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Title: A review on ab initio studies of static, transport, and optical properties of polystyrene under extreme conditions for inertial confinement fusion applications

Polystyrene (CH), commonly known as “plastic,” has been one of the widely used ablator materials for capsule designs in inertial confinement fusion (ICF). Knowing its precise properties under high-energy-density conditions is crucial to understanding and designing ICF implosions through radiation–hydrodynamic simulations. For this purpose, systematic ab initio studies on the static, transport, and optical properties of CH, in a wide range of density and temperature conditions (ρ= 0.1 to 100 g/cm 3 and T = 10 3 to 4 × 10 6K), have been conducted using quantum molecular dynamics (QMD) simulations based on the density functional theory. We have built several wide-ranging, self-consistent material-properties tables for CH, such as the first-principles equation of state (FPEOS), the QMD-based thermal conductivity (Κ QMD) and ionization, and the first-principles opacity table (FPOT). This paper is devoted to providing a review on (1) what results were obtained from these systematic ab initio studies; (2) how these self-consistent results were compared with both traditional plasma-physics models and available experiments; and (3) how these first-principles–based properties of polystyrene affect the predictions of ICF target performance, through both 1-D and 2-D radiation–hydrodynamic simulations. In the warm dense regime, our ab initio results, which can significantly differ frommore » predictions of traditional plasma-physics models, compared favorably with experiments. When incorporated into hydrocodes for ICF simulations, these first-principles material properties of CH have produced significant differences over traditional models in predicting 1-D/2-D target performance of ICF implosions on OMEGA and direct-drive–ignition designs for the National Ignition Facility. Lastly, we will discuss the implications of these studies on the current small-margin ICF target designs using a CH ablator.« less
Authors:
 [1] ;  [2] ;  [2] ;  [2] ;  [2] ; ORCiD logo [2] ;  [2] ;  [2] ; ORCiD logo [2] ;  [2]
  1. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  2. Univ. of Rochester, Rochester, NY (United States)
Publication Date:
Report Number(s):
2017-107, 1395; LA-UR-17-30935
Journal ID: ISSN 1070-664X; 2017-107, 1395, 2353
Grant/Contract Number:
NA0001944; AC52-06NA25396
Type:
Accepted Manuscript
Journal Name:
Physics of Plasmas
Additional Journal Information:
Journal Volume: 25; Journal Issue: 5; Conference: 59th Annual Meeting of the APS Division of Plasma Physics, Milwaukee, WI (United States), 23-27 Oct 2017; Journal ID: ISSN 1070-664X
Publisher:
American Institute of Physics (AIP)
Research Org:
Univ. of Rochester, Rochester, NY (United States). Lab. for Laser Energetics; Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Org:
USDOE National Nuclear Security Administration (NNSA)
Country of Publication:
United States
Language:
English
Subject:
70 PLASMA PHYSICS AND FUSION TECHNOLOGY
OSTI Identifier:
1434644
Alternate Identifier(s):
OSTI ID: 1440479

Collins, L. A., Boehly, T. R., Ding, Y. H., Radha, P. B., Goncharov, V. N., Karasiev, V. V., Collins, G. W., Regan, S. P., Campbell, E. M., and Hu, S. X.. A review on ab initio studies of static, transport, and optical properties of polystyrene under extreme conditions for inertial confinement fusion applications. United States: N. p., Web. doi:10.1063/1.5017970.
Collins, L. A., Boehly, T. R., Ding, Y. H., Radha, P. B., Goncharov, V. N., Karasiev, V. V., Collins, G. W., Regan, S. P., Campbell, E. M., & Hu, S. X.. A review on ab initio studies of static, transport, and optical properties of polystyrene under extreme conditions for inertial confinement fusion applications. United States. doi:10.1063/1.5017970.
Collins, L. A., Boehly, T. R., Ding, Y. H., Radha, P. B., Goncharov, V. N., Karasiev, V. V., Collins, G. W., Regan, S. P., Campbell, E. M., and Hu, S. X.. 2018. "A review on ab initio studies of static, transport, and optical properties of polystyrene under extreme conditions for inertial confinement fusion applications". United States. doi:10.1063/1.5017970.
@article{osti_1434644,
title = {A review on ab initio studies of static, transport, and optical properties of polystyrene under extreme conditions for inertial confinement fusion applications},
author = {Collins, L. A. and Boehly, T. R. and Ding, Y. H. and Radha, P. B. and Goncharov, V. N. and Karasiev, V. V. and Collins, G. W. and Regan, S. P. and Campbell, E. M. and Hu, S. X.},
abstractNote = {Polystyrene (CH), commonly known as “plastic,” has been one of the widely used ablator materials for capsule designs in inertial confinement fusion (ICF). Knowing its precise properties under high-energy-density conditions is crucial to understanding and designing ICF implosions through radiation–hydrodynamic simulations. For this purpose, systematic ab initio studies on the static, transport, and optical properties of CH, in a wide range of density and temperature conditions (ρ= 0.1 to 100 g/cm3 and T = 103 to 4 × 106K), have been conducted using quantum molecular dynamics (QMD) simulations based on the density functional theory. We have built several wide-ranging, self-consistent material-properties tables for CH, such as the first-principles equation of state (FPEOS), the QMD-based thermal conductivity (ΚQMD) and ionization, and the first-principles opacity table (FPOT). This paper is devoted to providing a review on (1) what results were obtained from these systematic ab initio studies; (2) how these self-consistent results were compared with both traditional plasma-physics models and available experiments; and (3) how these first-principles–based properties of polystyrene affect the predictions of ICF target performance, through both 1-D and 2-D radiation–hydrodynamic simulations. In the warm dense regime, our ab initio results, which can significantly differ from predictions of traditional plasma-physics models, compared favorably with experiments. When incorporated into hydrocodes for ICF simulations, these first-principles material properties of CH have produced significant differences over traditional models in predicting 1-D/2-D target performance of ICF implosions on OMEGA and direct-drive–ignition designs for the National Ignition Facility. Lastly, we will discuss the implications of these studies on the current small-margin ICF target designs using a CH ablator.},
doi = {10.1063/1.5017970},
journal = {Physics of Plasmas},
number = 5,
volume = 25,
place = {United States},
year = {2018},
month = {3}
}

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