Firstprinciples investigations on ionization and thermal conductivity of polystyrene for inertial confinement fusion applications
Using quantum moleculardynamics (QMD) methods based on the density functional theory, we have performed firstprinciples investigations on the ionization and thermal conductivity of polystyrene (CH) over a wide range of plasma conditions (ρ = 0.5 to 100 g/cm ^{3} and T = 15,625 to 500,000 K). The ionization data from orbitalfree moleculardynamics calculations have been fitted with a “Sahatype” model as a function of the CH plasma density and temperature, which exhibits the correct behaviors of continuum lowering and pressure ionization. The thermal conductivities (κ _{QMD}) of CH, derived directly from the Kohn–Sham moleculardynamics calculations, are then analytically fitted with a generalized Coulomb logarithm [(lnΛ) _{QMD}] over a wide range of plasma conditions. When compared with the traditional ionization and thermal conductivity models used in radiation–hydrodynamics codes for inertial confinement fusion simulations, the QMD results show a large difference in the lowtemperature regime in which strong coupling and electron degeneracy play an essential role in determining plasma properties. Furthermore, hydrodynamic simulations of cryogenic deuterium–tritium targets with CH ablators on OMEGA and the National Ignition Facility using the QMDderived ionization and thermal conductivity of CH have predicted –20% variation in target performance in terms of hotspot pressure and neutron yield (gain)more »
 Authors:

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 Univ. of Rochester, Rochester, NY (United States)
 Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
 Publication Date:
 Report Number(s):
 LAUR1529300
Journal ID: ISSN 1070664X; 2015199; TIC1269
 Grant/Contract Number:
 NA0001944; AC5206NA25396
 Type:
 Accepted Manuscript
 Journal Name:
 Physics of Plasmas
 Additional Journal Information:
 Journal Volume: 23; Journal Issue: 4; Journal ID: ISSN 1070664X
 Publisher:
 American Institute of Physics (AIP)
 Research Org:
 Univ. of Rochester, Rochester, NY (United States); Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
 Sponsoring Org:
 USDOE
 Country of Publication:
 United States
 Language:
 English
 Subject:
 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; inertial confinement; plasma ionization; ionization; plasma temperature; thermal conductivity
 OSTI Identifier:
 1255551
 Alternate Identifier(s):
 OSTI ID: 1247602; OSTI ID: 1408831
Hu, S. X., Collins, Lee A., Goncharov, V. N., Kress, Joel David, McCrory, R. L., and Skupsky, S.. Firstprinciples investigations on ionization and thermal conductivity of polystyrene for inertial confinement fusion applications. United States: N. p.,
Web. doi:10.1063/1.4945753.
Hu, S. X., Collins, Lee A., Goncharov, V. N., Kress, Joel David, McCrory, R. L., & Skupsky, S.. Firstprinciples investigations on ionization and thermal conductivity of polystyrene for inertial confinement fusion applications. United States. doi:10.1063/1.4945753.
Hu, S. X., Collins, Lee A., Goncharov, V. N., Kress, Joel David, McCrory, R. L., and Skupsky, S.. 2016.
"Firstprinciples investigations on ionization and thermal conductivity of polystyrene for inertial confinement fusion applications". United States.
doi:10.1063/1.4945753. https://www.osti.gov/servlets/purl/1255551.
@article{osti_1255551,
title = {Firstprinciples investigations on ionization and thermal conductivity of polystyrene for inertial confinement fusion applications},
author = {Hu, S. X. and Collins, Lee A. and Goncharov, V. N. and Kress, Joel David and McCrory, R. L. and Skupsky, S.},
abstractNote = {Using quantum moleculardynamics (QMD) methods based on the density functional theory, we have performed firstprinciples investigations on the ionization and thermal conductivity of polystyrene (CH) over a wide range of plasma conditions (ρ = 0.5 to 100 g/cm3 and T = 15,625 to 500,000 K). The ionization data from orbitalfree moleculardynamics calculations have been fitted with a “Sahatype” model as a function of the CH plasma density and temperature, which exhibits the correct behaviors of continuum lowering and pressure ionization. The thermal conductivities (κQMD) of CH, derived directly from the Kohn–Sham moleculardynamics calculations, are then analytically fitted with a generalized Coulomb logarithm [(lnΛ)QMD] over a wide range of plasma conditions. When compared with the traditional ionization and thermal conductivity models used in radiation–hydrodynamics codes for inertial confinement fusion simulations, the QMD results show a large difference in the lowtemperature regime in which strong coupling and electron degeneracy play an essential role in determining plasma properties. Furthermore, hydrodynamic simulations of cryogenic deuterium–tritium targets with CH ablators on OMEGA and the National Ignition Facility using the QMDderived ionization and thermal conductivity of CH have predicted –20% variation in target performance in terms of hotspot pressure and neutron yield (gain) with respect to traditional model simulations.},
doi = {10.1063/1.4945753},
journal = {Physics of Plasmas},
number = 4,
volume = 23,
place = {United States},
year = {2016},
month = {4}
}
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