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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 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Understanding the Unique Reactivity of Cu for Electrochemical CO 2 Reduction with a 3-Site Model

Cu-based catalysts for the electrochemical reduction of CO 2 and CO exhibit a perplexingly unique reactivity toward multicarbon based products compared to other studied electrocatalysts. Here, in this study, we use insights gained from a recent phenomenological 3-site microkinetic model and grand-canonical density functional theory calculations to clarify the importance of an underemphasized aspect critical to Cu’s unique reactivity: a population of so-called “reservoir” sites. Using model Cu surface motifs, we discuss how these types can be represented by undercoordinated structural defects like step edges and grain boundaries which form a network of highly anisotropic migration channels. These pathways are found to be amenable for feeding *CO over time to reactive sites like Cu adatoms more active toward C–C coupling. These results highlight an often overlooked aspect of catalyst optimization: reservoir site engineering, which exploits surface mobility and presents an equally important avenue for electrocatalyst engineering oversimply maximizing active site densities.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Spin dynamics of the antiferromagnetic Heisenberg model on a kagome bilayer

We research the spin dynamics of a classical Heisenberg antiferromagnet with nearest-neighbor interactions on a quasi-two-dimensional kagome bilayer. This geometrically frustrated lattice consists of two kagome layers connected by a triangular-lattice linking layer. By combining Monte Carlo with precessional spin dynamics simulations, we compute the dynamical structure factor of the classical spin liquid in the kagome bilayer and investigate the thermal and dilution effects. While the low-frequency and long-wavelength dynamics of the cooperative paramagnetic phase is dominated by spin diffusion, weak magnon excitations persist at higher energies, giving rise to the half-moon pattern in the dynamical structure factor. In the presence of spin vacancies, the dynamical properties of the diluted system can be understood within the two-population picture. The spin diffusion of the “correlated” spin clusters is mainly driven by the zero-energy weather-vane modes, giving rise to an autocorrelation function that decays exponentially with time. On the other hand, the diffusive dynamics of the quasifree “orphan” spins leads to a distinctive longer-time power-law tail in the autocorrelation function. We discuss the implications of our work for the glassy behaviors observed in the archetypal frustrated magnet SrCr 9p Ga 12-9 pO 19 (SCGO).

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Virus diversity and activity is driven by snowmelt and host dynamics in a high-altitude watershed soil ecosystem

Background: Viruses impact nearly all organisms on Earth, including microbial communities and their associated biogeochemical processes. In soils, highly diverse viral communities have been identified, with a global distribution seemingly driven by multiple biotic and abiotic factors, especially soil temperature and moisture. However, our current understanding of the stability of soil viral communities across time and their response to strong seasonal changes in environmental parameters remains limited. Here, we investigated the diversity and activity of environmental soil DNA and RNA viruses, focusing especially on bacteriophages, across dynamics’ seasonal changes in a snow-dominated mountainous watershed by examining paired metagenomes and metatranscriptomes. Results: We identified a large number of DNA and RNA viruses taxonomically divergent from existing environmental viruses, including a significant proportion of fungal RNA viruses, and a large and unsuspected diversity of positive single-stranded RNA phages ( Leviviricetes ), highlighting the under-characterization of the global soil virosphere. Among these, we were able to distinguish subsets of active DNA and RNA phages that changed across seasons, consistent with a “seed-bank” viral community structure in which new phage activity, for example, replication and host lysis, is sequentially triggered by changes in environmental conditions. At the population level, we further identified virus-host dynamics matching two existing ecological models: “Kill-The-Winner” which proposes that lytic phages are actively infecting abundant bacteria, and “Piggyback-The-Persistent” which argues that when the host is growing slowly, it is more beneficial to remain in a dormant state. The former was associated with summer months of high and rapid microbial activity, and the latter with winter months of limited and slow host growth. Conclusion: Taken together, these results suggest that the high diversity of viruses in soils is likely associated with a broad range of host interaction types each adapted to specific host ecological strategies and environmental conditions. As our understanding of how environmental and host factors drive viral activity in soil ecosystems progresses, integrating these viral impacts in complex natural microbiome models will be key to accurately predict ecosystem biogeochemistry.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1980

X-ray emission from the winds of hot stars

A phenomenological theory is proposed for the structure of the unstable line-driven winds of early-type stars. These winds are conjectured to break up into a population of blobs that are being radiatively driven through, and confined by ram pressure of an ambient gas that is not itself being radiatively driven. Radiation from the bow shocks preceding the blobs can account for the X-ray luminosity of zeta Puppis. The theory breaks down when used to model the much lower density wind of tau Scorpii, for then the blobs are destroyed by heat conduction from shocked gas. This effect explains why the profiles of this star's UV resonance lines depart from classical P Cygni form.

Lucy, L. B.↗
NASA NTRS1988

OPSMODEL, an or-orbit operations simulation modeling tool for Space Station

The 'OPSMODEL' operations-analysis and planning tool simulates on-orbit crew operations for the NASA Space Station, furnishing a quantitative measure of the effectiveness of crew activities in various alternative Station configurations while supporting engineering and cost analyses. OPSMODEL is entirely data-driven; the top-down modeling structure of the software allows the user to control both the content and the complexity level of model definition during data base population. Illustrative simulation samples are given.

Davis, William T.↗
NASA NTRS1993

Polytropic relationship in interplanetary magnetic clouds

High time-resolution data from the ISEE 3 and IMP 8 spacecraft are presented for the magnetic field and the proton and electron populations of a number of magnetic clouds, in order to investigate such clouds' thermodynamics and the relationship between their magnetic and thermodynamic structures. It is judged on the basis of these data that while the magnetic flield of the cloud expands, the ions are cooled. Hot electrons are trapped by the magnetic field in the magnetic cloud's core. These conditions are favorable for the generation of ion-acoustic waves.

Osherovich, V. A.↗
NASA NTRS2005

Lunar and Planetary Science XXXVI, Part 6

Contents include the following: A Model for Multiple Populations of Presolar Diamonds. Characterization of Martian North Polar Geologic Units Using Mars Odyssey THEMIS Data. Effect of Flow on the Internal Structure of the Martian North Polar Layered Deposits. Elemental Abundance Distributions in Basalt Clays and Meteorites: Is It a Biosignature? Early Results on the Saturn System from the Composite Infrared Spectrometer. NanoSIMS D/H Imaging of Isotopically Primitive Interplanetary Dust Particles. Presolar (Circumstellar and Interstellar) Phases in Renazzo: The Effects of Parent Body Processing. Catastrophic Disruption of Hydrated Targets: Implications for the Hydrated Asteroids and for the Production of Interplanetary Dust Particles. Chemical and Mineralogical Analyses of Particles from the Stratospheric Collections Coinciding with the 2002 Leonid Storm and the 2003 Comet Grigg-Skjellerup Trail Passage. An Analysis of the Solvus in the CaS-MnS System. ESA s SMART-1 Mission at the Moon: First Results, Status and Next Steps. Europa Analog Ice-splitting Measurements and Experiments with Ice-Hunveyor on the Frozen Balaton-Lake, Hungary. Chromium on Eros: Further Evidence of Ordinary Chondrite Composition. Dust Devil Tracks on Mars: Observation and Analysis from Orbit and the Surface. Spatial Variation of Methane and Other Trace Gases Detected on Mars: Interpretation with a General Circulation Model. Mars Water Ice and Carbon Dioxide Seasonal Polar Caps: GCM Modeling and Comparison with Mars Express Omega Observations. Component Separation of OMEGA Spectra with ICA. Clathrate Formation in the Near-Surface Environment of Titan. Space Weathering: A Proposed Laboratory Approach to Explaining the Sulfur Depletion on Eros. Sample Collection from Small Airless Bodies: Examination of Temperature Constraints for the TGIP. Sample Collector for the Hera Near-Earth Asteroid Sample Return Mission. A Rugged Miniature Mass-Spectrometer for Measuring Aqueous Geochemistry on Mars. Martian and Lunar Pyroxene Microstructures Studied by Single-Crystal X-Ray Diffraction.

Source record↗
DOE OSTI2022

Inferring Structural Parameters of Low-Surface-Brightness-Galaxies with Uncertainty Quantification using Bayesian Neural Networks

Measuring the structural parameters (size, total brightness, light concentration, etc.) of galaxies is a significant first step towards a quantitative description of different galaxy populations. In this work, we demonstrate that a Bayesian Neural Network (BNN) can be used for the inference, with uncertainty quantification, of such morphological parameters from simulated low-surface-brightness galaxy images. Compared to traditional profile-fitting methods, we show that the uncertainties obtained using BNNs are comparable in magnitude, well-calibrated, and the point estimates of the parameters are closer to the true values. Our method is also significantly faster, which is very important with the advent of the era of large galaxy surveys and big data in astrophysics.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Assessment of Measurement Uncertainties in the Jupiter High-240 Experiment

The Jupiter High-240 experiment performed in May of 2019 was previously discussed as a variant of the original Jupiter experiment incorporating plutonium metal alloy fuel plates with higher 240Pu content and lead plates, using both a reference configuration and a second configuration where eight lead plates were replaced with aluminum to simulate voiding. Measurements were recorded for experiment period, the “pressure” of the Comet ram upon closure for each near-critical measurement, and temperature. The experiment reactor period is the time it would take to increase the neutron population by a factor of e. For this experiment, the copper reflectors and upper third of the fuel sits upon a support structure with the lower fuel arrays raised up into the center of the reflectors using a ram (see Fig. 1). The recorded logbook temperature for each measurement corresponds to a resistance temperature detector (RTD) located at the top center of the upper fuel array. This paper summarizes the evaluated uncertainties for the Jupiter High 240 experiment as contributed via the recorded measurements and nuclear data and their assessed impact upon the computation of system reactivity and eigenvalue.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1979

A unified kinetic model of the tangential magnetopause structure

In the self-consistent model of the tangential magnetopause, formulated in the present paper on the basis of the Vlasov-Maxwell equations, the plasmas on both sides are magnetized and the magnetic field is everywhere parallel to the magnetopause (i.e., the normal field component is zero) and rotates through an arbitrary angle across the magnetopause. It is shown that the thickness of the magnetopause is greater than the gyroradius of the plasma ions. The presence of a trapped particle population within the magnetopause is shown to be required to allow the magnetic field to rotate more than a certain critical angle (-90 degrees). The model proposed can reproduce the observed features of the tangential magnetopause structure by specifying boundary conditions on both sides of the magnetopause.

Lee, L. C.↗
DOE OSTI2024

Ne 21 energy levels approaching the α -particle threshold

Nuclei around Ne 20 exhibit an interplay of different excitations caused by different aspects of nuclear structure, including single-particle and multiparticle configurations and collective rotations. One-nucleon transfer reactions selectively probe single-particle structures in these nuclei. These nuclei are also important to astrophysics, with a number of important reactions proceeding through this mass region. Energy levels approaching the α -particle threshold in Ne 21 are of importance to nuclear structure. The Ne 20 ( d , p ) Ne 21 reaction was measured and the corresponding spectroscopic nuclear information was extracted. States in Ne 21 were populated using the Ne 20 ( d , p ) Ne 21 reaction in forward kinematics. Protons were identified in the Triangle Universities Nuclear Laboratory (TUNL) Enge split-pole spectrograph and angular distributions were extracted. Spin-party assignments were made and neutron partial widths were determined based on distorted-wave Born approximation (DWBA) analysis. Several new energy levels were observed at energies of 7176, 7235, 7250, and 7337 keV, and spin-parities are reported which generally agree with previous results where literature was available. Spin and parity assignments are reported for several energy levels along with estimated neutron widths for those states above the neutron threshold ( S n = 6761 keV ). Results from this study are placed in context with a review of the available literature on all known states in this energy region of Ne 21 . Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Exploring 𝛽 decay and 𝛽-delayed neutron emission in exotic 46,47 Cl isotopes

In this paper, 𝛽 − and 𝛽-delayed neutron decays of 46,47 Cl are reported from an experiment carried out at the National Superconducting Cyclotron Laboratory using the Beta Counting System. The half-lives of both 46 Cl and 47 Cl were extracted. Based on the delayed 𝛾-ray transitions observed, the level structure of 𝑁=28 46 Ar was determined. Completely different sets of excited states above the first 2 + state in 46 Ar were populated in the 46 Cl 𝛽⁢0⁢𝑛 and 47 Cl 𝛽⁢1⁢𝑛 decay channels. Two new 𝛾-ray transitions in 47 Ar were identified from the very weak 47 Cl 𝛽⁢0⁢𝑛 decay. Furthermore, 46 Cl 𝛽⁢1⁢𝑛 and 47 Cl 𝛽⁢2⁢𝑛 were also observed to yield different population patterns for levels in 45 Ar, including states of different parities. Here, the experimental results allow us to address some of the open questions related to the delayed neutron emission process. For isotopes with large neutron excess and high 𝑄 𝛽 values, delayed neutron emission remains an important decay mode and can be utilized as a powerful spectroscopic tool. Experimental results were compared with shell-model calculations using the FSU and 𝑉 MU effective interactions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1978

Electronic structure of CaO. I

Electronic wavefunctions for 15 states of CaO arising (nominally) from six electron occupancies are calculated at the single configuration (sc) SCF level and analyzed qualitatively in terms of Mulliken populations and an approximate overlap criterion. The accuracy of the sc approximation is assessed and shown to be highly inadequate in several cases. Approximate Te's are extracted from these results when warranted by the quality of the sc wavefunctions. An improved two configuration wavefunction for the lowest 1 Sigma + state is also determined and discussed in detail.

Bauschlicher, C. W., Jr.↗
NASA NTRS1999

Modeling of THz Lasers Based on Intersubband Transitions in Semiconductor Quantum Wells

In semiconductor quantum well structures, the intersubband energy separation can be adjusted to the terahertz (THz) frequency range by changing the well width and material combinations. The electronic and optical properties of these nanostructures can also be controlled by an applied dc electric field. These unique features lead to a large frequency tunability of the quantum well devices. In the on-going project of modeling of the THz lasers, we investigate the possibility of using optical pumping to generate THz radiation based on intersubband transitions in semiconductor quantum wells. We choose the optical pumping because in the electric current injection it is difficult to realize population inversion in the THz frequency range due to the small intersubband separation (4-40 meV). We considered both small conduction band offset (GaAs/AlGaAs) and large band offset (InGaAs/AlAsSb) quantum well structures. For GaAs/AlGaAs quantum wells, mid-infrared C02 lasers are used as pumping sources. For InGaAs/AlAsSb quantum wells, the resonant intersubband transitions can be excited by the near-infrared diode lasers. For three- and four-subband quantum wells, we solve the pumpfield-induced nonequilibrium distribution function for each subband of the quantum well system from a set of rate equations that include both intrasubband and intersubband relaxation processes. Taking into account the coherent interactions between pump and THz (signal) waves, we calculate the optical gain for the THz field. The gain arising from population inversion and stimulated Raman processes is calculated in a unified manner. A graph shows the calculated THz gain spectra for three-subband GaAs/AlGaAs quantum wells. We see that the coherent pump and signal wave interactions contribute significantly to the gain. The pump intensity dependence of the THz gain is also studied. The calculated results are shown. Because of the optical Stark effect and pump-induced population redistribution, the maximum THz gain saturates at larger pump intensities.

Liu, Ansheng↗
DOE OSTI2021

Quantifying Turbine-Level Risk to Golden Eagles Using a High-Fidelity Updraft Model and a Stochastic Behavioral Model

To minimize the effects of wind farms on Golden Eagle (Aquila chrysaetos) populations while enabling sustainable development of renewable energy resources, it is important to understand how eagles interact with atmospheric flows, terrain features, and anthropogenic structures. Models that predict migratory flight paths provide one tool that helps us grasp how the location of wind farms may influence interactions and impacts on migrating Golden Eagles. The current state-of-the-art in predicting migratory flight paths uses a deterministic fluid-flow analogy to predict eagle trajectory using only an orographic updraft potential computed from topographical features. This model does not take into account variables, such as thermal updrafts and time varying atmospheric conditions that are known to influence migratory behavior. In this work, we improve on the model with the objective of developing tools that advance our understanding of how atmospheric flows and terrain features affect migratory eagle behavior and their interactions with wind farms. Specifically, we 1) incorporate both orographic and thermal updraft information in simulating eagle flight paths; 2) incorporate stochasticity into eagle travel patterns to better capture the influence of exogenous factors on, and the inherent stochasticity of eagle behavior; 3) consider spatio-temporal atmospheric data at wind-farm-scale when computing updraft potential; and 4) account for how atmospheric conditions and the direction of migration change seasonally and how these changes affect eagle migratory flight behavior. We tested the model using a 50km by 50km region with 50 m resolution in the western United States. We simulated 900 independent, probabilistic eagle tracks during southerly and northerly migration, assuming eagles solely rely on orographic updrafts. The preliminary results indicate that the inclusion of finer resolution atmospheric data allows for the inclusion of realistic conditions that an eagle experiences. The stochasticity in eagle tracks provides a platform to include uncertainty in eagle decision making and help produce robust eagle presence maps. We will deploy updraft and downdraft velocities computed using a high-fidelity, wind farm scale, computational fluid dynamics solver under development at National Renewable Energy Laboratory. This work is a first step in the development of a predictive and generalizable eagle behavior model at the wind farm scale that does not rely on empirical data collection. Although the current model is intended for migratory eagles, we will extend and refine this model to inform the development of additional behavioral modes, including resident eagle behavior. This modeling approach improves our ability to understand eagle use of the landscape at a fine scale, and it is our hope that this work will ultimately help advance strategies that minimize the impact of wind development on Golden Eagle populations.

49 EE - Wind and Water Power Program - Wind (EE-4W↗
DOE OSTI2023

Computational tools for the simulation and analysis of spin-polarized EPR spectra

The EPR spectra of paramagnetic species induced by photoexcitation typically exhibit enhanced absorptive and emissive features resulting from sublevel populations that differ from thermal equilibrium. The populations and the resulting spin polarization of the spectra are dictated by the selectivity of the photophysical process generating the observed state. Simulation of the spin-polarized EPR spectra is crucial in the characterization of both the dynamics of formation of the photoexcited state as well as its electronic and structural properties. EasySpin, the simulation toolbox for EPR spectroscopy, now includes extended support for the simulation of the EPR spectra of spin-polarized states of arbitrary spin multiplicity and formed by a variety of different mechanisms, including photoexcited triplet states populated by intersystem crossing, charge recombination or spin polarization transfer, spin-correlated radical pairs created by photoinduced electron transfer, triplet pairs formed by singlet fission and multiplet states arising from photoexcitation in systems containing chromophores and stable radicals. In this paper, we highlight EasySpin’s capabilities for the simulation of spin-polarized EPR spectra on the basis of illustrative examples from the literature in a variety of fields ranging across chemistry, biology, material science and quantum information science.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2007

The Space Infrared Interferometric Telescope (SPIRIT): High-resolution Imaging and Spectroscopy in the Far-infrared

We report results of a recently-completed study of SPIRIT, a candidate NASA Origins Probe. SPIRIT is a spatial and spectral interferometer with an operating wavelength range 25 - 400 microns. SPIRIT will provide sub-arcsecond resolution images and spectra with resolution R = 3000 in a 1 arcmin field of view to accomplish three primary scientific objectives: (1) Learn how planetary systems form from protostellar disks, and how they acquire their chemical organization; (2) Characterize the family of extrasolar planetary systems by imaging the structure in debris disks to understand how and where planets form, and why some planets are ice giants and others are rocky; and (3) Learn how high-redshift galaxies formed and merged to form the present-day population of galaxies. Observations with SPIRIT will be complementary to those of the James Webb Space Telescope and the ground-based Atacama Large Millimeter Array. All three observatories could be operational contemporaneously. SPIRIT will pave the way to the 1 km maximum baseline interferometer known as the Submillimeter Probe of the Evolution of Cosmic Structure (SPECS). In addition to the SPIRIT mission concept, this talk will emphasize the importance of dense u-v plane coverage and describe some of the practical considerations associated with alternative interferometric baseline sampling schemes.

Leisawitz, D,↗
NASA NTRS1994

The evolution of voids in the adhesion approximation

We apply the adhesion approximation to study the formation and evolution of voids in the universe. Our simulations-carried out using 128(exp 3) particles in a cubical box with side 128 Mpc-indicate that the void spectrum evolves with time and that the mean void size in the standard Cosmic Background Explorer Satellite (COBE)-normalized cold dark matter (CDM) model with H(sub 50) = 1 scals approximately as bar D(z) = bar D(sub zero)/(1+2)(exp 1/2), where bar D(sub zero) approximately = 10.5 Mpc. Interestingly, we find a strong correlation between the sizes of voids and the value of the primordial gravitational potential at void centers. This observation could in principle, pave the way toward reconstructing the form of the primordialpotential from a knowledge of the observed void spectrum. Studying the void spectrum at different cosmological epochs, for spectra with a built in k-space cutoff we find that the number of voids in a representative volume evolves with time. The mean number of voids first increases until a maximum value is reached (indicating that the formation of cellular structure is complete), and then begins to decrease as clumps and filaments erge leading to hierarchical clustering and the subsequent elimination of small voids. The cosmological epoch characterizing the completion of cellular structure occurs when the length scale going nonlinear approaches the mean distance between peaks of the gravitaional potential. A central result of this paper is that voids can be populated by substructure such as mini-sheets and filaments, which run through voids. The number of such mini-pancakes that pass through a given void can be measured by the genus characteristic of an individual void which is an indicator of the topology of a given void in intial (Lagrangian) space. Large voids have on an average a larger measure than smaller voids indicating more substructure within larger voids relative to smaller ones. We find that the topology of individual voids is strongly epoch dependent, with void topologies generally simplifying with time. This means that as voids grow older they become progressively more empty and have less structure within them. We evaluate the genus measure both for individual voids as well as for the entire ensemble of voids predicted by CDM model. As a result we find that the topology of voids when taken together with the void spectrum is a very useful statistical indicator of the evolution of the structure of the universe on large scales.

Sahni, Varun↗