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

Zhang, Shuai and Karasiev, Valentin V. and Shaffer, Nathaniel and Mihaylov, Deyan I. and Nichols, Katarina and Paul, Reetam and Goshadze, R. M. N. and Ghosh, Maitrayee and Hinz, Joshua and Epstein, Reuben and Goedecker, Stefan and Hu, S. X.. (2022) First-principles equation of state of CHON resin for inertial confinement fusion applications. Physical review E, 106 (4). 045207.

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Official URL: https://edoc.unibas.ch/92224/

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A wide-range (0 to 1044.0 g/cm3 and 0 to 109 K) equation-of-state (EOS) table for a CH1.72O0.37N0.086 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. The simulations show CHON outperforms CH as the ablator for laser-direct-drive target designs.
Faculties and Departments:05 Faculty of Science > Departement Physik > Physik > Physik (Goedecker)
UniBasel Contributors:Goedecker, Stefan
Item Type:Article, refereed
Article Subtype:Research Article
Publisher:American Physical Society
Note:Publication type according to Uni Basel Research Database: Journal article
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Last Modified:08 Feb 2023 07:20
Deposited On:08 Feb 2023 07:20

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