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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 181 records · Page 10

First-principles study of L -shell iron and chromium opacity at stellar interior temperatures

Recently developed free-energy density functional theory (DFT)-based methodology for optical property calculations of warm dense matter has been applied for studying L-shell opacity of iron and chromium at T = 182 eV. We use Mermin–Kohn–Sham density functional theory with a ground-state and a fully temperature-dependent generalized gradient approximation exchange-correlation (XC) functionals. It is demonstrated that the role of XC at such a high-T is negligible due to the total free-energy of interacting system being dominated by the noninteracting free-energy term in agreement with estimations for the homogeneous electron gas. Furthermore, our DFT predictions are compared to the radiative emissivity and opacity of dense plasmas model, to the real-space Greens function method, and to experimental measurements. Good agreement is found between all three theoretical methods, and in the bound–continuum region for Cr when compared to the experiment, while the discrepancy between direct DFT calculations and the experiment for Fe remains essentially the same as for plasma-physics models.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Resonant inelastic x-ray scattering in warm-dense Fe compounds beyond the SASE FEL resolution limit

Resonant inelastic x-ray scattering (RIXS) is a widely used spectroscopic technique, providing access to the electronic structure and dynamics of atoms, molecules, and solids. However, RIXS requires a narrow bandwidth x-ray probe to achieve high spectral resolution. The challenges in delivering an energetic monochromated beam from an x-ray free electron laser (XFEL) thus limit its use in few-shot experiments, including for the study of high energy density systems. Here we demonstrate that by correlating the measurements of the self-amplified spontaneous emission (SASE) spectrum of an XFEL with the RIXS signal, using a dynamic kernel deconvolution with a neural surrogate, we can achieve electronic structure resolutions substantially higher than those normally afforded by the bandwidth of the incoming x-ray beam. We further show how this technique allows us to discriminate between the valence structures of Fe and Fe2O3, and provides access to temperature measurements as well as M-shell binding energies estimates in warm-dense Fe compounds.

74 ATOMIC AND MOLECULAR PHYSICS↗

Chemical looping based ammonia production - A promising pathway for production of the noncarbon fuel

Ammonia, primarily made with Haber–Bosch process developed in 1909 and winning two Nobel prizes, is a promising noncarbon fuel for preventing global warming of 1.5 °C above pre-industrial levels. However, the undesired characteristics of the process, including high carbon footprint, necessitate alternative ammonia synthesis methods, and among them is chemical looping ammonia production (CLAP) that uses nitrogen carrier materials and operates at atmospheric pressure with high product selectivity and energy efficiency. To date, neither a systematic review nor a perspective in nitrogen carriers and CLAP has been reported in the critical area. So, this work not only assesses the previous results of CLAP but also provides perspectives towards the future of CLAP. It classifies, characterizes, and holistically analyzes the fundamentally different CLAP pathways and discusses the ways of further improving the CLAP performance with the assistance of plasma technology and artificial intelligence (AI).

30 DIRECT ENERGY CONVERSION↗

Electrostatic Relativistic Fluid Models of Electron Emission in a Warm Diode

A semi-analytic fluid model has been developed for characterizing relativistic electron emission across a warm diode gap. Here we demonstrate the use of this model in (i) verifying multi-fluid codes in modeling compressible relativistic electron flows (the EMPIRE-Fluid code is used as an example; see also Ref. 1), (ii) elucidating key physics mechanisms characterizing the influence of compressibility and relativistic injection speed of the electron flow, and (iii) characterizing the regimes over which a fluid model recovers physically reasonable solutions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Mixed stochastic-deterministic density functional theoretic decomposition of Kubo–Greenwood conductivities in the projector augmented wave formalism

Pairing the accuracy of the Kohn–Sham density-functional framework with the efficiency of a stochastic algorithmic approach, mixed stochastic-deterministic density functional theory (mDFT) achieves a favorable computational scaling with system sizes and electronic temperatures. We employ the recently developed mDFT formalism to investigate the dynamic charge-transport properties of systems in the warm dense matter regime. The optical conductivity spectra are computed for single- and multi- component mixtures of carbon, hydrogen, and beryllium using two complementary approaches: Kubo–Greenwood in the mDFT picture and real-time time-dependent mDFT. We further devise a decomposition of the Onsager coefficients leading up to the Kubo–Greenwood spectra to exhibit contributions from the deterministic, stochastic, and mixed electronic state transitions at different incident photon energies.

36 MATERIALS SCIENCE↗

Development of a Platform at the Matter in Extreme Conditions End Station for Characterization of Matter Heated by Intense Laser-Accelerated Protons

High intensity short-pulse lasers have made possible the generation of energetic proton beams, unlocking numerous applications in high energy density science. One such application is uniform and isochoric heating of materials to the warm dense matter (WDM) state. We have developed a new experimental platform to simultaneously create and probe warm dense matter at the Matter in Extreme Conditions (MEC) end station at the Linac Coherent Light Source (LCLS). The short pulse optical laser (delivering up to 1 J in 45 fs) and the ultra-bright LCLS x-ray laser with tunable frequency respectively deliver high power required to heat materials to WDM and precision-timed high-resolution x-rays to probe them. The laser-accelerated proton beam driven from a flat 1.5 μm Cu foil was first measured then directed to a secondary sample of Al or polypropylene, typically 300-400 μm away. The time evolution of the sample electron temperature was measured using streaked optical pyrometry, where we observed a peak temperature of 0.9 0.15 eV on the rear surface of an Al sample heated by the proton beam. Here, the simulations using the hybrid-PIC code LSP and the rad-hydro code HELIOS show that a measured proton beam can heat Al to approximately 4 eV and polypropylene to 1 eV if instead focused by a hemispherical Cu target. Through additional LSP simulations, we anticipate creating hotter warm dense matter states (20 eV) by increasing the laser energy to 10 J and keeping the other laser parameters fixed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Reproducibility of real-time time-dependent density functional theory calculations of electronic stopping power in warm dense matter

Real-time time-dependent density functional theory (TDDFT) is widely considered to be the most accurate available method for calculating electronic stopping powers from first principles, but there have been relatively few assessments of the consistency of its predictions across different implementations. This problem is particularly acute in the warm dense regime, where computational costs are high and experimental validation is rare and resource intensive. We report a comprehensive cross-verification of stopping power calculations in conditions relevant to inertial confinement fusion conducted using four different TDDFT implementations. We find excellent agreement among both the post-processed stopping powers and relevant time-resolved quantities for alpha particles in warm dense hydrogen. We also analyze sensitivities to a wide range of methodological details, including the exchange-correlation model, pseudopotentials, initial conditions, observable from which the stopping power is extracted, averaging procedures, projectile trajectory, and finite-size effects. We show that among these details, pseudopotentials, trajectory-dependence, and finite-size effects have the strongest influence, and we discuss different strategies for controlling the latter two considerations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Equation of state of hot, dense magnesium derived with first-principles computer simulations

Using two first-principles computer simulation techniques, path integral Monte Carlo and density functional theory molecular dynamics, we derive the equation of state of magnesium in the regime of warm dense matter, with densities ranging from 0.43 to 86.11 g cm –3 and temperatures from 20,000 K to 5×10 8 K. These conditions are relevant for the interiors of giant planets and stars as well as for shock compression measurements and inertial confinement fusion experiments. Here, we study ionization mechanisms and the electronic structure of magnesium as a function of density and temperature. We show that the L shell electrons, 2s and 2p energy bands, merge at high densities. This results in gradual ionization of the L-shell with increasing density and temperature. In this regard, Mg differs from MgO, which is also reflected in the shape of its principal shock Hugoniot curve. For Mg, we predict a single broad pressure-temperature region, where the shock compression ratio is approximately 4.9. Mg thus differs from Si and Al plasmas that exhibit two well-separated compression maxima on the Hugoniot curve for L and K shell ionizations. Finally, we study multiple shocks and effects of preheat and precompression.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Toward first principles-based simulations of dense hydrogen

Accurate knowledge of the properties of hydrogen at high compression is crucial for astrophysics (e.g., planetary and stellar interiors, brown dwarfs, atmosphere of compact stars) and laboratory experiments, including inertial confinement fusion. There exists experimental data for the equation of state, conductivity, and Thomson scattering spectra. However, the analysis of the measurements at extreme pressures and temperatures typically involves additional model assumptions, which makes it difficult to assess the accuracy of the experimental data rigorously. On the other hand, theory and modeling have produced extensive collections of data. They originate from a very large variety of models and simulations including path integral Monte Carlo (PIMC) simulations, density functional theory (DFT), chemical models, machine-learned models, and combinations thereof. At the same time, each of these methods has fundamental limitations (fermion sign problem in PIMC, approximate exchange–correlation functionals of DFT, inconsistent interaction energy contributions in chemical models, etc.), so for some parameter ranges accurate predictions are difficult. Recently, a number of breakthroughs in first principles PIMC as well as in DFT simulations were achieved which are discussed in this review. Here we use these results to benchmark different simulation methods. We present an update of the hydrogen phase diagram at high pressures, the expected phase transitions, and thermodynamic properties including the equation of state and momentum distribution. Furthermore, we discuss available dynamic results for warm dense hydrogen, including the conductivity, dynamic structure factor, plasmon dispersion, imaginary-time structure, and density response functions. We conclude by outlining strategies to combine different simulations to achieve accurate theoretical predictions that are based on first principles.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Warm Inflation with the Standard Model

We show for the first time that warm inflation is feasible with standard model (SM) gauge interactions alone. Our model consists of a minimal extension of the SM by a single scalar inflaton field with an axionlike coupling to gluons and a monomial potential. The effects of light fermions, which were previously argued to render warm inflation with the SM impossible, are alleviated by Hubble dilution of their chiral chemical potentials. Our model features only one adjustable combination of parameters and accommodates all inflationary observables. We briefly discuss implications for axion experiments, dark matter, and the strong 𝐶⁢𝑃 problem.

Axions↗

Towards a quantum fluid theory of correlated many-fermion systems from first principles

Correlated many-fermion systems emerge in a broad range of phenomena in warm dense matter, plasmonics, and ultracold atoms. Quantum hydrodynamics (QHD) complements first-principles methods for many-fermion systems at larger scales. We illustrate the failure of the standard Bohm potential central to QHD for strong perturbations when the density perturbation is larger than about 10^{-3} 10 − 3 of the mean density. We then extend QHD to this regime via the many-fermion Bohm potential from first-principles. This may lead to more accurate QHD simulations beyond their common application domain in the presence of strong perturbations at scales unattainable with first-principles methods.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Electron Kinetics Induced by Ultrafast Photoexcitation of Warm Dense Matter in a 30-nm-Thick Foil

We report on the study of electron kinetics induced by intense femtosecond (fs) laser excitation of electrons in the 5d band of Au. Changes in the electron system are observed from the temporal evolution of ac conductivity and conduction electron density. The results reveal an increase of electron thermalization time with excitation energy density, contrary to the Fermi-liquid behavior of the decrease of thermalization time associated with the heating of conduction electrons. This is attributed to the severe mitigation of photoexcitation by Auger decay. The study also uncovers the shortening of 5d hole lifetime with the increase of photoexcitation rates. Overall, these unique findings provide valuable insights for understanding electron kinetics under extreme nonequilibrium conditions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

On the Injection Scale of the Turbulence in the Partially Ionized Very Local Interstellar Medium

The cascade of magnetohydrodynamic (MHD) turbulence is subject to ion–neutral collisional damping and neutral viscous damping in the partially ionized interstellar medium. By examining the damping effects in the warm and partially ionized local interstellar medium, we find that the interstellar turbulence is damped by neutral viscosity at ~261 au and cannot account for the turbulent magnetic fluctuations detected by Voyager 1 and 2. The MHD turbulence measured by Voyager in the very local interstellar medium (VLISM) should be locally injected in the regime where ions are decoupled from neutrals for its cascade to survive the damping effects. With the imposed ion–neutral decoupling condition and the strong turbulence condition for the observed Kolmogorov magnetic energy spectrum, we find that the turbulence in the VLISM is sub-Alfvénic, and its largest possible injection scale is ~194 au.

79 ASTRONOMY AND ASTROPHYSICS↗

The phase-2 particle x-ray temporal diagnostic for simultaneous measurement of multiple x-ray and nuclear emission histories from OMEGA implosions (invited)

Electron-temperature (T e ) measurements in implosions provide valuable diagnostic information, as T e is negligibly affected by residual flows and other non-thermal effects unlike ion-temperature inferred from a fusion product spectrum. In OMEGA cryogenic implosions, measurement of T e (t) can be used to investigate effects related to time-resolved hot-spot energy balance. The newly implemented phase-2 Particle X-ray Temporal Diagnostic (PXTD) utilizes four fast-rise (~15 ps) scintillator-channels with distinct x-ray filtering. Titanium and stepped aluminum filtering were chosen to maximize detector sensitivity in the 10–20 keV range, as it has been shown that these x rays have similar density and temperature weighting to the emitted deuterium–tritium fusion neutrons (DTn) from OMEGA Cryo-DT implosions. High quality data have been collected from warm implosions at OMEGA. These data have been used to infer spatially integrated T e (t) with <10% uncertainty at peak emission. Nuclear and x-ray emission histories are measured with 10 ps relative timing uncertainty for x rays and DTn and 12 ps for x rays and deuterium- 3 He protons (D 3 Hep). A future upgrade to the system will enable spatially integrated T e (t) with 40 ps time-resolution from cryogenic DT implosions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

First-principles modeling of plasmons in aluminum under ambient and extreme conditions

The theoretical understanding of plasmon behavior is crucial for an accurate interpretation of inelastic scattering diagnostics in many experiments. In this work, we highlight the utility of linear response time-dependent density functional theory (LR-TDDFT) as a first-principles framework for consistently modeling plasmon properties. We provide a comprehensive analysis of plasmons in aluminum from ambient to warm dense matter conditions and assess typical properties such as the dynamical structure factor, the plasmon dispersion, and the plasmon lifetime. We compare our results with scattering measurements and with other TDDFT results as well as models such as the random phase approximation, the Mermin approach, and the dielectric function obtained using static local field corrections of the uniform electron gas parametrized from path-integral Monte Carlo simulations. We conclude that results for the plasmon dispersion and lifetime are inconsistent between experiment and theories and that the common practice of extracting and studying plasmon dispersion relations is an insufficient procedure to capture the complicated physics contained in the dynamic structure factor in its full breadth.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Demonstration of an x-ray Raman spectroscopy setup to study warm dense carbon at the high energy density instrument of European XFEL

We present a proof-of-principle study demonstrating x-ray Raman Spectroscopy (XRS) from carbon samples at ambient conditions in conjunction with other common diagnostics to study warm dense matter, performed at the high energy density scientific instrument of the European x-ray Free Electron Laser (European XFEL). We obtain sufficient spectral resolution to identify the local structure and chemical bonding of diamond and graphite samples, using highly annealed pyrolytic graphite spectrometers. Due to the high crystal reflectivity and XFEL brightness, we obtain signal strengths that will enable accurate XRS measurements in upcoming pump–probe experiments with a high repetition-rate, where the samples will be pumped with high-power lasers. Molecular dynamics simulations based on density functional theory together with XRS simulations demonstrate the potential of this technique and show predictions for high-energy-density conditions. Our setup allows simultaneous implementation of several different diagnostic methods to reduce ambiguities in the analysis of the experimental results, which, for warm dense matter, often relies on simplifying model assumptions. The promising capabilities demonstrated here provide unprecedented insights into chemical and structural dynamics in warm dense matter states of light elements, including conditions similar to the interiors of planets, low-mass stars, and other celestial bodies.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

National Ignition Campaign Data Analysis by an ICF Outsider

A simple DT burn model, with no alpha-particle warming feedback, using a combination of ICF inputs and the measured ion temperature, T, volume compression, C, ablator velocity, v, and burn width time, Δt, can reproduce the national-ignition campaign (NIC) fusion yields with a rms percent difference of ~40%. Analysis suggestion the fusion-yield reproducibility of NIC events with nominally identically measured T, C, v, and Δt is <30%. The highest fusion yields, at a fixed laser energy are obtained with depleted-uranium (DU) hohlraums and high-density carbon (HDC) ablators. Small diameter fit tubes (≤5 μm) enhance fusion yields by an average of 26±15% relative to 10-μm diameter fit tubes. A dependence of fusion yield on the diameter of the capsule relative to the diameter of the hohlraum is inferred for fixed T, C, v, and Δt. No evidence of conditions close to ignition, or alpha-particle warming is found in the existing NIC data with LEH< 2MJ. To obtain a predictive model for extrapolation proposes we map the T, C, and v into power laws as a function of LEH. The above mentioned extrapolatable model has a rms percent difference from the yields of the second half of the NIC of (56 ± 4)%. Higher (and significantly lower) DT temperatures are obtained with HDC ablators (and low-foot drives). The highest compressions are obtained via low-foot drives, but this does not compensate for the corresponding lower temperatures. An extrapolation of the presented model suggests significant alpha-particle heating at an LEH of ~5 MJ. It is hoped that others more familiar it the conditions needed for ignition will use to presented model to estimate the LEH required for ignition.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

The SuperCam Instrument Suite on the NASA Mars 2020 Rover: Body Unit and Combined System Tests

The SuperCam instrument suite provides the Mars 2020 rover, Perseverance, with a number of versatile remote-sensing techniques that can be used at long distance as well as within the robotic-arm workspace. These include laser-induced breakdown spectroscopy (LIBS), remote time-resolved Raman and luminescence spectroscopies, and visible and infrared (VISIR; separately referred to as VIS and IR) reflectance spectroscopy. A remote micro-imager (RMI) provides high-resolution color context imaging, and a microphone can be used as a stand-alone tool for environmental studies or to determine physical properties of rocks and soils from shock waves of laser-produced plasmas. SuperCam is built in three parts: The mast unit (MU), consisting of the laser, telescope, RMI, IR spectrometer, and associated electronics, is described in a companion paper. The on-board calibration targets are described in another companion paper. Here we describe SuperCam’s body unit (BU) and testing of the integrated instrument. The BU, mounted inside the rover body, receives light from the MU via a 5.8 m optical fiber. The light is split into three wavelength bands by a demultiplexer, and is routed via fiber bundles to three optical spectrometers, two of which (UV and violet; 245–340 and 385–465 nm) are crossed Czerny-Turner reflection spectrometers, nearly identical to their counterparts on ChemCam. The third is a high-efficiency transmission spectrometer containing an optical intensifier capable of gating exposures to 100 ns or longer, with variable delay times relative to the laser pulse. This spectrometer covers 535–853 nm ( $105\text{--}7070~\text{cm}^{-1}$ Raman shift relative to the 532 nm green laser beam) with $12~\text{cm}^{-1}$ full-width at half-maximum peak resolution in the Raman fingerprint region. The BU electronics boards interface with the rover and control the instrument, returning data to the rover. Thermal systems maintain a warm temperature during cruise to Mars to avoid contamination on the optics, and cool the detectors during operations on Mars.Results obtained with the integrated instrument demonstrate its capabilities for LIBS, for which a library of 332 standards was developed. Examples of Raman and VISIR spectroscopy are shown, demonstrating clear mineral identification with both techniques. Luminescence spectra demonstrate the utility of having both spectral and temporal dimensions. Finally, RMI and microphone tests on the rover demonstrate the capabilities of these subsystems as well.

47 OTHER INSTRUMENTATION↗