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DOE OSTI · 2567729

Review of the second charged-particle transport coefficient code comparison workshop

Stanek, Lucas J. (ORCID:0000000194713324)·Kononov, Alina (ORCID:000000026600224X)·Hansen, Stephanie B. (ORCID:0000000218869770)·Haines, Brian M. (ORCID:0000000238897074)·Hu, S. X. (ORCID:0000000324653818)·Knapp, Patrick F. (ORCID:0000000230098673)·Murillo, Michael S. (ORCID:000000024365929X)·Stanton, Liam G. (ORCID:0000000184136682)·Whitley, Heather D. (ORCID:0000000223448698)·Baalrud, Scott D. (ORCID:0000000196412605)·Babati, Lucas J. (ORCID:0000000328572425)·Baczewski, Andrew D. (ORCID:0000000185539934)·Bethkenhagen, Mandy (ORCID:0000000218382129)·Blanchet, Augustin (ORCID:0000000261933635)·Clay, III, Raymond C. (ORCID:0000000340165363)·Cochrane, Kyle R. (ORCID:0000000178396357)·Collins, Lee A. (ORCID:0000000281809367)·Dumi, Amanda (ORCID:0000000226938537)·Faussurier, Gerald (ORCID:000000022395040X)·French, Martin (ORCID:0000000180509816)·Johnson, Zachary A. (ORCID:0000000244552021)·Karasiev, Valentin V. (ORCID:0000000334456797)·Kumar, Shashikant (ORCID:0009000151341580)·Lentz, Meghan K. (ORCID:0000000272799347)·Melton, Cody A. (ORCID:000000018224089X)·Nichols, Katarina A. (ORCID:0009000379003991)·Petrov, George M. (ORCID:0000000290733659)·Recoules, Vanina (ORCID:0000000279457964)·Redmer, Ronald (ORCID:000000033440863X)·Röpke, Gerd (ORCID:0000000193195959)·Schörner, Maximilian (ORCID:0000000179258917)·Shaffer, Nathaniel R. (ORCID:0000000207100026)·Sharma, Vidushi (ORCID:0000000241634830)·Silvestri, Luciano G. (ORCID:0000000335307910)·Soubiran, François (ORCID:0000000209825178)·Suryanarayana, Phanish (ORCID:0000000151720049)·Tacu, Mikael (ORCID:0000000318261826)·Townsend, Joshua P. (ORCID:0000000211373924)·White, Alexander J. (ORCID:0000000277713899)
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Abstract

We report the results of the second charged-particle transport coefficient code comparison workshop, which was held in Livermore, California on 24–27 July 2023. This workshop gathered theoretical, computational, and experimental scientists to assess the state of computational and experimental techniques for understanding charged-particle transport coefficients relevant to high-energy-density plasma science. Data for electronic and ionic transport coefficients, namely, the direct current electrical conductivity, electron thermal conductivity, ion shear viscosity, and ion thermal conductivity were computed and compared for multiple plasma conditions. Additional comparisons were carried out for electron–ion properties such as the electron–ion equilibration time and alpha particle stopping power. Overall, 39 participants submitted calculated results from 18 independent approaches, spanning methods from parameterized semi-empirical models to time-dependent density functional theory. In the cases studied here, we find significant differences—several orders of magnitude—between approaches, particularly at lower temperatures, and smaller differences—roughly a factor of five—among first-principles models. We investigate the origins of these differences through comparisons of underlying predictions of ionic and electronic structure. The results of this workshop help to identify plasma conditions where computationally inexpensive approaches are accurate, where computationally expensive models are required, and where experimental measurements will have high impact.

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71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICSKohn-Sham density functional theoryelectrical conductivityelectronic transportmolecular dynamicsplasma transport propertiesstopping powerthermal conductivitythermal diffusivitytime dependent density functional theoryviscosity

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Stanek, Lucas J. (ORCID:0000000194713324), Kononov, Alina (ORCID:000000026600224X), Hansen, Stephanie B. (ORCID:0000000218869770), Haines, Brian M. (ORCID:0000000238897074), Hu, S. X. (ORCID:0000000324653818), Knapp, Patrick F. (ORCID:0000000230098673), Murillo, Michael S. (ORCID:000000024365929X), Stanton, Liam G. (ORCID:0000000184136682), Whitley, Heather D. (ORCID:0000000223448698), Baalrud, Scott D. (ORCID:0000000196412605), Babati, Lucas J. (ORCID:0000000328572425), Baczewski, Andrew D. (ORCID:0000000185539934), Bethkenhagen, Mandy (ORCID:0000000218382129), Blanchet, Augustin (ORCID:0000000261933635), Clay, III, Raymond C. (ORCID:0000000340165363), Cochrane, Kyle R. (ORCID:0000000178396357), Collins, Lee A. (ORCID:0000000281809367), Dumi, Amanda (ORCID:0000000226938537), Faussurier, Gerald (ORCID:000000022395040X), French, Martin (ORCID:0000000180509816), Johnson, Zachary A. (ORCID:0000000244552021), Karasiev, Valentin V. (ORCID:0000000334456797), Kumar, Shashikant (ORCID:0009000151341580), Lentz, Meghan K. (ORCID:0000000272799347), Melton, Cody A. (ORCID:000000018224089X), Nichols, Katarina A. (ORCID:0009000379003991), Petrov, George M. (ORCID:0000000290733659), Recoules, Vanina (ORCID:0000000279457964), Redmer, Ronald (ORCID:000000033440863X), Röpke, Gerd (ORCID:0000000193195959), Schörner, Maximilian (ORCID:0000000179258917), Shaffer, Nathaniel R. (ORCID:0000000207100026), Sharma, Vidushi (ORCID:0000000241634830), Silvestri, Luciano G. (ORCID:0000000335307910), Soubiran, François (ORCID:0000000209825178), Suryanarayana, Phanish (ORCID:0000000151720049), Tacu, Mikael (ORCID:0000000318261826), Townsend, Joshua P. (ORCID:0000000211373924), White, Alexander J. (ORCID:0000000277713899). 2024-05-02. Review of the second charged-particle transport coefficient code comparison workshop. https://doi.org/10.1063/5.0198155

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