Matter and Radiation at Extremes, Volume. 10, Issue 4, 047602(2025)

A conductivity model for hydrogen based on ab initio simulations

Uwe Kleinschmidta) and Ronald Redmer
Author Affiliations
  • Institut für Physik, Universität Rostock, Albert-Einstein-Strasse 23-24, D-18059 Rostock, Germany
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    Figures & Tables(13)
    Electrical conductivity for a fully ionized hydrogen plasma as a function of temperature and density (color-coded). The results from DFT simulations (<106 K) and the original LM model41 (>106 K) are shown by the circles and those from Eq. (10) using the fitting parameter P(T, ρI) are shown by the curves.
    Thermal conductivity for a fully ionized hydrogen plasma as a function of temperature and density (color-coded). The results from DFT simulations are shown by the circles and those from Eq. (10) using the fitting parameter P(T, ρI) are shown by the curves.
    Ionization degree α as a function of temperature and density (color-coded). The optimal values for the DFT results are shown by the circles (this work) and diamonds (from Holst et al.21), while the best fits for all conditions are shown by the solid curves. For comparison, the resulting α values from the Saha equation are shown by the dashed curves.
    Electrical conductivity as a function of temperature and density (color-coded) for a partially ionized hydrogen plasma. The direct results from the DFT simulations are shown by the circles and the results from the conductivity model are shown by the curves.
    Thermal conductivity as a function of temperature and density (color-coded) for a partially ionized hydrogen plasma. The direct results from the DFT simulations are shown by the circles, and the results from the conductivity model are shown by the curves.
    Electrical conductivity as a function of temperature for three different densities from our model (triangles) in comparison with the results of Lambert et al.85 (circles) and the Lee–More model23,41 (dashed curves).
    Electron–electron correction factor Ree for different densities (color-coded) from Eq. (34) in Ref. 36.
    Comparison of the electrical conductivity from our model (color-coded solid curves) with the gas-gun experiment of Weir et al.90 and Nellis et al.91 (triangles) and the virial expansion of Röpke et al.64,92 for 1 g/cm3 (green dashed curve).
    Comparison of the electrical conductivity from our model (color-coded curves) with results from an AA model (circles).26 Note that the points below 0.01 g/cm3 are not shown in Fig. 42 of Ref. 26, but are included here with the permission of the authors.
    Residual plot for the electrical conductivity vs temperature for different densities (color-coded). The green area represent a deviation of ±12.5% from the DFT results for T < 106 K and the LM results for T > 106 K, which is in the range of typical error estimates for transport coefficients.
    Residual plot for the thermal conductivity vs temperature for different densities (color-coded). The green area represents a deviation of ±12.5% from the DFT results, which is in the range of typical error estimates for transport coefficients.
    • Table 1. Values of the coefficients aj in P(T, ρI) given by Eq. (18).

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      Table 1. Values of the coefficients aj in P(T, ρI) given by Eq. (18).

      a027.95 × 1039 s/(J3/2·m3)
      a1−0.229 9
      a20.104 9
      a30.007 793 × 1039 s/(J3/2·m3)
      a40.427 9
      a50.214 9 × 1039 s/(J3/2·m3)
      a68.527 × 1039 s/(J3/2·m3)
      a70.541 4
      a81.523
      a92.455
    • Table 2. Coefficients bi for the ionization degree α in Eq. (19).

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      Table 2. Coefficients bi for the ionization degree α in Eq. (19).

      b00.043 91
      b10.828 50
      b21.918 × 109
      b3−2.471 0
      b42.697 0
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    Uwe Kleinschmidt, Ronald Redmer. A conductivity model for hydrogen based on ab initio simulations[J]. Matter and Radiation at Extremes, 2025, 10(4): 047602

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    Paper Information

    Received: Nov. 28, 2024

    Accepted: Apr. 13, 2025

    Published Online: Jul. 28, 2025

    The Author Email: Uwe Kleinschmidt (uwe.kleinschmidt@uni-rostock.de)

    DOI:10.1063/5.0250970

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