First-principles equation-of-state table of beryllium based on density-functional theory calculations

Ding, Y. H.; Hu, S. X.

doi:10.1063/1.4984780

Title: First-principles equation-of-state table of beryllium based on density-functional theory calculations

Journal Article · Tue Jun 06 00:00:00 EDT 2017 · Physics of Plasmas

DOI:https://doi.org/10.1063/1.4984780· OSTI ID:1361691

Ding, Y. H. ^[1]; Hu, S. X. ^[2]

Univ. of Rochester, NY (United States). Lab. for Laser Energetics. Dept. of Mechanical Engineering
Univ. of Rochester, NY (United States). Lab. for Laser Energetics

Beryllium has been considered a superior ablator material for inertial confinement fusion (ICF) target designs. An accurate equation-of-state (EOS) of beryllium under extreme conditions is essential for reliable ICF designs. Based on density-functional theory (DFT) calculations, we have established a wide-range beryllium EOS table of density ρ = 0.001 to 500 g/cm³ and temperature T = 2000 to 10⁸ K. Our first-principle equation-of-state (FPEOS) table is in better agreement with the widely used SESAME EOS table (SESAME 2023) than the average-atom INFERNO and Purgatorio models. For the principal Hugoniot, our FPEOS prediction shows ~10% stiffer than the last two models in the maximum compression. Although the existing experimental data (only up to 17 Mbar) cannot distinguish these EOS models, we anticipate that high-pressure experiments at the maximum compression region should differentiate our FPEOS from INFERNO and Purgatorio models. Comparisons between FPEOS and SESAME EOS for off-Hugoniot conditions show that the differences in the pressure and internal energy are within ~20%. By implementing the FPEOS table into the 1-D radiation–hydrodynamic code LILAC, we studied in this paper the EOS effects on beryllium-shell–target implosions. Finally, the FPEOS simulation predicts higher neutron yield (~15%) compared to the simulation using the SESAME 2023 EOS table.

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Research Organization:: Univ. of Rochester, NY (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA); Univ. of Rochester (United States); New York State Energy Research and Development Authority (United States)

Grant/Contract Number:: NA0001944

OSTI ID:: 1361691

Journal Information:: Physics of Plasmas, Vol. 24, Issue 6; ISSN 1070-664X

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 18 works

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