First-principles equation of state of CHON resin for inertial confinement fusion applications

Zhang, Shuai; Karasiev, Valentin V.; Shaffer, Nathaniel; Mihaylov, Deyan I.; Nichols, Katarina; Paul, Reetam; Goshadze, R. M. N.; Ghosh, Maitrayee; Hinz, Joshua; Epstein, Reuben; Goedecker, Stefan; Hu, S. X.

doi:10.1103/physreve.106.045207

Title: First-principles equation of state of CHON resin for inertial confinement fusion applications

Journal Article · Thu Oct 20 00:00:00 EDT 2022 · Physical Review. E

DOI:https://doi.org/10.1103/physreve.106.045207· OSTI ID:1897103

^[1]; Karasiev, Valentin V. ^[1];

^[1];

^[1]; Nichols, Katarina ^[1]; Paul, Reetam ^[1]; Goshadze, R. M. N. ^[1];

^[1]; Hinz, Joshua ^[1];

^[1]; Goedecker, Stefan ^[2];

^[1]

Univ. of Rochester, NY (United States)
Univ. of Basel (Switzerland)

A wide-range (0 to 1044.0 g/ cm³ and 0 to 10⁹ K) equation-of-state (EOS) table for a CH_1.72O_0.37N_0.086 quaternary compound has been constructed based on density-functional theory (DFT) molecular-dynamics (MD) calculations using a combination of Kohn-Sham DFT MD, orbital-free DFT MD, and numerical extrapolation. The first-principles EOS data are compared with predictions of simple models, including the fully ionized ideal gas and the Fermi-degenerate electron gas models, to chart their temperature-density conditions of applicability. The shock Hugoniot, thermodynamic properties, and bulk sound velocities are predicted based on the EOS table and compared to those of C-H compounds. The Hugoniot results show the maximum compression ratio of the C-H-O-N resin is larger than that of CH polystyrene due to the existence of oxygen and nitrogen; while the other properties are similar between CHON and CH. Radiation hydrodynamic simulations have been performed using the table for inertial confinement fusion targets with a CHON ablator and compared with a similar design with CH. Here, the simulations show CHON outperforms CH as the ablator for laser-direct-drive target designs.

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

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: NA0003856

OSTI ID:: 1897103

Journal Information:: Physical Review. E, Vol. 106, Issue 4; ISSN 2470-0045

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Direct drive
Equations of state
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Title: First-principles equation of state of CHON resin for inertial confinement fusion applications

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