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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 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Insights into Tetravalent Np Speciation in HNO 3 through Spectroelectrochemistry and Multivariate Analysis

In situ optical spectroscopy, spectropotentiometry, and multivariate analysis were applied to the Np(IV) nitrate system to better understand speciation and quantify HNO 3 concentration. Thin-layer spectropotentiometry, or spectroelectrochemistry, was leveraged to isolate and stabilize Np(IV) without compromising the solution conditions and generate representative Vis-NIR absorption spectra from 0.5 to 10 M HNO 3 and benchmark the corresponding Np(IV) molar absorptivity coefficients. Spectra were described with principal component analysis (PCA) to identify the purest Np(IV) absorbance spectra among other oxidation states [e.g., Np(V/VI)] at each acid concentration and then to identify the primary sources of variance within each Np(IV) spectrum with respect to Np(IV) nitrate complexes. Then, partial least-squares regression (PLSR) and support vector regression (SVR) models were built to predict HNO 3 concentration from the Np(IV) spectral data. The nonlinear SVR model outperformed the linear PLSR model for the HNO 3 concentration predictions. Finally, the inclusion of spectra collected in edge and center point HNO 3 concentrations in the calibration set was determined to be crucial for producing models with strong predictive capabilities. The multivariate approach used in this study makes it possible to quantify HNO 3 concentration solely based on Np(IV) absorption spectra, which is essential to quantifying processing streams in various online monitoring applications.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2021

Constraining the hadronic spectrum and repulsive interactions in a hadron resonance gas via fluctuations of conserved charges

We simultaneously incorporate two common extensions of the hadron resonance gas model, namely the addition of extra, unconfirmed resonances to the particle list and the excluded volume repulsive interactions. We emphasize the complementary nature of these two extensions and identify combinations of conserved charge susceptibilities that allow to constrain them separately. In particular, ratios of second-order susceptibilities like $\chi_{11}^{BQ}/\chi_2^B$ and $\chi_{11}^{BS}/\chi_2^B$ are sensitive only to the baryon spectrum, while fourth-to-second order ratios like $\chi_4^B/\chi_2^B$, $\chi_{31}^{BS}/\chi_{11}^{BS}$, or $\chi_{31}^{BQ}/\chi_{11}^{BQ}$ are mainly determined by repulsive interactions. Analysis of the available lattice results suggests the presence of both the extra states in the baryon-strangeness sector and the repulsive baryonic interaction, with indications that hyperons have a smaller repulsive core than non-strange baryons. Furthermore, the modified hadron resonance gas model presented here significantly improves the description of lattice QCD susceptibilities at chemical freeze-out and can be used for the analysis of event-by-event fluctuations in heavy-ion collisions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

New methods and simulations for cosmogenic induced spallation removal in Super-Kamiokande-IV

Radioactivity induced by cosmic muon spallation is a dominant source of backgrounds for 𝒪⁡(10 MeV) neutrino interactions in water Cherenkov detectors. In particular, it is crucial to reduce backgrounds to measure the solar neutrino spectrum and find neutrino interactions from distant supernovae. In this paper we introduce new techniques to locate muon-induced hadronic showers and efficiently reject spallation backgrounds. Applying these techniques to the solar neutrino analysis with an exposure of 2790 × 22.5 kton · day increases the signal efficiency by 12.6%, approximately corresponding to an additional year of detector running. Furthermore, we present the first spallation simulation at Super-Kamiokande, where we model hadronic interactions using fluka. The agreement between the isotope yields and shower pattern in this simulation and in the data gives confidence in the accuracy of this simulation, and thus opens the door to use it to optimize muon spallation removal in new data with gadolinium-enhanced neutron capture detection.

muons↗
DOE OSTI2020

Assessment of Existing Transportation Packages for Use with HALEU

Commercial light water reactor operators and fuel vendors in the United States are pursuing changes to fuel that include increased 235 U enrichment. Economic studies generally anticipate maximum near-term fuel assembly designs with up to 8 wt.% 235 U. Many next-generation nuclear reactor designs require high-assay low-enriched uranium (HALEU) (19.75 wt.% > 235 U > 5 wt.%) fuel. One necessary element for the commercial-scale use of HALEU is the ability to safely transport large quantities of enriched fuel material in multiple forms. However, there is uncertainty as to whether subcriticality requirements can be satisfied with existing package designs and whether existing critical benchmark experiment data are sufficient to support criticality safety code validation for HALEU transportation applications. This study assesses the potential to use currently licensed transportation packages for the transportation of increased enrichment unirradiated U fuel forms. The assessment uses selected package designs that represent the five categories of fuel form-boiling water reactor pins and assemblies, pressurized water reactor pins and assemblies, UF 6 , U-metal and tristructural isotropic (TRISO) particles, and UO 2 pellets or powder-and focuses on demonstrating subcriticality and identifying benchmark critical experiments appropriate for use in criticality computer code validation. Key quantities of interest that relate to subcriticality are limiting conditions (e.g., optimum moderation), package or package array k eff , package capacity, and package transportation array size. The SCALE TSUNAMI-3D and TSUNAMI Indices and Parameters codes are used for sensitivity and uncertainty calculations and for identification of candidate critical benchmark experiments for code validation. The primary metric for identifying candidate benchmarks is the similarity coefficient, c k . For each fuel form category, a representative package is evaluated. Results provided for each package evaluation include enrichment and packaging limits (e.g., maximum transportation array size as a function of enrichment) and benchmark critical experiment similarity coefficients. Results indicate that there are viable means for increasing enrichments into the HALEU range across the spectrum of fuel forms with differing increase amounts available for different packages. Sources of subcriticality margin to offset increased enrichment reactivity include reduced transportation array size, reduced fissile mass, burnable absorber credit, and safety analysis margin harvesting. For all packages except the DN-30, numerous critical benchmark experiment candidates for validation were identified.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Future North Atlantic tropical cyclone intensities in thermodynamically modified historical environments

Tropical cyclones (TCs) rank as the deadliest and most financially crippling natural disasters in the United States for the last half-century. It is imperative to assess potential shifts in TC intensity within the paradigm of an evolving climate. In this study, we have modeled the intensities of 620 historical TC events in the North Atlantic Basin using the Risk Analysis Framework for Tropical Cyclones (RAFT)'s deep learning intensity model. By applying a thermodynamic warming signal extrapolated from Global Climate Models, we rerun historical events under eight different future climate scenarios, providing a spectrum of potential TC intensity outcomes. One of the future simulations indicates a staggering 43% increase in the number of major hurricanes, underscoring the critical impact of climate change on TC intensity. Additionally, an interactive dashboard has been created to enable users to explore individual storm simulations and understand the influence of future climate signals on environmental conditions of TC development and resulting TC intensities. This dataset and the user-friendly tool offer invaluable resources for systematic exploration of the discrete effects that changes in the air-sea thermodynamic state have on the intensities of TCs.

Climate Change↗
DOE OSTI2024

Temporal Explosion Source Processes of Declared Nuclear Tests in the Democratic People’s Republic of Korea

In this work we highlight a preliminary temporal source analysis of the six declared Democratic People's Republic of Korea (DPRK) nuclear tests. We use regional seismic data to estimate relative source time functions (RSTFs) via iterative time-domain deconvolution (Ammon, 2006; Pippin, 2022) of vertical-component ground motions recorded within 2000 km of the source region. Since RSTFs are ideally independent of site and propagation effects, their amplitude spectrum is equivalent to the source spectral ratio, but they also retain phase information. We compare observed RSTFs (in the time and frequency domains) with synthetic RSTFs derived from the Mueller & Murphy (1971) explosion source model. The resolution of these time functions varies, however, we generally obtain high-quality results within the limitations of the recording broadband instrumentation. The results indicate that this method effectively preserves source time-history information that can be used for temporal analysis of remote nuclear explosions. This preliminary analysis is intended to assess the viability of using time-domain deconvolution methods for extracting temporal source information.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2022

A Simulation-based Method for Correcting Mode Coupling in CMB Angular Power Spectra

Modern cosmic microwave background (CMB) analysis pipelines regularly employ complex time-domain filters, beam models, masking, and other techniques during the production of sky maps and their corresponding angular power spectra. However, these processes can generate couplings between multipoles from the same spectrum and from different spectra, in addition to the typical power attenuation. Within the context of pseudo-C ℓ based, MASTER-style analyses, the net effect of the time-domain filtering is commonly approximated by a multiplicative transfer function, F ℓ , that can fail to capture mode mixing and is dependent on the spectrum of the signal. To address these shortcomings, we have developed a simulation-based spectral correction approach that constructs a two-dimensional transfer matrix, ${J}_{{\ell }{\ell }^{\prime} }$, which contains information about mode mixing in addition to mode attenuation. We demonstrate the application of this approach on data from the first flight of the Spider balloon-borne CMB experiment.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Into the UV: A Precise Transmission Spectrum of HAT-P-41b Using Hubble’s WFC3/UVIS G280 Grism

The ultraviolet–visible wavelength range holds critical spectral diagnostics for the chemistry and physics at work in planetary atmospheres. To date, time-series studies of exoplanets to characterize their atmospheres have relied on several combinations of modes on the Hubble Space Telescope’s STIS/COS instruments to access this wavelength regime. Here for the first time, we apply the Hubble WFC3/UVIS G280 grism mode to obtain exoplanet spectroscopy from 200 to 800 nm in a single observation. We test the G280 grism mode on the hot Jupiter HAT-P-41b over two consecutive transits to determine its viability for the characterization of exoplanet atmospheres. We obtain a broadband transit depth precision of 29–33 ppm and a precision of on average 200 ppm in 10 nm spectroscopic bins. Spectral information from the G280 grism can be extracted from both the positive and negative first-order spectra, resulting in a 60% increase in the measurable flux. Additionally, the first Hubble Space Telescope orbit can be fully utilized in the time-series analysis. We present detailed extraction and reduction methods for use by future investigations with this mode, testing multiple techniques. We find the results to be fully consistent with STIS measurements of HAT-P-41b from 310 to 800 nm, with the G280 results representing a more observationally efficient and precise spectrum. HAT-P-41b’s transmission spectrum is best fit with a model with T {sub eq} = 2091 K, high metallicity, and significant scattering and cloud opacity. With these first-of-their-kind observations, we demonstrate that WFC3/UVIS G280 is a powerful new tool to obtain UV–optical spectra of exoplanet atmospheres, adding to the UV legacy of Hubble and complementing future observations with the James Webb Space Telescope.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Analysis of Polarized Dust Emission Using Data from the First Flight of SPIDER

Using data from the first flight of Spider and from the Planck High Frequency Instrument, we probe the properties of polarized emission from interstellar dust in the Spider observing region. Component-separation algorithms operating in both the spatial and harmonic domains are applied to probe their consistency and to quantify modeling errors associated with their assumptions. Analyses of diffuse Galactic dust emission spanning the full Spider region demonstrate (i) a spectral energy distribution that is broadly consistent with a modified-blackbody (MBB) model with a spectral index of β d = 1.45 ± 0.05 (1.47 ± 0.06) for E (B)-mode polarization, slightly lower than that reported by Planck for the full sky; (ii) an angular power spectrum broadly consistent with a power law; and (iii) no significant detection of line-of-sight polarization decorrelation. Tests of several modeling uncertainties find only a modest impact (~10% in σ r ) on Spider's sensitivity to the cosmological tensor-to-scalar ratio. The size of the Spider region further allows for a statistically meaningful analysis of the variation in foreground properties within it. Assuming a fixed dust temperature T d = 19.6 K, an analysis of two independent subregions of that field results in inferred values of β d = 1.52 ± 0.06 and β d = 1.09 ± 0.09, which are inconsistent at the 3.9σ level. Furthermore, a joint analysis of Spider and Planck 217 and 353 GHz data within one subregion is inconsistent with a simple MBB at more than 3σ, assuming a common morphology of polarized dust emission over the full range of frequencies. This evidence of variation may inform the component-separation approaches of future cosmic microwave background polarization experiments.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

A temperature profile diagnostic for radiation waves on OMEGA-60

Predicting and matching radiation wave propagation with computational models has proven difficult. Information provided by experiments studying radiation flow has been limited when only radiation breakout is measured. We have developed the COAX (co-axial) diagnostic platform to provide spatial temperature profiles of a radiation wave through low density foams as a more detailed constraint for simulations. COAX uses a standard, laser-driven OMEGA-60 halfraum to drive radiation down a titanium-laden silicon oxide foam. Point-projection X-ray absorption spectroscopy perpendicular to the radiation flow measures the spatial profile of titanium ionization. The spectroscopic measurement utilizes a broadband capsule backlighter. Imaging and streak spectroscopy are used to characterize the size and spectrum of this source. Radiography provides an additional constraint by capturing the developing shock as the radiation flow becomes subsonic. The DANTE diagnostic is used to measure the halfraum temperature. Here, we provide a spectroscopic analysis of COAX data to determine temperature, and we describe experimental sources of uncertainty. The temperature is obtained by comparison to multi-temperature synthetic spectra post-processed from radiation-hydrodynamics simulations. Quantitative comparison between data and synthetic spectra generated from temperature profiles at relevant simulation times enable determination of a peak temperature of 114 ± 8 eV at 265 ± 22.4 μm from the halfraum. This represents an improvement over the temperature uncertainties of previous radiation flow experiments. Further refinements to the spectroscopic analysis could achieve ±4 eV. The combination between space-resolved spectroscopy and radiography enables us to determine the distance from the halfraum of both the radiation front and the shock front at the time of measurement. For the example shown in this paper the radiation front position is 600–630 μm at 3.43 ± 0.16 ns and the shock front position is 633 μm at 3.3 ± 0.24 ns.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

The physics of gain relevant to inertial fusion energy target designs

In inertial confinement fusion, pellets of deuterium tritium fuel are compressed and heated to the conditions where they undergo fusion and release energy. The target gain (ratio of energy released from the fusion reactions to the energy in the drive source) is a key parameter in determining the power flow and economics of an inertial fusion energy (IFE) power plant. In this study, the physics of gain is explored for laser-direct-drive targets with driver energy at the megajoule scale. This analysis is performed with the assumption of next-generation laser technologies that are expected to increase convergent drive pressures to over 200 Mbar. This is possible with the addition of bandwidth to the laser spectrum and by employing focal-spot zooming. Simple physics arguments are used to derive scaling laws that describe target gain as a function of laser energy, adiabat, ablation pressure, and implosion velocity. Scaling laws are found for the unablated mass, ablation pressure, areal density, implosion velocity, and in-flight aspect ratio. Furthermore, those scaling laws are then used to explore the design space for IFE targets.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Unusual magnetotransport in twisted bilayer graphene from strain-induced open Fermi surfaces

Anisotropic hopping in a toy Hofstadter model was recently invoked to explain a rich and surprising Landau spectrum measured in twisted bilayer graphene away from the magic angle. Suspecting that such anisotropy could arise from unintended uniaxial strain, we extend the Bistritzer–MacDonald model to include uniaxial heterostrain and present a detailed analysis of its impact on band structure and magnetotransport. We find that such strain strongly influences band structure, shifting the three otherwise-degenerate van Hove points to different energies. Coupled to a Boltzmann magnetotransport calculation, this reproduces previously unexplained nonsaturating B 2 magnetoresistance over broad ranges of density near filling ν = ± 2 and predicts subtler features that had not been noticed in the experimental data. In contrast to these distinctive signatures in longitudinal resistivity, the Hall coefficient is barely influenced by strain, to the extent that it still shows a single sign change on each side of the charge neutrality point—surprisingly, this sign change no longer occurs at a van Hove point. The theory also predicts a marked rotation of the electrical transport principal axes as a function of filling even for fixed strain and for rigid bands. More careful examination of interaction-induced nematic order versus strain effects in twisted bilayer graphene could thus be in order.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Discovery of multiple p-mode pulsation frequencies in the roAp star, HD 86181

ABSTRACT We report the frequency analysis of a known roAp star, HD 86181 (TIC 469246567), with new inferences from Transiting Exoplanet Survey Satellite (TESS) data. We derive the rotation frequency to be νrot = 0.48753 ± 0.00001 d−1. The pulsation frequency spectrum is rich, consisting of two doublets and one quintuplet, which we interpret to be oblique pulsation multiplets from consecutive, high-overtone dipole, quadrupole, and dipole modes. The central frequency of the quintuplet is 232.7701 d−1 (2.694 mHz). The phases of the sidelobes, the pulsation phase modulation, and a spherical harmonic decomposition all show that the quadrupole mode is distorted. Following the oblique pulsator model, we calculate the rotation inclination, i, and magnetic obliquity, β, of this star, which provide detailed information about the pulsation geometry. The i and β derived from the best fit of the pulsation amplitude and phase modulation to a theoretical model, including the magnetic field effect, slightly differ from those calculated for a pure quadrupole, indicating the contributions from ℓ = 4, 6, 8,... are small. Non-adiabatic models with different envelope convection conditions and physics configurations were considered for this star. It is shown that models with envelope convection almost fully suppressed can explain the excitation at the observed pulsation frequencies.

Shi, Fangfei (ORCID:0000000323998216)↗
DOE OSTI2022

QCD factorization for hadronic quarkonium production at high $p_T$

Heavy quarkonium production at high transverse momentum ( p_T p T ) in hadronic collisions is explored in the QCD factorization approach. We find that the leading power in the 1/p_T 1 / p T expansion is responsible for high p_T p T regime, while the next-to-leading power contribution is necessary for the low p_T p T region. We present the first numerical analysis of the scale evolution of coupled twist-2 and twist-4 fragmentation functions (FFs) for heavy quarkonium production and demonstrate that the QCD factorization approach is capable of describing the p_T p T spectrum of hadronic J/\psi J / ψ production at the LHC.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Fermi-LAT Detection of the Supernova Remnant G312.4-0.4 in the Vicinity of 4FGL J1409.1-6121e

Abstract Gamma-ray emission provides constraints on the nonthermal radiation processes at play in astrophysical particle accelerators. This allows both the nature of accelerated particles and the maximum energy that they can reach to be determined. Notably, it remains an open question to what extent supernova remnants contribute to the sea of Galactic cosmic rays. In the Galactic plane, at around 312° of Galactic longitude, Fermi-LAT observations show an extended source (4FGL J1409.1−6121e) around five powerful pulsars. This source is described by one large disk of 0.°7 radius with a high significance of 45σin the 4FGL-DR3 catalog. Using 14 yr of Fermi-LAT observations, we revisited this region with a detailed spectro-morphological analysis in order to disentangle its underlying structure. Three sources have been distinguished, including the supernova remnant G312.4−0.4 whose gamma-ray emission correlates well with the shell observed at radio energies. The hard spectrum detected by the LAT, extending up to 100 GeV without any sign of a cutoff, is well reproduced by a purely hadronic model.

Astronomy & Astrophysics↗
DOE OSTI2026

Cosolvent-tuned interactions in ionic liquids: A vibrational and quantum-chemical study of ethylene glycol ratio effects

Ionic liquids (ILs) are attractive media for CO 2 capture but remain limited by viscosity and cost. Blending ILs with ethylene glycol (EG) is a practical route to mitigate these constraints, yet the molecular origins of cosolvent effects and their dependence on composition are not well resolved. We combine Fourier-transform infrared (FT-IR) spectroscopy with quantum-chemical (DFT) analysis to elucidate how the IL:EG molar ratio modulates intermolecular interactions and electronic structure. Computed vibrational frequencies enable mode assignment and deconvolution of overlapping bands, revealing systematic, ratio-dependent shifts and broadenings in (i) EG O–H stretching, (ii) cation and EG C–H stretchings (imidazolium C2–H, C4–H, C5–H, methyl and ethyl groups, -CH2 of EG), (iii) anion signature modes (e.g., CN motifs), and (iv) EG C–O and C–C stretchings, consistent with the redistribution of hydrogen-bonding networks. Molecular electrostatic potential (MESP) maps quantify attenuation of extreme potential regions with increasing EG, indicating progressive screening of cation–anion electrostatic interactions. Quantum Theory of Atoms in Molecules (QTAIM) identifies emergent bond critical points between EG and the IL ions, while Reduced Density Gradient–Noncovalent Interaction (RDG–NCI) analysis differentiates strong directional hydrogen bonds from dispersive contacts across compositions. Together, these results show that EG fraction controls a switch from predominantly ion–ion to mixed ion–EG coordination, altering local polarity and polarizability that underlie the observed FT-IR trends. The framework provides composition–structure–spectrum relationships that can guide rational selection of IL:EG ratios to balance favorable molecular interactions with practical performance targets in scalable CO 2 capture systems.

DAC↗
DOE OSTI2023

Effects of baryonic feedback on the cosmic web

Here, we study the effect of baryons on the cosmic web—halos, filaments, walls, and voids. To do so, we apply a modified version of NEXUS, a cosmic web morphological analysis algorithm, to the IllustrisTNG simulations. We find that halos lose more than 10% of their mass due to baryons, mostly to filaments and a small portion to walls and voids. However, the mass transfer does not significantly shift the boundaries of structures, leaving the volume fractions of the cosmic structures largely unaffected. We quantify the effects of baryonic feedback on the power spectrum and the probability density function of the density field for individual cosmic structures. For the power spectrum, most suppression due to feedback can be accounted for by including M ≥ 10 12 M ⊙ /h halos, without considering other cosmic structures. However, when examining the probability density function of the density field, we find nearly 100% suppression of the emptiest regions and 10%-level effects (boost or suppression) in the remaining regions of filaments, walls, and voids. Our results indicate the importance of modeling the effects of baryons in the whole cosmic web, not just halos, for cosmological analysis beyond two-point statistics or field-based inferences.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

The Low-Lying Electronic States of NO 2 : Potential Energy and Dipole Surfaces, Bound States, and Electronic Absorption Spectrum

Nitrogen dioxide, NO 2 , is a free radical composed of the two most abundant elements in Earth’s atmosphere, nitrogen and oxygen, and is relevant to atmospheric and combustion chemistry. The electronic structure of even its lowest-lying states is remarkably complex, with various conical intersections and Renner–Teller pairings, giving rise to complex and perturbed vibronic states. Here we report some analysis of the 18 molecular states of doublet spin-multiplicity formed by combining ground-state N( 4 S u ) and O( 3 P g ) atoms. In this work, three-dimensional potential energy surfaces were fit at the MRCI(Q)-F12/VTZ-F12 level, describing the lowest four ($\tilde X$, $\tilde A$, $\tilde B$, and $\tilde C$) electronic states. A properties-based diabatization procedure was applied to accommodate the intersections, producing energies in a quasidiabatic representation and yielding couplings that were also fit into surfaces. The low-lying vibrational levels on the ground $\tilde X$ state were computed and compared with experimental measurements. Compared to experiment, the lowest 125 calculated vibrational levels (up to 8500 cm –1 above the zero-point energy) have a root-mean-squared error of 16.5 cm –1 . In addition, dipole moments for each of the lowest four electronic states—and the transition dipoles between them—were also computed and fit. With the coupled energy and dipole surfaces, the electronic spectrum was calculated in absolute intensity and compared with experimental measurements. Detailed structure in the experimental spectrum was successfully reproduced, and the total integrated intensity matches experiment to an accuracy of ~1.5% with no empirical adjustments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗