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arxiv: 1710.04191 · v1 · pith:5NU5ARP6new · submitted 2017-09-21 · ❄️ cond-mat.mtrl-sci · physics.chem-ph· physics.geo-ph· physics.plasm-ph

Isochoric, isobaric and ultrafast conductivities of aluminum, lithium and carbon in the warm dense matter (WDM) regime

classification ❄️ cond-mat.mtrl-sci physics.chem-phphysics.geo-phphysics.plasm-ph
keywords sigmacarbontemperaturecalculationscomparedconductivitiesmatterstate
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We study the conductivities $\sigma$ of (i) the equilibrium isochoric state ($\sigma_{\rm is}$), (ii) the equilibrium isobaric state ($\sigma_{\rm ib}$), and also the (iii) non-equilibrium ultrafast matter (UFM) state ($\sigma_{\rm uf}$) with the ion temperature $T_i$ less than the the electron temperature $T_e$. Aluminum, lithium and carbon are considered, being increasingly complex warm dense matter (WDM) systems, with carbon having transient covalent bonds. First-principles calculations, i.e., neutral-pseudoatom (NPA) calculations and density-functional theory (DFT) with molecular-dynamics (MD) simulations, are compared where possible with experimental data to characterize $\sigma_{\rm ic}, \sigma_{\rm ib}$ and $\sigma_{\rm uf}$. The NPA $\sigma_{\rm ib}$ are closest to the available experimental data when compared to results from DFT+MD, where simulations of about 64-125 atoms are typically used. The published conductivities for Li are reviewed and the value at a temperature of 4.5 eV is examined using supporting X-ray Thomson scattering calculations. A physical picture of the variations of $\sigma$ with temperature and density applicable to these materials is given. The insensitivity of $\sigma$ to $T_e$ below 10 eV for carbon, compared to Al and Li, is clarified.

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