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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Electron-impact ionization from excited states method

We present a distorted-wave with exchange (DWE) formulation for computing electron-impact ionization (EII) cross sections within the recently developed excited states method (ESM) for plasmas. The ESM provides a self-consistent quantum-mechanical description of both bound and continuum electronic states in dense plasmas, incorporating finite-temperature and screening effects absent in isolated-atom approaches. Using this framework, we calculate EII cross sections for lithium across a wide range of temperatures and densities. We show that the ESM reproduces the isolated-atom limit at low densities while capturing strong plasma effects, such as pressure ionization and shape resonances, at solid density. Comparisons with isolated-atom DWE and average-atom (AA) calculations reveal that, although AA cross sections can approximate configuration average behavior, the ESM provides more accurate, state-resolved answers. In conclusion, these results demonstrate that the ESM allows one to obtain rate coefficients for collisional-radiative modeling of plasmas out of local thermodynamical equilibrium.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Complementarity of neutron, XFEL and synchrotron crystallography for defining the structures of metalloenzymes at room temperature

Room-temperature macromolecular crystallography allows protein structures to be determined under close-to-physiological conditions, permits dynamic freedom in protein motions and enables time-resolved studies. In the case of metalloenzymes that are highly sensitive to radiation damage, such room-temperature experiments can present challenges, including increased rates of X-ray reduction of metal centres and site-specific radiation-damage artefacts, as well as in devising appropriate sample-delivery and data-collection methods. It can also be problematic to compare structures measured using different crystal sizes and light sources. In this study, structures of a multifunctional globin, dehaloperoxidase B (DHP-B), obtained using several methods of room-temperature crystallographic structure determination are described and compared. Here, data were measured from large single crystals and multiple microcrystals using neutrons, X-ray free-electron laser pulses, monochromatic synchrotron radiation and polychromatic (Laue) radiation light sources. These approaches span a range of 18 orders of magnitude in measurement time per diffraction pattern and four orders of magnitude in crystal volume. The first room-temperature neutron structures of DHP-B are also presented, allowing the explicit identification of the hydrogen positions. The neutron data proved to be complementary to the serial femtosecond crystallography data, with both methods providing structures free of the effects of X-ray radiation damage when compared with standard cryo-crystallography. Comparison of these room-temperature methods demonstrated the large differences in sample requirements, data-collection time and the potential for radiation damage between them. With regard to the structure and function of DHP-B, despite the results being partly limited by differences in the underlying structures, new information was gained on the protonation states of active-site residues which may guide future studies of DHP-B.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Radiation-Induced Changes in Single Crystal Calcite and Dolomite: Mineral Analogues of Light Water Reactor, Nuclear Power Plant Concrete Aggregates

Two analogues of aggregates (calcite and dolomite) found in nuclear power plant (NPP) concrete have been neutron irradiated to fluences up to 2 × 10 20 n/cm 2 at 52 °C and 4 × 10 19 n/cm 2 at 95 °C (E > 0.1 MeV). X-ray diffraction studies showed that these aging conditions affected crystallography of both calcite and dolomite, with both showing a growth in their unit cells compared to that of the unirradiated samples. Only dolomite samples showed a continuous increase of its lattice parameters with the increase in irradiation. In calcites, the lattice growth with irradiation dissipated after a fluence of 5 × 10 18 n/cm 2 . Radiation-induced disordering of the crystal structure was observed in both materials, while a healing effect of irradiation temperature was mainly observed in calcites. Dislocation densities calculated by using XRD data also supported these observations. Insights made into the unit cells of both minerals by using Fourier synthesis showed that the Mg sites are more prone to the neutron irradiation than the Ca sites, resulting in larger radiation effects and higher disruption in the crystal structure of dolomite than that of calcite. Furthermore, other than the polycrystalline characteristics observed by using TEM, these minerals did not show complete amorphization or significant structural decomposition at the studied irradiation fluences.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Design and modeling of indirectly driven magnetized implosions on the NIF

The use of magnetic fields to improve the performance of hohlraum-driven implosions on the National Ignition Facility (NIF) is discussed. The focus is on magnetically insulated inertial confinement fusion, where the primary field effect is to reduce electron-thermal and alpha-particle loss from the compressed hotspot (magnetic pressure is of secondary importance). We summarize the requirements to achieve this state. The design of recent NIF magnetized hohlraum experiments is presented. These are close to earlier shots in the three-shock, high-adiabat (BigFoot) campaign, subject to the constraints that magnetized NIF targets must be fielded at room-temperature, and use ≲1 MJ of laser energy to avoid the risk of optics damage from stimulated Brillouin scattering. We present results from the original magnetized hohlraum platform, as well as a later variant that gives a higher hotspot temperature. In both platforms, imposed fields (at the capsule center) of up to 28 T increase the fusion yield and hotspot temperature. Integrated radiation-magneto-hydrodynamic modeling with the Lasnex code of these shots is shown, where laser power multipliers and a saturation clamp on cross-beam energy transfer are developed to match the time of peak capsule emission and the P2 Legendre moment of the hotspot x-ray image. The resulting fusion yield and ion temperature agree decently with the measured relative effects of the field, although the absolute simulated yields are higher than the data by 2.0−2.7×. The tuned parameters and yield discrepancy are comparable for experiments with and without an imposed field, indicating the model adequately captures the field effects. Self-generated and imposed fields are added sequentially to simulations of one BigFoot NIF shot to understand how they alter target dynamics.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Z α 2 correction to superallowed beta decays in effective field theory and implications for | V u d |

Superallowed ( 0 + → 0 + ) beta decays currently provide the most precise extraction of quark mixing in the Standard Model. Their interpretation as a measurement of | V u d | relies on a reliable first-principles computation of QED radiative corrections expressed as a series in Z α and α . In this work, we provide the first model-independent result for two-loop, O ( Z α 2 ) , long-distance radiative corrections where the nuclei are treated as heavy pointlike particles. We use renormalization group analysis to obtain new results at O ( Z α 3 ) for the coefficient of double logarithms in the ratio of the maximal beta energy to the inverse nuclear size, E m / R - 1 . We use the Kinoshita-Lee-Nauenberg theorem to obtain new results at O ( Z 2 α 3 ) for the coefficient of logarithms in the ratio of maximal beta energy to the electron mass, log ( 2 E m / m ) . We identify a structure-dependent, and, therefore, short-distance, contribution to the traditional Z α 2 correction that should be revisited. We provide the first comprehensive update to the long-distance corrections in almost 40 years and comment on the impact of our findings for extractions of | V u d | . We find that shifts in the long-distance corrections are 2.5 × larger than past estimates of their uncertainty, 1.5 × larger than the statistical uncertainty from the combined fit of superallowed decays, and about 1 / 2 the size of estimated systematic error, which stems dominantly from nuclear structure effects.

Cao, Zehua [Kentucky U.] (ORCID:0009000354256423)↗
DOE OSTI2022

Impact of doped barriers on the recombination coefficients of c -plane InGaN/GaN single quantum well light-emitting diodes

Differential carrier lifetime measurements were performed on c-plane InGaN/GaN single quantum well (QW) light-emitting diodes (LEDs) of different QW indium compositions as well as with and without doped barriers. Mg-doped p-type and Si-doped n-type barriers close to the QW were used to reduce the net internal electric field in the QW, thereby improving the electron–hole wavefunction overlap on the LEDs. LEDs with doped barriers show short lifetimes and low carrier densities in the active region compared to the reference LEDs. The recombination coefficients in the ABC model were estimated based on the carrier lifetime and quantum efficiency measurements. The improvement in the radiative coefficients in the LEDs with doped barriers coupled with the blueshift of the emission wavelengths indeed indicates an enhancement in wavefunction overlap and a reduction of quantum confined Stark effect as a result of the reduced internal electric field. However, doped barriers also introduce non-radiative recombination centers and thereby increase the Shockley–Read–Hall (SRH) coefficient, although the increment is less for LEDs with high indium composition QWs. As a result, at high indium composition (22%), LEDs with doped barriers outperform the reference LEDs even though the trend is reversed for LEDs with lower indium composition (13.5%). In conclusion, despite the trade-off of higher SRH coefficients, doped barriers are shown to be effective in reducing the internal electric field and increasing the recombination coefficients.

42 ENGINEERING↗
DOE OSTI2020

Nitrogen-seeded divertor detachment in TCV L-mode plasmas

Most of the detachment experiments done to date on the tokamak à configuration variable (TCV), both in standard and alternative divertor geometries, focused on L-mode integrated core density ramps. In view of extending these studies to high-power, high-confinement regimes, where impurity seeding will be necessary for detachment, the properties of nitrogen seeded L-mode detachment in TCV are assessed here with the extensive set of edge and divertor diagnostics and similarities and differences with integrated core density ($\langle n_e \rangle$) ramp detachment experiments are elucidated. It is found that in high current, reversed field plasmas, detachment at the outer target is achieved with N 2 -seeding and density ramps, with target heat flux reductions of up to 90%, while the inner target only detaches with seeding. The Scrape-Off Layer radiation fraction reaches values of 60%–80% and in all situations, a stable radiator can form around the X-point. In this work, the most striking difference between seeding and density ramp is the behavior of the upstream quantities. During the $\langle n_e \rangle$-ramp, a broadening of the upstream density profile (density ‘shoulder’) occurs, concurrent with the outer target ion flux roll-over, while no such behavior occurs during nitrogen seeded detachment. Separatrix density, electron temperature and pressure also evolve strongly with increasing density, and are largely unaffected by the injection of nitrogen. Comparison of upstream and target pressures reveals that, in all cases, the outer target ion flux reduction coincides with the development of a parallel gradient of the total pressure. Common to all cases is also a reduction of energy confinement time with detachment, although this effect is weak for seeding at relatively high density. Studying the impact of the ∇B-drift direction in both nitrogen seeding and core density ramps reveals that drifts mainly affect the behavior at the inner strike point, highlighting the need to include them in edge transport simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Effective electric field: Quantifying the sensitivity of searches for new -odd physics with EuCl 3 ∙ 6H 2 O

Laboratory-scale precision experiments are a promising approach to searching for physics beyond the standard model. Noncentrosymmetric solids offer favorable statistical sensitivity for efforts that search for new fields, whose interactions violate the discrete parity and time-reversal symmetries. One example is the cosmic axion spin precession experiment (CASPEr), which can be sensitive to the defining interaction of the quantum chromodynamics (QCD) axion dark matter with gluons in atomic nuclei. The effective electric field is the parameter that quantifies the sensitivity of such experiments to new physics. We describe the theoretical approach to calculating the effective electric field for noncentrosymmetric sites in ionic insulating solids. We consider the specific example of the crystal, which is a particularly promising material. The optimistic estimate of the effective electric field for the isotope in this crystal is . The calculation uncertainty is estimated to be two orders of magnitude, dominated by the evaluation of the europium nuclear Schiff moment.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

A thermodynamic analysis of hypervelocity impacts on metals

Hypervelocity impacts on solid surfaces generate and propagate shock waves and create extreme density, pressure, and temperature conditions. Understanding hypervelocity impacts requires a multi-physics approach at the intersection of fluid dynamics, solid mechanics, and quantum theory, which has the capability of spanning multiple different dominating physics regimes. These strong shock conditions found in hypervelocity impacts are studied in the context of high-speed collisions between spacecraft and meteoroids and debris. We study the problem of hypervelocity impacts on metals with the lens of understanding the processes that lead to the creation of an impact generated plasma. In order to characterize the impacting particle as well as its threat to spacecraft from the subsequent radiating plasma an analysis was performed that highlights how the kinetic energy of the impactor is deposited into a target, how the shock wave and shocked material in the target evolve, and how these effects can lead towards the creation of an impact plasma through heating. The analysis suggests that at low velocities the majority of the energy from a hypervelocity impact is stored in reversible elastic energy and does not contribute to strong heating. At higher impact velocities, nucleus and electron thermal components dominate, increasing the energy available for ionization. Overall, this work provides the complete set of state variable initial conditions for any study of hypervelocity impact plasma expansion and its effects.

42 ENGINEERING↗
DOE OSTI2024

Inducing Circularly Polarized Single-Photon Emission via Chiral-Induced Spin Selectivity

One of the central aims of the field of spintronics is the control of individual electron spins to effectively manage the transmission of quantized data. One well-known mechanism for controlling electronic spin transport is the chiral-induced spin-selectivity (CISS) effect in which a helical nanostructure imparts a preferential spin orientation on the electronic transport. One potential application of the CISS effect is as a transduction pathway between electronic spin and circularly polarized light within nonreciprocal photonic devices. Here in this work, we identify and quantify the degree of chiral-induced spin-selective electronic transport in helical polyaniline films using magnetoconductive atomic force microscopy (mcAFM). We then induce circularly polarized quantum light emission from CdSe/CdS core/shell quantum dots placed on these films, demonstrating a degree of circular polarization of up to ~21%. Utilizing time-resolved photoluminescence microscopy, we measure the radiative lifetime difference associated with left- and right-handed circular polarizations of single emitters. These lifetime differences, in combination with Kelvin probe mapping of the variation of surface potential with magnetization of the substrate, help establish an energy level diagram describing the spin-dependent transport pathways that enable the circularly polarized photoluminescence.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Lorentz electron ptychography for imaging magnetic textures beyond the diffraction limit

Nanoscale spin textures, especially magnetic skyrmions, have attracted intense interest as candidate high-density and power-efficient information carriers for spintronic devices. Facilitating a deeper understanding of sub-100 nm to atomic-scale spin textures requires more advanced magnetic imaging techniques. Here, we demonstrate a Lorentz electron ptychography (LEP) method which can enable high-resolution, high-sensitivity magnetic field imaging for widely-available electron microscopes. The resolution of LEP is not limited by the usual diffraction limit of the lens optics, but instead is determined by the maximum scattering angle at which a statistically meaningful dose can still be recorded – this can be an improvement of up to 2 to 6 times depending on the allowable dose. Using FeGe as a model system, we realize a more accurate magnetic field measurement of skyrmions with an improved spatial resolution and sensitivity by also correcting the probe damping effects from the imaging optics via LEP. This allows us to directly resolve subtle internal structures of magnetic skyrmions near the skyrmion cores, boundaries, and dislocations in an FeGe single crystal. Our study establishes a quantitative, high-resolution magnetic microscopy technique that can reveal the nanoscale spin textures, especially magnetization discontinuities and topological defects in nanomagnets. In conclusion, the technique’s high dose efficiency should also make it well-suited for the exploration of magnetic textures in electron radiation-sensitive materials such as organic or molecular magnets.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

Tiny Bubbles: Combined HR(S)TEM and 4D-STEM Analysis of Sub-Nanometer He Bubbles in Au

Irradiation produces a distribution of defect sizes in materials, with the smallest defects often below one nanometer in size and approaching the scale of a single unit cell in metals. While high-resolution scanning transmission electron microscopy (STEM)-based imaging can directly image structures at this level, techniques such as four-dimensional STEM (4D-STEM) enable characterization of materials across large fields of view, capturing a more representative volume that can be valuable for quantifying defects, their distributions, and the associated strain fields. Here we present a combined HRSTEM and 4D-STEM approach to study the model system of He bubble implantation in an Au thin film. The present work is of general interest for the study of materials in extreme environments, as it demonstrates an effective way to characterize even the tiniest sub-nanometer sized He bubbles in addition to larger irradiation defects.

atomic-resolution STEM↗
DOE OSTI2021

Demonstration of Electron Cooling using a Pulsed Beam from an Electrostatic Electron Cooler

Electron cooling continues to be an invaluable technique to reduce and maintain the emittance in hadron storage rings in cases where stochastic cooling is inefficient and radiative cooling is negligible. Extending the energy range of electron coolers beyond what is feasible with the conventional, electrostatic approach necessitates the use of RF fields for acceleration and, thus, a bunched electron beam. To experimentally investigate how the relative time structure of the two beams affects the cooling properties, we have set up a pulsed-beam cooling device by adding a synchronized pulsing circuit to the conventional electron source of the CSRm cooler at Institute of Modern Physics *. We show the effect of the electron bunch length and longitudinal ion focusing strength on the temporal evolution of the longitudinal and transverse ion beam profile and demonstrate the detrimental effect of timing jitter as predicted by theory and simulations. Compared to actual RF-based coolers, the simplicity and flexibility of our setup will facilitate further investigations of specific aspects of bunched cooling such as synchro-betatron coupling and phase dithering.

Bruker, M. W.↗
DOE OSTI2021

Demonstration of Electron Cooling using a Pulsed Beam from an Electrostatic Electron Cooler

Electron cooling continues to be an invaluable technique to reduce and maintain the emittance in hadron storage rings in cases where stochastic cooling is inefficient and radiative cooling is negligible. Extending the energy range of electron coolers beyond what is feasible with the conventional, electrostatic approach necessitates the use of RF fields for acceleration and, thus, a bunched electron beam. To experimentally investigate how the relative time structure of the two beams affects the cooling properties, we have set up a pulsed-beam cooling device by adding a synchronized pulsing circuit to the conventional electron source of the CSRm cooler at Institute of Modern Physics *. We show the effect of the electron bunch length and longitudinal ion focusing strength on the temporal evolution of the longitudinal and transverse ion beam profile and demonstrate the detrimental effect of timing jitter as predicted by theory and simulations. Compared to actual RF-based coolers, the simplicity and flexibility of our setup will facilitate further investigations of specific aspects of bunched cooling such as synchro-betatron coupling and phase dithering.

Bruker, M. W.↗
DOE OSTI2021

Ultrafast time-resolved x-ray absorption spectroscopy of ionized urea and its dimer through ab initio nonadiabatic dynamics

Investigating the early dynamics of chemical systems following ionization is essential for our understanding of radiation damage. However, experimental as well as theoretical investigations are very challenging due to the complex nature of these processes. Time-resolved x-ray absorption spectroscopy on a femtosecond timescale, in combination with appropriate simulations, is able to provide crucial insights into the ultrafast processes that occur upon ionization due to its element-specific probing nature. In this theoretical study, we investigate the ultrafast dynamics of valence-ionized states of urea and its dimer employing Tully's fewest switches surface hopping approach using Koopmans' theorem to describe the ionized system. We demonstrate that following valence ionization through a pump pulse, the time-resolved x-ray absorption spectra at the carbon, nitrogen, and oxygen K-edges reveal rich insights into the dynamics. Excited states of the ionized system give rise to time-delayed blueshifts in the x-ray absorption spectra as a result of electronic relaxation dynamics through nonadiabatic transitions. Moreover, our statistical analysis reveals specific structural dynamics in the molecule that induce time-dependent changes in the spectra. For the urea monomer, we elucidate the possibility to trace effects of specific molecular vibrations in the time-resolved x-ray absorption spectra. For the urea dimer, where ionization triggers a proton transfer reaction, we show how the x-ray absorption spectra can reveal specific details on the progress of proton transfer.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Observation of non-thermal electron formation during the thermal quench of shattered pellet injection shutdowns in DIII-D

Formation of non-thermal (hot) electrons is studied during the thermal quench of shattered pellet injection (SPI) discharge shutdowns in the DIII-D tokamak. Both pure neon and mixed neon/deuterium shutdowns are studied. High-energy radiation (SXR and EUV) brightness levels show indications of non-thermal electron formation during the TQ. The non-thermal densities are of order 10 18 m –3 and non-thermal temperatures are estimated to be of order 10 keV. The non-thermal electrons appear to be mostly lost during the subsequent current quench, as no signal of relativistic runaway electrons is typically seen at the end of the current quench. In conclusion, the non-thermals appear to have an effect on the deposition profile of the SPI pellets, especially at the end of the TQ, due to increased pellet ablation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Testing effective field theory with the most general neutron decay correlations

Built on the seminal works by Jackson-Treiman-Wyld and Ebel-Feldman, we derive the most general free neutron differential decay rate where all massive particles (neutron, proton, and electron) are polarized. This introduces 33 new correlations in addition to the 18 existing ones, which overconstrain the coupling constants in the low-energy effective field theory of charged weak interactions, and thus provides stringent tests of the validity of the theory framework itself. We classify the correlation coefficients in terms of their Standard Model limit and discrete symmetries, and study their expansion with respect to the new physics coupling strengths, supplemented by the experiment-independent 𝒪⁡(𝛼) virtual electromagnetic radiative corrections.

Astronomy & Astrophysics↗