described by the Drude model with the effective relaxation time $\tau \propto T_i^{-0.25}$. We have compared our results with a number of other models. They are all reduced in the low-temperature limit to the Drude model with different expressions for the relaxation time $\tau$. Our results are not consistent with the models in which $\tau \propto T_i^{-1}$ and support the models which use the expressions with the slower decrease of the relaxation time.

15 pages, 10 figures

References in corpus (3)

• Electronic transport coefficients from ab initio simulations and application to dense liquid hydrogen
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Cited by in corpus (6)

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• Thermal Transport by Electrons and Ions in Warm Dense Aluminum: A Combined Density Functional Theory and Deep Potential Study
• Electronic heat conductivity in a two-temperature state
• Ab initio calculation of thermodynamic, transport, and optical properties of CH${}_2$ plastics
• Dynamical equations and transport coefficients for the metals at high pulse electromagnetic fields
• Structural, thermodynamic, and transport properties of CH${}_2$ plasma in the two-temperature regime