A wide-range multiphase equation of state for lead

We present a multi-phase equation of state (EOS) for lead (Pb, <i>Z</i> = 82) in wide ranges of densities and temperatures: <inline-formula><tex-math id="M1">\begin{document}$ {11}{.34}\;{\text{g}}/{\text{c}}{{\text{m}}^3} < \rho < 80\; {\text{g}}/{\text{c}}{{\text{m}}^3}{,} $\end{document}</tex-math></inline-formula> <inline-formula><tex-math id="M2">\begin{document}$ 300\;{\mathrm{K}} < T < 10\;{\mathrm{MK}}. $\end{document}</tex-math></inline-formula> The EOS model is based on a standard decomposition of the Helmholtz free energy that is regarded as a function of the specific volume and the temperature into cold term, ion-thermal term, and electronic excitation term. The cold term models both the compression and the expansion states; the ion-thermal term introduces the Debye approximation and the melting entropy; the electronic excitation term employs the Thomas-Fermi-Kirzhnits (TFK) model. The thermodynamic properties of the warm-dense lead are calculated using the extended first-principles molecular dynamics (ext-FPMD) method, with the density reaching five times that of ambient density and the temperature up to 0.4 MK. Our EOS model is used to predict the principle Hugoniot, the room-temperature isotherm, the melting curve, and the thermodynamic properties in the warm-dense region. A systematic comparison with the experimental data, the SESAME-3200 table, and the ext-FPMD calculations is made and shows that our EOS model is consistent with not only the various experimental data, but also the ext-FPMD calculations, indicating some superiority over the SESAME-3200 table in the warm-dense region. The datasets presented in this paper, including the tabular EOS consisting of internal energy and pressure at the different densities and temperatures, are openly available at <ext-link ext-link-type="uri" xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="https://www.doi.org/10.57760/sciencedb.j00213.00166">https://www.doi.org/10.57760/sciencedb.j00213.00166</ext-link>.

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Publication Details

Journal
Acta Physica Sinica
Published
2025-01-01
DOI
https://doi.org/10.7498/aps.74.20250569
Primary Topic
High-pressure geophysics and materials
Type
article
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article

A wide-range multiphase equation of state for lead

Yuechao Wang, Haifeng Song, Xingyu Gao, Qili Zhang et al.
Acta Physica Sinica
High-pressure geophysics and materials
article

A wide-range multiphase equation of state for lead

Yuechao Wang, Haifeng Song, Xingyu Gao, Qili Zhang, Haifeng Liu, Yanhong Zhao, Jun Fang, Bo Sun
article en

Abstract

We present a multi-phase equation of state (EOS) for lead (Pb, <i>Z</i> = 82) in wide ranges of densities and temperatures: <inline-formula><tex-math id="M1">\begin{document}$ {11}{.34}\;{\text{g}}/{\text{c}}{{\text{m}}^3} < \rho < 80\; {\text{g}}/{\text{c}}{{\text{m}}^3}{,} $\end{document}</tex-math></inline-formula> <inline-formula><tex-math id="M2">\begin{document}$ 300\;{\mathrm{K}} < T < 10\;{\mathrm{MK}}. $\end{document}</tex-math></inline-formula> The EOS model is based on a standard decomposition of the Helmholtz free energy that is regarded as a function of the specific volume and the temperature into cold term, ion-thermal term, and electronic excitation term. The cold term models both the compression and the expansion states; the ion-thermal term introduces the Debye approximation and the melting entropy; the electronic excitation term employs the Thomas-Fermi-Kirzhnits (TFK) model. The thermodynamic properties of the warm-dense lead are calculated using the extended first-principles molecular dynamics (ext-FPMD) method, with the density reaching five times that of ambient density and the temperature up to 0.4 MK. Our EOS model is used to predict the principle Hugoniot, the room-temperature isotherm, the melting curve, and the thermodynamic properties in the warm-dense region. A systematic comparison with the experimental data, the SESAME-3200 table, and the ext-FPMD calculations is made and shows that our EOS model is consistent with not only the various experimental data, but also the ext-FPMD calculations, indicating some superiority over the SESAME-3200 table in the warm-dense region. The datasets presented in this paper, including the tabular EOS consisting of internal energy and pressure at the different densities and temperatures, are openly available at <ext-link ext-link-type="uri" xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="https://www.doi.org/10.57760/sciencedb.j00213.00166">https://www.doi.org/10.57760/sciencedb.j00213.00166</ext-link>.

Acta Physica SinicaVol. 74(15)
Affordable and clean energy
Openalex Percentile: Top 84%
High-pressure geophysics and materials
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