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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

STEM Imaging of Materials: Final Report for DE-FG02-08ER46547

This project supported research advancing the state of the art in scanning transmission electron microscopy (STEM) imaging and characterization of materials, especially electronic materials. The project began with studies of point defects in materials using high-resolution Z-contrast STEM, then evolved to including methods in four-dimensional (4D) STEM and machine learning. Highlights include: (1) the discovery of stable, p-type ZnO via Sb doping, (2) demonstration that the high performance of InGaN LEDs is not due to In composition fluctuations as previously proposed, (3) the demonstration of the first sub-pm precision high-resolution STEM images using non-rigid registration of a series of STEM images, (4) the extension of high-precision STEM to low dose imaging and spectrum imaging, (5) discovery of a synthesis method for twisted spiral growth of transition-metal dichalcogenide materials via chemical vapor deposition, and (6) development of machine-learning methods for analysis and denoising of enormous 4D STEM data sets.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Utilizing a Database of Simulated Geometric Albedo Spectra for Photometric Characterization of Rocky Exoplanet Atmospheres

In anticipation of future flagship missions focused on the goal of achieving direct imaging of rocky exoplanets, we have developed a database of models to help the community examine the potential spectral characteristics of a broad range of rocky planet atmospheres. Using the publicly available Planetary Spectrum Generator, we have computed a grid of 141,600 rocky exoplanet geometric albedo spectra across a seven-dimensional parameter space. Using this grid, we have performed a color–color analysis seeking to identify the most useful near-UV and red or near-infrared photometric follow-up channels to combine with a green-optical (discovery) spectral channel. We found that a combination of filters at 0.4, 0.58, and ∼0.8 μm were able to distinguish between atmospheres with moderate-to-high concentrations of four different dominant absorbing constituents, given at least 10 hr of observation on a star at 10 parsec with a 15 m class space telescope; however, more moderate abundances similar to those of solar system rocky bodies would be more challenging to detect. We recommend that future missions seeking to characterize directly imaged rocky exoplanets by colors alone further consider multiband photometry as a first discriminator for planetary characteristics.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

As a Matter of Tension: Kinetic Energy Spectra in MHD Turbulence

While magnetized turbulence is ubiquitous in many astrophysical and terrestrial systems, our understanding of even the simplest physical description of this phenomena, ideal magnetohydrodynamic (MHD) turbulence, remains substantially incomplete. As such, in this work we highlight the shortcomings of existing theoretical and phenomenological descriptions of MHD turbulence that focus on the joint (kinetic and magnetic) energy fluxes and spectra by demonstrating that treating these quantities separately enables fundamental insights into the dynamics of MHD turbulence. This is accomplished through the analysis of the scale-wise energy transfer over time within an implicit large eddy simulation of subsonic, super-Alfvénic MHD turbulence. Our key finding is that the kinetic energy spectrum develops a scaling of approximately k –4/3 in the stationary regime as magnetic tension mediates large-scale kinetic to magnetic energy conversion and significantly suppresses the kinetic energy cascade. This motivates a reevaluation of existing MHD turbulence theories with respect to a more differentiated modeling of the energy fluxes.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

A new measurement method of tritiated water with no radioactive waste- for monitoring post - 15050

A new measurement method has been developed by using a conventional liquid scintillation counter (LSC) with plastic scintillator pellets (PS-pellets) which is used as an alternative material of liquid scintillator. The measurement efficiency (%=cpm/dpm x 100) of PS-pellets with a conventional LSC is as high as using a liquid scintillator. Measurement efficiency of tritiated water was more than 50% by using PS-pellets for LSC without liquid scintillator. Qualitative and quantitative analysis were possible by using PS-pellets for LSC, because the PS-pellets method showed good linearity between the activity and count rate. Also, an end point of a spectrum showed a maximum energy of a radionuclide when one channel estimated 0.5 keV. The PS-pellets were reusable by dipping them in 5% soapsuds of hot water for more than overnight except for a case of measuring for a long elapsed time. So, no radioactive waste of liquid scintillator and PS-pellets is produced with this method.We designed a new field monitor and a monitoring post. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2013

Enhancing e-waste estimates: Improving data quality by multivariate Input–Output Analysis

Highlights: • A multivariate Input–Output Analysis method for e-waste estimates is proposed. • Applying multivariate analysis to consolidate data can enhance e-waste estimates. • We examine the influence of model selection and data quality on e-waste estimates. • Datasets of all e-waste related variables in a Dutch case study have been provided. • Accurate modeling of time-variant lifespan distributions is critical for estimate. - Abstract: Waste electrical and electronic equipment (or e-waste) is one of the fastest growing waste streams, which encompasses a wide and increasing spectrum of products. Accurate estimation of e-waste generation is difficult, mainly due to lack of high quality data referred to market and socio-economic dynamics. This paper addresses how to enhance e-waste estimates by providing techniques to increase data quality. An advanced, flexible and multivariate Input–Output Analysis (IOA) method is proposed. It links all three pillars in IOA (product sales, stock and lifespan profiles) to construct mathematical relationships between various data points. By applying this method, the data consolidation steps can generate more accurate time-series datasets from available data pool. This can consequently increase the reliability of e-waste estimates compared to the approach without data processing. A case study in the Netherlands is used to apply the advanced IOA model. As a result, for the first time ever, complete datasets of all three variables for estimating all types of e-waste have been obtained. The result of this study also demonstrates significant disparity between various estimation models, arising from the use of data under different conditions. It shows the importance of applying multivariate approach and multiple sources to improve data quality for modelling, specifically using appropriate time-varying lifespan parameters. Following the case study, a roadmap with a procedural guideline is provided to enhance e-waste estimation studies.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Dark Energy Survey Year 3 results: A 2.7% measurement of baryon acoustic oscillation distance scale at redshift 0.835

We present angular diameter measurements obtained by measuring the position of baryon acoustic oscillations (BAO) in an optimized sample of galaxies from the first three years of Dark Energy Survey data (DES Y3). The sample consists of 7 million galaxies distributed over a footprint of 4100 deg 2 with 0.6 < z photo < 1.1 and a typical redshift uncertainty of 0.03 ( 1 + z ) . The sample selection is the same as in the BAO measurement with the first year of DES data, but the analysis presented here uses three times the area, extends to higher redshift, and makes a number of improvements, including a fully analytical BAO template, the use of covariances from both theory and simulations, and an extensive preunblinding protocol. We used two different statistics; angular correlation function and power spectrum, and validate our pipeline with an ensemble of over 1500 realistic simulations. Both statistics yield compatible results. We combine the likelihoods derived from angular correlations and spherical harmonics to constrain the ratio of comoving angular diameter distance D M at the effective redshift of our sample to the sound horizon scale at the drag epoch. We obtain D M ( z eff = 0.835 ) / r d = 18.92 ± 0.51 , which is consistent with, but smaller than, the Planck prediction assuming flat Λ CDM , at the level of 2.3 σ . The analysis was performed blind and is robust to changes in a number of analysis choices. It represents the most precise BAO distance measurement from imaging data to date, and is competitive with the latest transverse ones from spectroscopic samples at z > 0.75 . When combined with DES 3 x 2 pt + SNIa , they lead to improvements in H 0 and Ω m constraints by ∼ 20 % .

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

Mass spectrometry-based proteomic analysis of human liver cytochrome(s) P450

The major objective of personalized medicine is to select optimized drug therapies and to a large degree such mission is determined by the expression profiles of cytochrome(s) P450 (CYP). Accordingly, a proteomic case study in personalized medicine is provided by the superfamily of cytochromes P450. Our knowledge about CYP isozyme expression on a protein level is very limited and based exclusively on DNA/mRNA derived data. Such information is not sufficient because transcription and translation events do not lead to correlated levels of expressed proteins. Here we report expression profiles of CYPs in human liver obtained by mass spectrometry (MS)-based proteomic approach. We analyzed 32 samples of human liver microsomes (HLM) of different sexes, ages and ethnicity along with samples of recombinant human CYPs. We have experimentally confirmed that each CYP isozyme can be effectively differentiated by their unique isozyme-specific tryptic peptide(s). Trypsin digestion patterns for almost 30 human CYP isozymes were established. Those findings should assist in selecting tryptic peptides suitable for MS-based quantitation. The data obtained demonstrate remarkable differences in CYP expression profiles. CYP2E1, CYP2C8 and CYP4A11 were the only isozymes found in all HLM samples. Female and pediatric HLM samples revealed much more diverse spectrum of expressed CYPs isozymes compared to male HLM. We have confirmed expression of a number of “rare” CYP (CYP2J2, CYP4B1, CYP4V2, CYP4F3, CYP4F11, CYP8B1, CYP19A1, CYP24A1 and CYP27A1) and obtained first direct experimental data showing expression of such CYPs as CYP2F1, CYP2S1, CYP2W1, CYP4A22, CYP4X1, and CYP26A1 on a protein level. - Highlights: ► First detailed proteomic analysis of CYP isozymes expression in human liver ► Trypsin digestion patterns for almost 30 human CYP isozymes established ► The data obtained demonstrate remarkable differences in CYP expression profiles. ► Female HLM samples revealed more diverse spectrum of CYP isozymes than male. ► First data showing expression of 2F1, 2S1, 2W1, 4A22, 4X1, 26A1 on a protein level.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Analysis of THz generation by multicolor laser pulses with various frequency ratios

Here, terahertz (THz) generation in a gas medium is simulated by quantum calculations with multicolor intense laser pulses of various frequency ratios. By correlating THz radiation with the above-threshold-ionization photoelectron spectrum, we confirm that our previously proposed free-free transition model for the generation of THz radiation is also applicable to multicolor pulses. THz photon emissions can proceed through transitions between continuous states with similar energies that have opposite parities. This mechanism predicts that THz waves can be efficiently generated at special two-color laser frequency ratios when the multiphoton mixing condition is satisfied. Applying this model to multicolor fields (sawtooth wave shape), we provide a quantum-mechanical interpretation for the reason for THz radiation enhancement. A scheme combining multiple lasers to raise THz radiation satisfying multiphoton mixing conditions is also proposed.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

Spin cutoff factor and level density for Ni 59 from an analysis of compound nuclear reactions

The spin cutoff parameter for 59 Ni has been studied from different types of experimental data, including neutron angular distributions from the 56 Fe(α,n) 59 Ni reaction, spin of discrete levels, the level density from the proton evaporation spectrum of the 54 Fe( 6 Li,p) 59 Ni reaction and neutron resonance spacing. Experimental data points were compared with calculations using models widely used in literature. It was found that the available empirical models overestimate data points in the energy region below the neutron separation energy, while microscopic calculations which take into account pairing correlations within Hartree-Fock +Bardeen-Cooper-Schrieffer approach are consistent with data. As a result, it confirmed earlier findings that pairing correlations play an important role and need to be taken into account when the spin cutoff parameter is calculated below the neutron separation energy.

(a,n) reaction↗
DOE OSTI2017

HARMONIC SPACE ANALYSIS OF PULSAR TIMING ARRAY REDSHIFT MAPS

In this paper, we propose a new framework for treating the angular information in the pulsar timing array (PTA) response to a gravitational wave (GW) background based on standard cosmic microwave background techniques. We calculate the angular power spectrum of the all-sky gravitational redshift pattern induced at the Earth for both a single bright source of gravitational radiation and a statistically isotropic, unpolarized Gaussian random GW background. The angular power spectrum is the harmonic transform of the Hellings and Downs curve. We use the power spectrum to examine the expected variance in the Hellings and Downs curve in both cases. Finally, we discuss the extent to which PTAs are sensitive to the angular power spectrum and find that the power spectrum sensitivity is dominated by the quadrupole anisotropy of the gravitational redshift map.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Search for new physics in the τ lepton plus missing transverse momentum final state in proton-proton collisions at $ \sqrt{s}$ = 13 TeV

A search for physics beyond the standard model (SM) in the final state with a hadronically decaying tau lepton and a neutrino is presented. This analysis is based on data recorded by the CMS experiment from proton-proton collisions at a center-of-mass energy of 13 TeV at the LHC, corresponding to a total integrated luminosity of 138 fb$^{–1}$. The transverse mass spectrum is analyzed for the presence of new physics. No significant deviation from the SM prediction is observed. Limits are set on the production cross section of a W' boson decaying into a tau lepton and a neutrino. Lower limits are set on the mass of the sequential SM-like heavy charged vector boson and the mass of a quantum black hole. Upper limits are placed on the couplings of a new boson to the SM fermions. Constraints are put on a nonuniversal gauge interaction model and an effective field theory model. For the first time, upper limits on the cross section of t-channel leptoquark (LQ) exchange are presented. These limits are translated into exclusion limits on the LQ mass and on its coupling in the t-channel. The sensitivity of this analysis extends into the parameter space of LQ models that attempt to explain the anomalies observed in B meson decays. The limits presented for the various interpretations are the most stringent to date. Additionally, a model-independent limit is provided.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

SpectraCodec: A Hilbert curve-based method for encoding metadata in mass spectra for machine learning applications (SpectraCodec) v1

Machine learning approaches to mass spectrometry (MS) data analysis require structured metadata for optimal performance. However, current MS file formats necessitate external metadata sources, creating integration challenges that impede analytical workflows. Here, we present a novel approach for encoding metadata directly within mzML files using one-hot encoding of ASCII characters mapped via Hilbert space-filling curves. This strategy embeds metadata in the first spectrum's m/z-intensity space, ensuring persistence with the primary data, eliminating the need for external metadata files, and maintaining compatibility with existing MS software. We demonstrate that the Hilbert curve mapping efficiently utilizes the two-dimensional spectral space while maintaining robust data recovery. This method offers a practical solution for machine learning applications in mass spectrometry by ensuring metadata and spectral data remain unified through all stages of analysis.

Bowen, Benjamin [Lawrence Berkeley National Labora↗
DOE OSTI2018

Five kHz thermometry in turbulent spray flames using chirped-probe pulse femtosecond CARS, part I: Processing and interference analysis

We have applied chirped-probe-pulse (CPP) femtosecond (fs) coherent anti-Stokes Raman scattering for 5 kHz temperature measurements in turbulent spray flames. The CPP fs CARS technique has previously been used to perform spectroscopic temperature measurements in highly turbulent laboratory burners with excellent accuracy, precision, temporal resolution, and spatial resolution. In this paper, ultrafast CARS measurements in spray flames are presented as part of a larger effort to provide spatially and temporally resolved temperature fields in harsh spray environments. The Sydney Needle Spray Burner (SYNSBURN TM ) was used to stabilize turbulent spray flames of acetone and ethanol. The burner features a retractable fuel injector so that the droplet density at the nozzle exit could be systematically varied. Results from selected regions of the turbulent spray flames are discussed in detail to highlight the challenges of CPP fs CARS temperature measurements. Sources of spectral distortion due to interaction with droplets are discussed along with an uncertainty analysis. The passage of fuel through the probe volume caused varying levels of signal degradation and resulted in complete signal loss on approximately 10% of the laser shots for dense spray conditions. The interferences are attributed to two separate phenomena and are categorized based on the probable phase of the fuel – liquid or gas. Interference caused by liquid fuel was unavoidable in certain regions at certain operating conditions, but easily identified and removed. Interference from vapor fuel was more problematic as the nitrogen signal was only moderately corrupted in the high-frequency portion of the spectrum, and the temperature was generally biased to higher values. Rejecting individual signal spectra, based on a fitting error threshold, was shown to be effective in excluding shots with significant interference from fuel droplets, but shots with only minor interference require a more-advanced rejection criterion. Analysis of the temperature fields for a few selected conditions is presented showing trends with the atomization quality of the liquid fuel. Fourier analysis revealed hydrodynamic instabilities in the shear layer and relatively weak thermoacoustic instabilities in the reaction zone.

42 ENGINEERING↗
DOE OSTI2026

Reviving sub-keV warm dark matter: a UVLF-based analysis

Thermal warm dark matter (WDM) particles with m WDM ≤ 1 keV are ruled out at more than 4σ by multiple observational probes, owing to the strong suppression of small-scale structure induced by early-time free-streaming. Recently, it was highlighted that a small admixture of ∼ 1% (f CDM ∼ 0.01) cold dark matter (CDM) endowed with a blue-tilted isocurvature spectrum could offset the WDM-induced suppression and relax the WDM mass bound by a factor of 𝒪(10). If viable, this “warm + cold-isocurvature” scenario would allow sub-keV WDM particles to constitute nearly the full dark matter abundance while potentially alleviating some small-scale tensions. In this work, we test this mechanism by constraining the WDM mass mWDM while marginalizing over CDM isocurvature parameters. We combine ultraviolet luminosity function measurements from the Hubble Space Telescope and James Webb Space Telescope over redshift 4 ≤ z ≤ 11 with CMB, BAO, and SNe data. For a pure WDM model, our joint analysis yields a lower bound m WDM > 1.8 keV (95% credible intervals). When CDM isocurvature is introduced at f CDM = 0.01, the limit relaxes to m WDM > 0.27 keV (95% credible intervals), reflecting a shallow degeneracy in which blue-tilted isocurvature fluctuations partially compensate for WDM suppression. These results provide new constraints on thermal WDM in the presence of CDM isocurvature fluctuations and quantify the extent to which such fluctuations can mask the small-scale signatures of light relics.

cosmological parameters from CMBR↗
DOE OSTI2026

PIXE – State of the Art, Systems, Challenges

Particle-induced X-ray emission (PIXE) is an analytical technique for elemental analysis in which a charged-particle beam (most commonly protons, but also alpha particles or heavier ions) ionizes inner-shell electrons in target atoms. When these vacancies are filled by outer-shell electrons, the atom emits characteristic X-rays (e.g., Kα, Kβ, L-series) whose energies are unique to each element. Measuring the X-ray spectrum therefore enables identification of the elements present and, with appropriate calibration and modeling, their concentration. PIXE provides rapid, simultaneous, quantitative multi-element detection with trace-level sensitivity for many mid- to high-Z elements, often with minimal sample preparation. It is widely used across materials science (thin films, alloys, corrosion), geology (mineral chemistry, provenance) and environmental monitoring (aerosols, particulates, soils); semiconductor contamination analysis (wafer surface/trace metals), cultural heritage (pigments, inks, archaeological artifacts) and forensics (gunshot residue, glass/pain), and biological/medical studies (tissue/biomaterial trace-element mapping).

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Impacts of Experimentally Obtained Harmonic Spectrums of Residential Appliances on Distribution Feeder: Preprint

This paper focuses on the harmonic load flow study for a set of residential loads and the impacts of the harmonic contents on the distribution feeder. Owing to the increased use of the power electronic based appliances and energy efficient home equipment like the lighting loads, the percentage of non-linear loads has increased in the distribution system which can impact the system performance, loss, and stability. Thus a comprehensive knowledge of their power quality and harmonic analysis is essential to improve the load models, voltage stability assessment, determining possible interactions at harmonic frequencies, protection planning, and the effect of the system impedance. For this study, the household appliances include the lighting, power electronics, resistive, and motor loads with a nominal supply voltage of 120 V single-phase or 240 V split-phase at a nominal frequency of 60 Hz. The harmonic spectrum as obtained from the experimental data is used to solve the harmonic load flow for a detailed secondary network including the distribution transformer extracted from a real distribution feeder's model. Additionally, the impact of the voltage harmonic on a three phase test load is presented through experimental results. The harmonic data of the transformer terminal voltage as obtained from the former load flow study is scaled to generate the source voltage for the three phase configuration of the grid simulator to make the test setup very similar to a real scenario.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2016

fuel cycle cost analysis of Th/U MOX fuel in a block-type HTR - 18619

With a rapid development of nuclear energy in these years, the supply of nuclear fuel is becoming more and more important. Thorium regains attention because of its abundant reserves and excellent physical properties. As a next generation reactor, the high temperature reactor (HTR) is a promising choice for thorium utilization because of its deeper burnup, harder spectrum and better inherent safety. Therefore, a 600 MWth 108-column modular high temperature reactor (MHR) core model with 20%UO{sub 2}-80%ThO{sub 2}; MOX fuel is adapted. A traditional two-step calculation scheme, lattice calculation then core calculation, is used to get the neutronic performance of equilibrium cycle including uranium enrichment and mass of fuel. Using these data, the fuel cycle cost of HTR can be calculated by the levelized lifetime cost method. In order to take into account the variation of unit price, a well-established, standard statistical analysis technique is used by Monte Carlo simulation, (thus, the probability distribution of fuel cycle cost can be obtained. Furthermore, sensitivity calculations are made to analyze the impact on the fuel cycle cost of variations in the unit prices for each fuel cycle component. The result shows that the most influential parameters are unit price of natural uranium, enrichment and discount rate. Finally a comparison of fuel cycle cost between 100%UO{sub 2} and 20%UO{sub 2}-80%ThO{sub 2} MOX fuel is made. The latter is 11% cheaper than the former. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Effective point-charge analysis of crystal fields: Application to rare-earth pyrochlores and tripod kagome magnets 𝑅 ⁢3⁢ Mg⁢ 2 ⁢Sb⁢ 3⁢ O⁢ 14

An indispensable step to understand collective magnetic phenomena in rare-earth compounds is the determination of spatially anisotropic single-ion properties resulting from spin-orbit coupling and crystal field (CF). The CF Hamiltonian has a discrete energy spectrum—accessible to spectroscopic probes such as neutron scattering—controlled by a number of independent parameters reflecting the point symmetry of the magnetic sites. Determining these parameters in low-symmetry systems is often challenging. Here, we describe a general method to analyze CF excitation spectra using adjustable effective point-charges. We benchmark our method to existing neutron-scattering measurements on pyrochlore rare-earth oxides and obtain a universal point-charge model that describes a large family of related materials. We adapt this model to the newly discovered tripod kagome magnets (𝑅 3 ⁢Mg 2 ⁢Sb 3 ⁢O 14 , 𝑅 = Tb, Ho, Er, Yb) for which we report broadband inelastic neutron-scattering spectra. Analysis of these data using adjustable point-charges yields the CF wave functions for each compound. From this, we calculate thermomagnetic properties that accurately reflect our measurements on powder samples and predict the effective gyromagnetic tensor for pseudospin degrees of freedom—a crucial step to understand the exotic collective properties of these kagome magnets at low temperature. We present further applications of our method to other tripod kagome materials and triangular rare-earth compounds 𝑅⁢MgGaO 4 (𝑅 =Yb, Tm). Overall, this study establishes a widely applicable methodology to predict CF and single-ion properties of rare-earth compounds based on interpretable and adjustable models of effective point charges.

Crystal-field theory↗