Indirect evidence for elemental hydrogen in laser-compressed hydrocarbons

Kraus, D.; Vorberger, Jan; Hartley, N. J.; Lütgert, J.; Rödel, Melanie; Chekrygina, D.; Döppner, T.; Driel, Tim van; Falcone, R. W.; Fletcher, L. B.; Frydrych, S.; Galtier, Eric; Gericke, D. O.; Glenzer, S. H.; Inubushi, Yuichi; Kamimura, N.; Katagiri, Kento; Mackinnon, A. J.; T., Matsuoka,; Miyanishi, Kohei; McBride, E. E.; Nam, Inhyuk; Neumayer, P.; Ozaki, Norimasa; Pak, A.; Ravasio, A.; Saunders, Alison M; Schuster, A. K.; Stevenson, M.G.; Sueda, Keiichi; Sun, Peihao; Togashi, Tadashi; Voigt, K.; Yabashi, Makina; Yabuuchi, T.

doi:10.1103/physrevresearch.5.l022023

Cited by 5 publications

(1 citation statement)

References 45 publications

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“…3,13 As a consequence, the properties of HED hydrogen are routinely probed in experiments at large research facilities such as the National Ignition Facility (NIF), 14,15 the Omega Laser Facility, 16 and the Linac coherent light source (LCLS). 17 Yet, the extreme conditions make the rigorous diagnostics of such experiments challenging. Therefore, our understanding of the physical and chemical processes at HED parameters heavily relies on simulations.…”

Section: Introductionmentioning

confidence: 99%

Bound-State Breaking and the Importance of Thermal Exchange–Correlation Effects in Warm Dense Hydrogen

Moldabekov,

Schwalbe,

Böhme

et al. 2023

J. Chem. Theory Comput.

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Hydrogen at extreme temperatures and pressures is of key relevance for cutting-edge technological applications, with inertial confinement fusion research being a prime example. In addition, it is ubiquitous throughout our universe and naturally occurs in a variety of astrophysical objects. In the present work, we present exact ab initio path integral Monte Carlo (PIMC) results for the electronic density of warm dense hydrogen along a line of constant degeneracy across a broad range of densities. Using the well-known concept of reduced density gradients, we develop a new framework to identify the breaking of bound states due to pressure ionization in bulk hydrogen. Moreover, we use our PIMC results as a reference to rigorously assess the accuracy of a variety of exchange−correlation (XC) functionals in density functional theory calculations for different density regions. Here, a key finding is the importance of thermal XC effects for the accurate description of density gradients in high-energy-density systems. Our exact PIMC test set is freely available online and can be used to guide the development of new methodologies for the simulation of warm dense matter and beyond.

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Section: Introductionmentioning

confidence: 99%

Bound-State Breaking and the Importance of Thermal Exchange–Correlation Effects in Warm Dense Hydrogen

Moldabekov,

Schwalbe,

Böhme

et al. 2023

J. Chem. Theory Comput.

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Diamond precipitation dynamics from hydrocarbons at icy planet interior conditions

Frost,

McWilliams,

Bykova

et al. 2024

Nat Astron

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Toward using collective x-ray Thomson scattering to study C–H demixing and hydrogen metallization in warm dense matter conditions

et al. 2023

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The insulator–metal transition in liquid hydrogen is an important phenomenon to understand the interiors of gas giants, such as Jupiter and Saturn, as well as the physical and chemical behavior of materials at high pressures and temperatures. Here, the path toward an experimental approach is detailed based on spectrally resolved x-ray scattering, tailored to observe and characterize hydrogen metallization in dynamically compressed hydrocarbons in the regime of carbon–hydrogen phase separation. With the help of time-dependent density functional theory calculations and scattering spectra from undriven carbon samples collected at the European x-ray Free-Electron Laser Facility (EuXFEL), we demonstrate sufficient data quality for observing C–H demixing and investigating the presence of liquid metallic hydrogen in future experiments using the reprated drive laser systems at EuXFEL.

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Indirect evidence for elemental hydrogen in laser-compressed hydrocarbons

Cited by 5 publications

References 45 publications

Bound-State Breaking and the Importance of Thermal Exchange–Correlation Effects in Warm Dense Hydrogen

Bound-State Breaking and the Importance of Thermal Exchange–Correlation Effects in Warm Dense Hydrogen

Diamond precipitation dynamics from hydrocarbons at icy planet interior conditions

Toward using collective x-ray Thomson scattering to study C–H demixing and hydrogen metallization in warm dense matter conditions

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