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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Controlling Factors of Chorus Spectral Gaps

Abstract The present study compares a single‐band chorus wave against a banded chorus wave observed by Van Allen Probes at adjacent times, and demonstrates that the single‐band chorus wave is associated with an anisotropic electron population over a broad energy range, while the banded chorus wave is accompanied by an electron phase space density plateau and an electron anisotropy reduction around Landau resonant energies. We further compare banded chorus waves with different spectral gap widths, and show that a wider spectral gap is associated with electron isotropization extending to higher energies with respect to the equatorial Landau resonant energy. We suggest that early generated chorus waves isotropize electrons via Landau resonant acceleration, and the waves that propagate to higher latitudes isotropize electrons at higher energies. The isotropization extending to higher energies leads to a larger spectral gap of new chorus waves after electrons bounce back to the equator.

Li, Jinxing↗
DOE OSTI2022

Origin of the injection-dependent emission blueshift and linewidth broadening of III-nitride light-emitting diodes

III-nitride light-emitting diodes (LEDs) exhibit an injection-dependent emission blueshift and linewidth broadening that is severely detrimental to their color purity. By using first-principles multi-scale modeling that accurately captures the competition between polarization-charge screening, phase-space filling, and many-body plasma renormalization, we explain the current-dependent spectral characteristics of polar III-nitride LEDs fabricated with state-of-the-art quantum wells. Our analysis uncovers a fundamental connection between carrier dynamics and the injection-dependent spectral characteristics of light-emitting materials. For example, polar III-nitride LEDs offer poor control over their injection-dependent color purity due to their poor hole transport and slow carrier-recombination dynamics, which forces them to operate at or near degenerate carrier densities. Designs that accelerate carrier recombination and transport and reduce the carrier density required to operate LEDs at a given current density lessen their injection-dependent wavelength shift and linewidth broadening.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

A compact filtered x-ray diode array spectrometer for the National Ignition Facility: SENTINEL

Sentinel is a 16-channel, filtered x-ray diode array spectrometer that has been developed to measure ~1 keV–20 keV x-ray emission generated by the National Ignition Facility (NIF) laser. Unlike the large, fixed-port versions of this diagnostic that currently exist on the NIF (known as Dante), Sentinel is a Diagnostic Instrument Manipulator compatible such that it can be fielded along the polar or equatorial lines-of-sight—an essential new capability for characterizing the often anisotropic x-ray emission from laser-driven sources. Here, we present the diagnostic design along with preliminary diode calibrations and performance results. The novel, small-form-factor x-ray diode design allows for ≳5×–25× increased channel areal density over that of Dante, simultaneously enabling improved diagnostic robustness and fidelity of spectral reconstructions. While the Sentinel diagnostic is anticipated to improve line-of-sight spectral characterization of x-ray sources for a wide variety of programs on the NIF, the compact and portable design is also attractive to small- and mid-scale facilities with limited diagnostic real estate.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

On the Stark Effect of the O I 777-nm Triplet in Plasma and Laser Fields

The O I 777-nm triplet transition is often used for plasma density diagnostics. It is also employed in nonlinear optics setups for producing quasi-comb structures when pumped by a near-resonant laser field. Here, we apply computer simulations to situations of the radiating atom subjected to the plasma microfields, laser fields, and both perturbations together. Our results, in particular, resolve a controversy related to the spectral line anomalously broadened in some laser-produced plasmas. The importance of using time-dependent density matrix is discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Magnon damping and mode softening in quantum double-exchange ferromagnets

We present a comprehensive analysis of the magnetic excitations and electronic properties of fully quantum double-exchange ferromagnets, i.e. systems where ferromagnetic (FM) ordering emerges from the competition between spin, charge, and orbital degrees of freedom, but without the canonical approximation of using classical localized spins. Specifically, we investigate spin excitations within the Kondo lattice-like model, as well as a two-orbital Hubbard Hamiltonian in proximity to the orbital-selective Mott phase. Computational analysis of the magnon dispersion, damping, and spectral weight within these models reveals unexpected phenomena, such as magnon mode softening and the anomalous decoherence of magnetic excitations as observed in earlier experimental efforts, but explained here without the use of the phononic degrees of freedom. We show that these effects are intrinsically linked to incoherent spectral features near the Fermi level, which arise due to the quantum nature of the local (on-site) triplets. This incoherent spectrum leads to a Stoner-like continuum on which spin excitations scatter, governing magnon lifetime and strongly influencing the dynamical spin structure factor. Our study explores the transition from coherent to incoherent magnon spectra by varying the electron density. Furthermore, we demonstrate that the magnitude of the localized spin mitigates decoherence by suppressing the incoherent spectral contributions near the Fermi level. We also discuss the effective J 1 –J 2 spin Hamiltonian, which can accurately describe the large doping region characterized by the magnon-mode softening. Finally, we show that this behavior is also present in multiorbital models with partially filled orbitals, namely, in systems without localized spin moments, provided that the model is in a strong coupling regime. Our results potentially have far-reaching implications for understanding FM ordering in various multi-band systems. These findings establish a previously unknown direct connection between the electronic correlations of those materials and spin excitations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Energy density driven ultrafast electronic excitations in a cuprate superconductor

Controlling nonequilibrium dynamics in quantum materials requires ultrafast probes with spectral selectivity. We report femtosecond reflectivity measurements on the cuprate superconductor Bi 2⁢ Sr 2⁢ CaCu 2 ⁢O 8+𝛿 using free-electron laser extreme-ultraviolet (23.5–177 eV) and near-infrared (1.5 eV) pump pulses. EUV pulses access deep electronic states, while NIR light excites valence-band transitions. Despite these distinct channels, both schemes produce nearly identical dynamics: above 𝑇 𝑐 , excitations relax through fast (100–300 fs) and slower (1–5 ps) channels; below 𝑇 𝑐 , a delayed component signals quasiparticle recombination and condensate recovery. We find that when electronic excitations are involved, the ultrafast response is governed mainly by absorbed energy rather than by the microscopic nature of the excitation. In contrast, bosonic driving in the THz or midinfrared produces qualitatively different dynamics. By demonstrating that EUV excitation of a correlated superconductor yields macroscopic dynamics converging with those from optical pumping, this work defines a new experimental paradigm: FEL pulses at core-level energies provide a powerful means to probe and control nonequilibrium electronic states in quantum materials on their intrinsic femtosecond timescales. This establishes FEL-based EUV pumping as a new capability for ultrafast materials science, opening routes toward soft x-ray and attosecond studies of correlated dynamics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Demonstration of a laser-driven, narrow spectral bandwidth x-ray source for collective x-ray scattering experiments

X-ray Thomson scattering (XRTS) is a powerful diagnostic technique that involves an x-ray source interacting with a dense plasma sample, resulting in a spectrum of elastically and inelastically scattered x-rays. Depending on the plasma conditions, one can measure a range of parameters from the resulting spectrum, including plasma temperature, electron density, and ionization state. To achieve sensitivity to collective electron oscillations, XRTS measurements require limited momentum transfer where the spectral separation of elastic and inelastic scattering is small. Such measurements require an x-ray probe source with a narrow bandwidth in order to reduce the spectral overlap between scattering contributions, allowing for the different features to be more precisely deconvolved. In this investigation, we discuss the theory behind how the bandwidth for a common XRTS probe, Zn He-α emission at 9 keV, can be reduced using a Cu K-edge filter.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Upper boundaries of active galactic nucleus regions in optical diagnostic diagrams

The distribution of galaxies in optical diagnostic diagrams can provide information about their physical parameters when compared with ionization models under proper assumptions. By using a sample of central emitting regions from the Mapping Nearby Galaxies at Apache Point Observatory survey (MaNGA), we find evidence of the existence of upper boundaries for narrow-line regions (NLRs) of active galactic nuclei (AGNs) in optical Baldwin, Phillips & Terlevich (BPT) diagrams, especially in diagrams involving [Sii]λλ6716, 6731/Hα. Photoionization models can reproduce the boundaries well, as a consequence of the decrease of [Sii]λλ6716, 6731/Hα and [Oiii]λ5007/Hβ ratios at very high metallicity. Whilst the exact location of the upper boundary in the [Sii] BPT diagram depends only weakly on the electron density of the ionized cloud and the secondary nitrogen prescription, its dependence on the shapes of the input spectral energy distributions (SEDs) is much stronger. This allows us to constrain the power-law index of the AGN SED between 1 Ryd and ~100 Ryd to be less than or equal to -1.40 ± 0.05. The coverage of photoionization models in the [Nii] BPT diagram has a stronger dependence on the electron density and the secondary nitrogen prescription. With the density constrained by the [Sii] doublet ratio and the input SED constrained by the [Sii] BPT diagram, we find that the extent of the data in the [Nii] BPT diagram favours those prescriptions with high N/O ratios. Furthermore, although shock-ionized clouds can produce line ratios similar to those from photoionization, the resulting shapes of the upper boundaries, if they exist, would likely be different from those of photoionizing origin.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

National Opacity Program: Analysis of Opacity-relevant X-ray Emission Spectra (Milestone Report ID 7121)

We have produced high energy density iron plasmas at temperatures above 1 keV and electron densities exceeding 1023 cm -3 (~ 1 g/cm 3 ) using the Orion laser at the Atomic Weapons Establishment. These plasmas were created by irradiating 50 µm diameter layered targets with frequency doubled (λ = 527 nm), 1 ps laser pulses focused to a 100 µm diameter producing an irradiance of ~ 2 x 10 18 W/cm 2 . The buried layer targets consist of 160 nm iron sulfide (FeS), 60 nm potassium chloride (KCl), and 15 nm carbon. The combined layers are tamped on both sides with 3 µm of parylene-N. The x-ray emission from the plasma was measured using two time-resolved, and four time-integrated Bragg crystal spectrometers, as well as one time-integrated imaging system. One time-resolved x-ray spectrometer measured emission from L-shell transitions in highly charged iron, the other from K-shell transitions in helium-like S 14+ and hydrogen-like S 15+ . The time-integrated spectrometers are intensity-calibrated and measured emission from K-shell transitions in sulfur, potassium, chlorine, and both K-shell and L-shell transitions in iron. The density and temperature of the plasma were determined by modeling the x-ray spectra using different spectral and hydrodynamic modeling packages. A brief overview of the uncertainties associated with the measurements and models are presented. We also give an overview of our 1-D HYDRA-DCA radiation-hydrodynamics model and improvements for future work. Our results aid in assessing experimental uncertainties associated with plasma uniformity and with x-ray emission employed as diagnostics in opacity experiments at temperatures and densities not achievable elsewhere and represent a significant step in creating and diagnosing plasmas near LTE. These results are summarized as part of the completion requirements for milestone 7121

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

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↗
DOE OSTI2023

Large-Scale Materials Modeling at Quantum Accuracy: Ab Initio Simulations of Quasicrystals and Interacting Extended Defects in Metallic Alloys

Ab initio electronic-structure has remained dichotomous between achievable accuracy and length-scale. Quantum many-body (QMB) methods realize quantum accuracy but fail to scale. Density functional theory (DFT) scales favorably but remains far from quantum accuracy. We present a framework that breaks this dichotomy by use of three interconnected modules: (i) invDFT: a methodological advance in inverse DFT linking QMB methods to DFT; (ii) MLXC: a machine-learned density functional trained with invDFT data, commensurate with quantum accuracy; (iii) DFT-FE-MLXC: an adaptive higher-order spectral finite-element (FE) based DFT implementation that integrates MLXC with efficient solver strategies and HPC innovations in FE-specific dense linear algebra, mixed-precision algorithms, and asynchronous compute-communication. Furthermore, we demonstrate a paradigm shift in DFT that not only provides an accuracy commensurate with QMB methods in ground-state energies, but also attains an unprecedented performance of 659.7 PFLOPS (43.1% peak FP64 performance) on 619,124 electrons using 8,000 GPU nodes of Frontier supercomputer.

density functional theory↗
DOE OSTI2023

Multielectronic and multiatomic effects in the U O 4,5 x-ray absorption spectroscopy of uranium dioxide

In order to explain all of the spectral features observed in the U O 4,5 x-ray absorption spectrum of uranium dioxide (UO 2 ), it is necessary to include both multielectron effects and multiatomic effects. The 5d (core hole)-5f (electron) angular momentum coupling that gives rise to the giant resonance has been treated within ligand field density functional theory, and the electron scattering that generates the extended x-ray absorption fine structure has been included via the spectral simulation program FEFF: both within a UO 8 fluorite cluster picture. An atomic model is insufficient to explain all of the observed spectral features.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Progress toward NIF opacity measurements

The opacities of iron and other mid-Z elements help to regulate the transport of energy in the sun. Recent experiments on the Sandia National Laboratories Z machine have shown large discrepancies between the measured and calculated opacities of iron at certain solar conditions. To replicate these opacity measurements a platform is being developed on the National Ignition Facility to measure the opacities of iron and other elements at the same conditions as in the Z experiments. The NIF platform consists of a hohlraum to heat the opacity sample to the desired conditions, a separate backlighter to radiograph the sample, and a spectrometer to give the spectrally resolved opacity. Not only must the opacity be measured but the temperature and density of the sample must also be accurately determined. This platform has now produced its first iron transmission measurements. Overall, these measurements will be presented along with plans for future measurements and details on how the measurements will be improved.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Strong mutual increase in the efficiency of isotope-selective laser IR dissociation of molecules under nonequilibrium thermodynamic conditions of the compression shock under irradiation in a bimolecular mixture

We have revealed a strong (by a factor of 2 to 5) mutual increase in the yield of IR molecular dissociation (by the example of CF{sub 2}HCl and CF{sub 3}Br) and a significant (by a factor of 1.5 to 3) lowering of dissociation thresholds in the nonequilibrium thermodynamic conditions of compression shock in the irradiation of the molecules by resonance IR laser radiation in the bimolecular mixture in comparison with their individual irradiation. This opens up the possibility to perform efficient isotope-selective IR dissociation of molecules at lower excitation energy densities (Φ ⩽ 1.5 – 2.0 J cm{sup −2}) and thereby to improve the dissociation selectivity. This was demonstrated by the example of chlorine- and bromine-isotope selective dissociation of the specified molecules, which are characterised by quite small (less than 0.25 cm{sup −1}) isotope shifts in the IR vibrational absorption spectra excited by laser radiation. The enrichment coefficients K {sub enr}({sup 35}Cl / {sup 37}Cl) = 0.90 ± 0.05 in the residual CF{sub 2}HCl gas and K {sub enr}({sup 79}Br / {sup 81}Br) in the resultant Br{sub 2} product are obtained when the CF{sub 2}HCl : CF{sub 3}Br = 1 : 1 molecular mixture and CF{sub 3}Br molecules, respectively, are irradiated by the 9R(30) CO{sub 2} laser line (frequency, 1084.635 cm{sup −1}) at an energy density Φ ≈ 1.3 J cm{sup −2}. (laser isotope separation)

36 MATERIALS SCIENCE↗
DOE OSTI2022

Introduction to spectral line shape theory

Spectral line-shape models are an important part of understanding high-energy-density (HED) plasmas. Models are needed for calculating opacity of materials and can serve as diagnostics for astrophysical and laboratory plasmas. However, much of the literature on line shapes is directed toward specialists. This perspective makes it difficult for non-specialists to enter the field. We have two broad goals with this topical review. First, we aim to give information so that others in HED physics may better understand the current field. Additionally, this first goal may help guide future experiments to test different aspects of the theory. Second, we provide an introduction for those who might be interested in line-shape theory, and enough materials to be able to navigate the field and the literature. We give a high-level overview of line broadening process, as well as dive into the formalism, available methods, and approximations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Study of Stark broadening of krypton helium-$\beta$ lines and estimation of electron density and temperature in NIF compressed capsules

Here the National Ignition Facility (NIF) diagnostic instrument manipulator (DIM) - based high resolution (dHIRES) x-ray spectrometer was used to measure the time evolution of the electron density (n e ) and temperature (T e ) in the hot spot of four NIF compressed capsules with 25 ps time resolution during the 'stagnation' phase. The electron density was inferred by comparing the measured Stark broadening of the krypton (Kr) Heβ spectral complex with theoretical calculations that include ion dynamic effects, and the electron temperature was inferred by comparing the measured ratio of the intensity of a dielectronically excited Li-like Kr line to the intensity of the Kr Heβ resonance line with calculations using the spectroscopic collisional radiative atomic model (SCRAM) and CRETIN collisional-radiative models. The inferred, time averaged n e values mainly agree with n e values from neutron diagnostics within uncertainties, but the neutron time-of-flight values of T ion are consistently higher than dHIRES T e values by 200–700 eV. The dHIRES measurements and measurement techniques, method of uncertainty analysis, and discussion of comparisons with measurements from neutron diagnostics are presented.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Time-dependent collisional radiative modeling of tungsten in the magnetic sheath for erosion diagnosis

Abstract Tungsten is the material of choice for the divertors in ITER, SPARC and future fusion reactors. Accurate diagnosis of tungsten erosion and migration is important for first wall life time, slag production and core performance. The addition of a magnetic presheath requires time-dependent collisional radiative effects to be included for accurate neutral tungsten collisional radiative modeling. Gross erosion measurements could be modified by a factor of 10 due to the inclusion of time-dependent effects for ITER relevant divertor conditions. A simple sputtering model and sheath density model are developed to investigate time-dependent collisional radiative effects. Neutral tungsten spectral lines populated from different metastable levels depend on model parameters leading to potential spectroscopic diagnostics of plasma parameters. Electron temperatures inferred from spectroscopic line ratios are in agreement with Langmuir probe measurements in the Compact Toroidal Hybrid.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Micropinch formation dynamics in X pinches

High temporal resolution x-ray streak camera studies of micropinch formation in Cu hybrid x pinches reveal key plasma conditions. Analysis of Ne-like Cu lines indicate an average electron temperature of about 200 eV and 4.5×10 28 m -3 electron density. Here, the spectra suggest that the electron temperature jumps to about 1 keV, inferred from the continuum and the postcontinuum line emission that includes Li-like Cu lines. There is no sign of a rapid temperature change or a substantial surge in radiation emission during the 200 ps precontinuum x-ray burst, suggesting that the radiative collapse process does not play a major role in micropinch formation. Two-dimensional extended Magnetohydrodynamic (MHD) simulations, coupled to a collisional-radiative spectral analysis code, suggest the significance of the rapid radial implosion of high-temperature, low-density plasma, the axial outflow, and the dynamic plasma pressure in micropinch formation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗