Kubo–Greenwood approach to conductivity in dense plasmas with average atom models

Starrett, C. E.

doi:10.1016/j.hedp.2016.04.001

Title: Kubo–Greenwood approach to conductivity in dense plasmas with average atom models

Journal Article · Wed Apr 13 00:00:00 EDT 2016 · High Energy Density Physics

DOI:https://doi.org/10.1016/j.hedp.2016.04.001· OSTI ID:1256293

Starrett, C. E. ^[1]

Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

In this study, a new formulation of the Kubo–Greenwood conductivity for average atom models is given. The new formulation improves upon previous treatments by explicitly including the ionic-structure factor. Calculations based on this new expression lead to much improved agreement with ab initio results for DC conductivity of warm dense hydrogen and beryllium, and for thermal conductivity of hydrogen. We also give and test a slightly modified Ziman–Evans formula for the resistivity that includes a non-free electron density of states, thus removing an ambiguity in the original Ziman–Evans formula. Again, results based on this expression are in good agreement with ab initio simulations for warm dense beryllium and hydrogen. However, for both these expressions, calculations of the electrical conductivity of warm dense aluminum lead to poor agreement at low temperatures compared to ab initio simulations.

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Research Organization:: Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC52-06NA25396; 20150656ECR

OSTI ID:: 1256293

Alternate ID(s):: OSTI ID: 1357284

Report Number(s):: LA-UR-16-21926

Journal Information:: High Energy Density Physics, Vol. 19, Issue C; ISSN 1574-1818

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 16 works

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References (42)

On the transport coefficients of hydrogen in the inertial confinement fusion regime Lambert, Flavien; Recoules, Vanina; Decoster, Alain Physics of Plasmas, Vol. 18, Issue 5 https://doi.org/10.1063/1.3574902	journal	May 2011
First-principles thermal conductivity of warm-dense deuterium plasmas for inertial confinement fusion applications Hu, S. X.; Collins, L. A.; Boehly, T. R. Physical Review E, Vol. 89, Issue 4 https://doi.org/10.1103/PhysRevE.89.043105	journal	April 2014
Statistical-Mechanical Theory of Irreversible Processes. I. General Theory and Simple Applications to Magnetic and Conduction Problems Kubo, Ryogo Journal of the Physical Society of Japan, Vol. 12, Issue 6 https://doi.org/10.1143/JPSJ.12.570	journal	June 1957
The Boltzmann Equation in the Theory of Electrical Conduction in Metals Greenwood, D. A. Proceedings of the Physical Society, Vol. 71, Issue 4 https://doi.org/10.1088/0370-1328/71/4/306	journal	April 1958
Calculations of the thermal conductivity of National Ignition Facility target materials at temperatures near 10 eV and densities near 10 g/cc using finite-temperature quantum molecular dynamics Hanson, David E.; Collins, Lee A.; Kress, Joel D. Physics of Plasmas, Vol. 18, Issue 8 https://doi.org/10.1063/1.3619811	journal	August 2011
Electrical conductivity for warm, dense aluminum plasmas and liquids Desjarlais, M. P.; Kress, J. D.; Collins, L. A. Physical Review E, Vol. 66, Issue 2 https://doi.org/10.1103/PhysRevE.66.025401	journal	August 2002
Ionic and electronic transport properties in dense plasmas by orbital-free density functional theory Sjostrom, Travis; Daligault, Jérôme Physical Review E, Vol. 92, Issue 6 https://doi.org/10.1103/PhysRevE.92.063304	journal	December 2015
Equations of State of Elements Based on the Generalized Fermi-Thomas Theory Feynman, R. P.; Metropolis, N.; Teller, E. Physical Review, Vol. 75, Issue 10 https://doi.org/10.1103/PhysRev.75.1561	journal	May 1949
Self-consistent field model for condensed matter Liberman, David A. Physical Review B, Vol. 20, Issue 12 https://doi.org/10.1103/PhysRevB.20.4981	journal	December 1979
Variational-average-atom-in-quantum-plasmas (VAAQP) code and virial theorem: Equation-of-state and shock-Hugoniot calculations for warm dense Al, Fe, Cu, and Pb Piron, R.; Blenski, T. Physical Review E, Vol. 83, Issue 2 https://doi.org/10.1103/PhysRevE.83.026403	journal	February 2011
Purgatorio—a new implementation of the Inferno algorithm Wilson, B.; Sonnad, V.; Sterne, P. Journal of Quantitative Spectroscopy and Radiative Transfer, Vol. 99, Issue 1-3 https://doi.org/10.1016/j.jqsrt.2005.05.053	journal	May 2006
Equation of state, transport coefficients, and stopping power of dense plasmas from the average-atom model self-consistent approach for astrophysical and laboratory plasmas Faussurier, Gérald; Blancard, Christophe; Cossé, Philippe Physics of Plasmas, Vol. 17, Issue 5 https://doi.org/10.1063/1.3420276	journal	May 2010
Comparison of electron transport calculations in warm dense matter using the Ziman formula Burrill, D. J.; Feinblum, D. V.; Charest, M. R. J. High Energy Density Physics, Vol. 19 https://doi.org/10.1016/j.hedp.2016.01.004	journal	June 2016
Resistivity saturation in warm dense matter Faussurier, Gérald; Blancard, Christophe Physical Review E, Vol. 91, Issue 1 https://doi.org/10.1103/PhysRevE.91.013105	journal	January 2015
Equation of state, occupation probabilities and conductivities in the average atom Purgatorio code Sterne, P. A.; Hansen, S. B.; Wilson, B. G. High Energy Density Physics, Vol. 3, Issue 1-2 https://doi.org/10.1016/j.hedp.2007.02.037	journal	May 2007
Electrical resistivity of hot dense plasmas Perrot, François; Dharma-wardana, M. W. C. Physical Review A, Vol. 36, Issue 1 https://doi.org/10.1103/PhysRevA.36.238	journal	July 1987
Electrical Resistivity in Warm Dense Plasmas Beyond the Average-Atom Model Pain, J. C.; Dejonghe, G. Contributions to Plasma Physics, Vol. 50, Issue 1 https://doi.org/10.1002/ctpp.201010010	journal	January 2010
Static and dynamic conductivity of warm dense matter within a density-functional approach: Application to aluminum and gold Dharma-wardana, M. W. C. Physical Review E, Vol. 73, Issue 3 https://doi.org/10.1103/PhysRevE.73.036401	journal	March 2006
Electron scattering in hot/warm plasmas Rozsnyai, Balazs F. High Energy Density Physics, Vol. 4, Issue 1-2 https://doi.org/10.1016/j.hedp.2008.01.002	journal	April 2008
Quantum Molecular Dynamics calculations of radiative opacities Mazevet, S.; Collins, L. A.; Magee, N. H. Astronomy & Astrophysics, Vol. 405, Issue 1 https://doi.org/10.1051/0004-6361:20030759	journal	June 2003
Optical properties of plasmas based on an average-atom model Johnson, W. R.; Guet, C.; Bertsch, G. F. Journal of Quantitative Spectroscopy and Radiative Transfer, Vol. 99, Issue 1-3 https://doi.org/10.1016/j.jqsrt.2005.05.026	journal	May 2006
Low-frequency conductivity in the average-atom approximation Johnson, W. R. High Energy Density Physics, Vol. 5, Issue 1-2 https://doi.org/10.1016/j.hedp.2009.03.007	journal	June 2009
Average atom transport properties for pure and mixed species in the hot and warm dense matter regimes Starrett, C. E.; Clérouin, J.; Recoules, V. Physics of Plasmas, Vol. 19, Issue 10 https://doi.org/10.1063/1.4764937	journal	October 2012
Resistivity of a Simple Metal from Room Temperature to $10^{6}$ K Milchberg, H. M.; Freeman, R. R.; Davey, S. C. Physical Review Letters, Vol. 61, Issue 20 https://doi.org/10.1103/PhysRevLett.61.2364	journal	November 1988
Free-Electron X-Ray Laser Measurements of Collisional-Damped Plasmons in Isochorically Heated Warm Dense Matter Sperling, P.; Gamboa, E. J.; Lee, H. J. Physical Review Letters, Vol. 115, Issue 11 https://doi.org/10.1103/PhysRevLett.115.115001	journal	September 2015
Pseudoatom molecular dynamics Starrett, C. E.; Daligault, J.; Saumon, D. Physical Review E, Vol. 91, Issue 1 https://doi.org/10.1103/PhysRevE.91.013104	journal	January 2015
Electronic transport coefficients from ab initio simulations and application to dense liquid hydrogen Holst, Bastian; French, Martin; Redmer, Ronald Physical Review B, Vol. 83, Issue 23 https://doi.org/10.1103/PhysRevB.83.235120	journal	June 2011
Conductivity of warm dense matter including electron-electron collisions Reinholz, H.; Röpke, G.; Rosmej, S. Physical Review E, Vol. 91, Issue 4 https://doi.org/10.1103/PhysRevE.91.043105	journal	April 2015
Thermodynamic and transport properties of dense hydrogen plasmas Reinholz, Heidi; Redmer, Ronald; Nagel, Stefan Physical Review E, Vol. 52, Issue 5 https://doi.org/10.1103/PhysRevE.52.5368	journal	November 1995
Electrical and thermal conductivities in dense plasmas Faussurier, G.; Blancard, C.; Combis, P. Physics of Plasmas, Vol. 21, Issue 9 https://doi.org/10.1063/1.4895509	journal	September 2014
Asymptotic regimes for the electrical and thermal conductivities in dense plasmas Faussurier, G.; Blancard, C. Physics of Plasmas, Vol. 22, Issue 4 https://doi.org/10.1063/1.4916775	journal	April 2015
A theory of the electrical properties of liquid metals. I: The monovalent metals Ziman, J. M. Philosophical Magazine, Vol. 6, Issue 68 https://doi.org/10.1080/14786436108243361	journal	August 1961
A simple method for determining the ionic structure of warm dense matter Starrett, C. E.; Saumon, D. High Energy Density Physics, Vol. 10 https://doi.org/10.1016/j.hedp.2013.12.001	journal	March 2014
Ionic Transport Coefficients of Dense Plasmas without Molecular Dynamics Daligault, Jérôme; Baalrud, Scott D.; Starrett, Charles E. Physical Review Letters, Vol. 116, Issue 7 https://doi.org/10.1103/PhysRevLett.116.075002	journal	February 2016
Electrical conductivity of finite metallic systems: Disorder Dulca, Lucian; Banhart, John; Czycholl, Gerd Physical Review B, Vol. 61, Issue 24 https://doi.org/10.1103/PhysRevB.61.16502	journal	June 2000
A Green's function quantum average atom model Starrett, C. E. High Energy Density Physics, Vol. 16 https://doi.org/10.1016/j.hedp.2015.05.001	journal	September 2015
Note on Exchange Phenomena in the Thomas Atom Dirac, P. A. M. Mathematical Proceedings of the Cambridge Philosophical Society, Vol. 26, Issue 3 https://doi.org/10.1017/s0305004100016108	journal	July 1930
Relativistic Hartree-Fock-Slater Calculations for Arbitrary Temperature and Matter Density Rozsnyai, Balazs F. Physical Review A, Vol. 5, Issue 3 https://doi.org/10.1103/physreva.5.1137	journal	March 1972
Low-frequency plasma conductivity in the average-atom approximation Kuchiev, M. Yu.; Johnson, W. R. Physical Review E, Vol. 78, Issue 2 https://doi.org/10.1103/physreve.78.026401	journal	August 2008
Electronic and ionic structures of warm and hot dense matter Starrett, C. E.; Saumon, D. Physical Review E, Vol. 87, Issue 1 https://doi.org/10.1103/physreve.87.013104	journal	January 2013
Accurate Homogeneous Electron Gas Exchange-Correlation Free Energy for Local Spin-Density Calculations Karasiev, Valentin V.; Sjostrom, Travis; Dufty, James Physical Review Letters, Vol. 112, Issue 7 https://doi.org/10.1103/physrevlett.112.076403	journal	February 2014
Electron conduction along quantizing magnetic fields in neutron star crusts. II. Practical formulae Potekhin, A. Y.; Yakovlev, D. G. arXiv https://doi.org/10.48550/arxiv.astro-ph/9604130	text	January 1996

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