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• W2335475806 abstract "Computations of the self-diffusion coefficient and viscosity in warm dense matter are presented with an emphasis on obtaining numerical convergence and a careful evaluation of the standard deviation. The transport coefficients are computed with the Green-Kubo relation and orbital-free molecular dynamics at the Thomas-Fermi-Dirac level. The numerical parameters are varied until the Green-Kubo integral is equal to a constant in the $tensuremath{rightarrow}+ensuremath{infty}$ limit; the transport coefficients are deduced from this constant and not by extrapolation of the Green-Kubo integral. The latter method, which gives rise to an unknown error, is tested for the computation of viscosity; it appears that it should be used with caution. In the large domain of coupling constant considered, both the self-diffusion coefficient and viscosity turn out to be well approximated by simple analytical laws using a single effective atomic number calculated in the average-atom model." @default.
• W2335475806 created "2016-06-24" @default.
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• W2335475806 date "2012-06-04" @default.
• W2335475806 modified "2023-09-25" @default.
• W2335475806 title "Numerical convergence of the self-diffusion coefficient and viscosity obtained with Thomas-Fermi-Dirac molecular dynamics" @default.
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• W2335475806 doi "https://doi.org/10.1103/physreve.85.066701" @default.
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