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At least 163 records · Page 9

All sources NASA NTRS DOE OSTI

DOE OSTI2025

Mechanistic insights into superionic thioarsenate argyrodite solid electrolytes via machine learning interatomic potentials

The lithium argyrodite sulfide solid electrolyte Li 6 PS 5 Cl has attracted considerable interest for all-solid-state batteries owing to its high ionic conductivity, which can be further enhanced through ionic substitution. Although a variety of substitutions have been investigated, thioarsenate argyrodites remain comparatively underexplored. Here, we systematically investigate the phase stability and Li-ion conduction mechanisms in superionic Br-incorporated thioarsenate argyrodites using first-principles calculations and molecular dynamics simulations based on machine learning interatomic potentials (MLIPs). Systematic variation of S/Br site inversion reveals that an optimal degree of anion disorder significantly enhances inter-cage connectivity and facilitates long-range Li-ion diffusion. Configurational entropy serves as an effective quantitative descriptor of anion disorder, exhibiting a strong correlation with ionic conductivity. While greater anion disorder induced by site inversion and higher Br content enhances ionic conductivity up to 50 mS cm −1 , it simultaneously reduces structural stability. This trade-off results in an optimal window in which a moderate level of disorder yields conductivities exceeding 20 mS cm −1 while maintaining synthetic feasibility. In conclusion, this work highlights the reliability and efficiency of MLIPs for elucidating ion-transport mechanisms and accelerating the design of novel superionic argyrodites.

Jang, Myeongcho [Korea Institute of Science and Te↗

DOE OSTI2025

Exploring the onset of collectivity approaching 𝑁=40 with masses of manganese isotopes

Isotopes in the region of the nuclear chart below 68 Ni have been the subject of intense experimental and theoretical effort due to the potential onset of a new “island of inversion” when crossing the harmonic oscillator subshell closure at 𝑁=40. Here, we have measured the masses of 64−68 Mn using TITAN's multiple-reflection time-of-flight mass spectrometer, resulting in the first precision mass measurements of 67 Mn and 68 Mn. These results are compared to ab initio calculations and modern shell model calculations and show an increase in collectivity approaching 𝑁=40.

binding energy & masses↗

DOE OSTI2025

Memristive linear algebra

The advent of memristive devices offers a promising avenue for efficient and scalable analog computing, particularly for linear algebra operations essential in various scientific and engineering applications. This paper investigates the potential of memristive crossbars in implementing matrix inversion algorithms. We explore both static and dynamic approaches, emphasizing the advantages of analog and in-memory computing for matrix operations beyond multiplication. In particular, we demonstrate that the electrical properties of memristive crossbars uniquely suit them for the evolution of a family of matrix exponentials, which can be exploited for the efficient computation of matrix inverses and online solutions for linear problems. Our results demonstrate that memristive arrays can reduce computational complexity. We also study power consumption and show a tradeoff between precision and energy. Furthermore, we address the challenges of device variability, precision, and scalability, providing insights into the practical implementation of these algorithms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1972

Review of the inverse scattering problem at fixed energy in quantum mechanics

Methods of solution of the inverse scattering problem at fixed energy in quantum mechanics are presented. Scattering experiments of a beam of particles at a nonrelativisitic energy by a target made up of particles are analyzed. The Schroedinger equation is used to develop the quantum mechanical description of the system and one of several functions depending on the relative distance of the particles. The inverse problem is the construction of the potentials from experimental measurements.

Sabatier, P. C.↗

NASA NTRS1974

The design and performance of axially symmetrical contoured wall diffusers employing suction boundary layer control

This paper presents a procedure for the design and the performance prediction of axially symmetrical contoured wall diffusers employing suction boundary layer control. An inverse problem approach was used in the potential flow design of the diffuser wall contours. The experimentally observed flow characteristics and the stability of flows within the diffuser are also described. Guidelines for the design of low suction (less than 10 percent of the inlet flow) and thus high effectiveness contoured wall diffusers are also provided based on the results of the experimental program.

Nelson, C. D., Jr.↗

NASA NTRS1975

Gravity fields of the solar system

The most frequently used formulations of the gravitational field are discussed and a standard set of models for the gravity fields of the earth, moon, sun, and other massive bodies in the solar system are defined. The formulas are presented in standard forms, some with instructions for conversion. A point-source or inverse-square model, which represents the external potential of a spherically symmetrical mass distribution by a mathematical point mass without physical dimensions, is considered. An oblate spheroid model is presented, accompanied by an introduction to zonal harmonics. This spheroid model is generalized and forms the basis for a number of the spherical harmonic models which were developed for the earth and moon. The triaxial ellipsoid model is also presented. These models and their application to space missions are discussed.

Zendell, A.↗

NASA NTRS1978

An atlas of Copernicus ultraviolet spectra of Wolf-Rayet stars

An atlas of Copernicus UV scans is presented, and line identifications are tabulated, for the Wolf-Rayet stars Gamma-2 Vel (WC 8 + O7), HD 50896 (= EZ CMa; WN 5), and HD 92740 (WN 7). The atlas covers the wavelength ranges from 946.8 to 3182 A for Gamma-2 Vel, from 1012 to 1294 A for HD 50896, and from 1051 to 1243 A for HD 92740. The wavelengths include corrections for components of satellite velocity, earth velocity, and stellar heliocentric velocity; each spectral feature is classified as interstellar, photospheric, emission, UV-displaced P Cygni line absorption, or P Cygni line emission. UV-edge velocities of the P Cygni profiles are estimated, P Cygni profile types are discussed, and the results are compared with Copernicus scans of OB stars exhibiting UV P Cygni profiles. It is noted that: (1) the line-strength ratio of molecular hydrogen to atomic species appears to be substantially greater in the scans of the WN stars than in the Gamma-2 Vel scans; (2) some of the P Cygni profiles in Gamma-2 Vel differ significantly from the corresponding profiles in OB stars; and (3) there may be a slight inverse correlation between ejection velocities and excitation potentials in Gamma-2 Vel.

Johnson, H. M.↗

NASA NTRS1983

Comparison of model high-lititude electron densities with Millstone Hill observations

The predictions of a high-latitude ionospheric model are compared with the diurnal variations of plasma convection velocities and electron densities observed at Millstone Hill on a geomagnetically moderately active day near equinox. The observed convection pattern was consistent with a two-cell, asymmetric pattern with enhanced plasma flow in the dusk sector, with flow speeds reaching 1.5 km/s. In the dusk strong convection cell, the falloff of the magnetospheric potential with latitude was proportional to the inverse of the sine of colatitude to the fourth power. On the dayside, a region of high density occurred at 500 km in the 1000-1900 LT sector. The nocturnal midlatitude trough was deepest and widest and reached its most equatorward position in the morning sector. The model, which is based on average auroral precipitation fluxes, can describe the gross features of the enhanced densities in the auroral zone.

Sojka, J. J.↗

NASA NTRS1994

Gravity waves in Titan's atmosphere

Scintillations (high frequency variations) observed in the radio signal during the occultation of Voyager 1 by Titan (Hinson and Tyler, 1983) provide information concerning neutral atmospheric density fluctuations on scales on hundreds of meters to a few kilometers. Those seen at altitudes higher than 25 km above the surface were interpreted by Hinson and Tyler as being caused by linear, freely propagating (energy-conserving) gravity waves, but this interpretation was found to be inconsistent with the scintillation data below the 25-km altitude level. Here an attempt is made to interpret the entire scintillation profile between the surface and the 90-km altitude level in terms of gravity waves generated at the surface. Numerical calculations of the density fluctuations caused by two-dimensional, nonhydrostatic, finite-amplitude gravity waves propagating vertically through Titan's atmosphere are performed to produce synthetic scintillation profiles for comparison with the observations. The numerical model accurately treats the effects of wave transience, nonlinearity, and breakdown due to convective instability in the overturned part of the wave. The high-altitude scintillation data were accurately recovered with a freely propagating wave solution, confirming the analytic model of Hinson and Tyler. It is found that the low-altitude scintillation data can be fit by a model where a component of the gravity waves becomes convectively unstable and breaks near the 15 km level. The large-scale structure of the observed scintillation profile in the entire altitude range between 5 and 85 km can be simulated by a model where the freely propagating and breaking waves are forced at the surface simultaneously. Further analysis of the Voyager 1 Titan low-altitude scintillation data, using inversion theory appropriate for strong scattering, could potentially remove some of the ambiguities remaining in this analysis and allow a better determination of the strength and source of the waves.

Friedson, A. James↗

NASA NTRS2000

Remote Sensing of In-Flight Icing Conditions: Operational, Meteorological, and Technological Considerations

Remote-sensing systems that map aircraft icing conditions in the flight path from airports or aircraft would allow icing to be avoided and exited. Icing remote-sensing system development requires consideration of the operational environment, the meteorological environment, and the technology available. Operationally, pilots need unambiguous cockpit icing displays for risk management decision-making. Human factors, aircraft integration, integration of remotely sensed icing information into the weather system infrastructures, and avoid-and-exit issues need resolution. Cost, maintenance, power, weight, and space concern manufacturers, operators, and regulators. An icing remote-sensing system detects cloud and precipitation liquid water, drop size, and temperature. An algorithm is needed to convert these conditions into icing potential estimates for cockpit display. Specification development requires that magnitudes of cloud microphysical conditions and their spatial and temporal variability be understood at multiple scales. The core of an icing remote-sensing system is the technology that senses icing microphysical conditions. Radar and microwave radiometers penetrate clouds and can estimate liquid water and drop size. Retrieval development is needed; differential attenuation and neural network assessment of multiple-band radar returns are most promising to date. Airport-based radar or radiometers are the most viable near-term technologies. A radiometer that profiles cloud liquid water, and experimental techniques to use radiometers horizontally, are promising. The most critical operational research needs are to assess cockpit and aircraft system integration, develop avoid-and-exit protocols, assess human factors, and integrate remote-sensing information into weather and air traffic control infrastructures. Improved spatial characterization of cloud and precipitation liquid-water content, drop-size spectra, and temperature are needed, as well as an algorithm to convert sensed conditions into a measure of icing potential. Technology development also requires refinement of inversion techniques. These goals can be accomplished with collaboration among federal agencies including NASA, the FAA, the National Center for Atmospheric Research, NOAA, and the Department of Defense. This report reviews operational, meteorological, and technological considerations in developing the capability to remotely map in-flight icing conditions from the ground and from the air.

Ryerson, Charles C.↗

NASA NTRS2003

First Year Wilkinson Microwave Anisotropy Probe (WMAP) Observations: Foreground Emission

The WMAP mission has mapped the full sky to determine the geometry, content, and evolution of the universe. Full sky maps are made in five microwave frequency bands to separate the temperature anisotropy of the cosmic microwave background (CMB) from foreground emission, including diffuse Galactic emission and Galactic and extragalactic point sources. We define masks that excise regions of high foreground emission, so CMB analyses can became out with minimal foreground contamination. We also present maps and spectra of the individual emission components, leading to an improved understanding of Galactic astrophysical processes. The effectiveness of template fits to remove foreground emission from the WMAP data is also examined. These efforts result in a CMB map with minimal contamination and a demonstration that the WMAP CMB power spectrum is insensitive to residual foreground emission. We use a Maximum Entropy Method to construct a model of the Galactic emission components. The observed total Galactic emission matches the model to less than 1% and the individual model components are accurate to a few percent. We find that the Milky Way resembles other normal spiral galaxies between 408 MHz and 23 GHz, with a synchrotron spectral index that is flattest (beta(sub s) approx. -2.5) near star-forming regions, especially in the plane, and steepest (beta(sub s) approx. -3) in the halo. This is consistent with a picture of relativistic cosmic ray electron generation in star-forming regions and diffusion and convection within the plane. The significant synchrotron index steepening out of the plane suggests a diffusion process in which the halo electrons are trapped in the Galactic potential long enough to suffer synchrotron and inverse Compton energy losses and hence a spectral steepening. The synchrotron index is steeper in the WMAP bands than in lower frequency radio surveys, with a spectral break near 20 GHz to beta(sub s) less than -3. The modeled thermal dust spectral index is also steep in the WMAP bands, with beta(sub d) approx. = 2.2. Our model is driven to these conclusions by the low level of total foreground contamination at approx. 60 GHz. Microwave and Ha measurements of the ionized gas agree well with one another at about the expected levels. Spinning dust emission is limited to less than 5% of the Ka-band foreground emission. A catalog of 208 point sources is presented. The reliability of the catalog is 98%, i.e., we expect five of the 208 sources to be statistically spurious. The mean spectral index of the point sources is alpha approx. 0(beta approx. -2). Derived source counts suggest a contribution to the anisotropy power from unresolved sources of (15.0 +/- 1.4) x 10(exp -3)micro sq K sr at Q-band and negligible levels at V-band and W-band. The Sunyaev-Zeldovich effect is shown to be a negligible "contamination" to the maps.

Bennett, C. L.↗

DOE OSTI2023

Field evaluation of semi‐automated moisture estimation from geophysics using machine learning

Geophysical methods can provide three-dimensional (3D), spatially continuous estimates of soil moisture. However, point-to-point comparisons of geophysical properties to measure soil moisture data are frequently unsatisfactory, resulting in geophysics being used for qualitative purposes only. This is because (1) geophysics requires models that relate geophysical signals to soil moisture, (2) geophysical methods have potential uncertainties resulting from smoothing and artifacts introduced from processing and inversion, and (3) results from multiple geophysical methods are not easily combined within a single soil moisture estimation framework. To investigate these potential limitations, an irrigation experiment was performed wherein soil moisture was monitored through time, and several surface geophysical datasets indirectly sensitive to soil moisture were collected before and after irrigation: ground penetrating radar, electrical resistivity tomography (ERT), and frequency domain electromagnetics (FDEM). Data were exported in both raw and processed form, and then snapped to a common 3D grid to facilitate moisture prediction by standard calibration techniques, multivariate regression, and machine learning. A combination of inverted ERT data, raw FDEM, and inverted FDEM data was most informative for predicting soil moisture using a random regression forest model (one-thousand 60/40 training/test cross-validation folds produced root mean squared errors ranging from 0.025–0.046 cm 3 /cm 3 ). This cross-validated model was further supported by a separate evaluation using a test set from a physically separate portion of the study area. Machine learning was conducive to a semi-automated model-selection process that could be used for other sites and datasets to locally improve accuracy.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Impact of nutritional history, prey quality, and quantity on grazing and photophysiological responses in the mixoplanktonic dinoflagellate Karenia brevis

The mixotrophic toxic dinoflagellate Karenia brevis forms red tides almost annually along Florida's Gulf coast. We hypothesize that the nutritional status and abundance of its prey, the picocyanobacterium Synechococcus , will affect its feeding rates and growth responses, with implications for bloom dynamics. This study investigated how prey nutritional quality and quantity (absolute and relative) impact grazing rates by K. brevis initially exponentially growing and in nitrogen (N)-limited conditions, and how grazing, in turn, affects the photophysiological responses of predator and prey. Prey quality was manipulated by providing Synechococcus grown under different ratios of N : phosphorus (P). Synechococcus quality did not significantly affect ingestion rates (measured as prey death rate) but grazing rates increased with increasing prey : grazer ratios (R 2 = 0.7). Compared to control, the growth of exponentially growing grazers doubled when Synechococcus was provided, whereas there was no growth enhancement when Synechococcus of varying qualities was provided to N-limited, chemostat-seeded grazers. Despite this doubled growth, 15 N labeling of the prey and nanoscale secondary ion mass spectrometry (nanoSIMS) detected low Synechococcus -N transfer into grazer biomass after 3 d (< 1% on a cell basis). This suggests the potential of grazers benefiting from alternative N sources (e.g., microbiome-N) or other constituents (e.g., vitamins or metals) not measured in this study. Prey photosynthetic efficiency declined under grazing conditions, demonstrating that grazers can directly affect prey abundance through grazing and indirectly affect prey photophysiology, potentially via allelopathy, supporting previous findings of an inverse relationship between grazers and prey along the Florida Gulf Coast.

Ahn, So Hyun [Univ. of Maryland, Cambridge, MD (Un↗

DOE OSTI2025

Accelerating magnonic simulations with the pseudospectral Landau-Lifshitz equation

The pseudospectral Landau-Lifshitz (PS-LL) model can describe atomic-scale magnetic exchange interactions within a continuum framework. This is achieved by employing a convolution kernel that models the nonlocal interaction in a grid-independent manner. Even though the PS-LL was originally introduced to address atomic exchange, any nonlocal kernel can be modeled. In the field of magnonics, the dipole field is fundamental to describe the dispersion relation of magnons, the quasiparticle representation of angular momentum. Because dipole-dipole interactions are long-range, numerical approaches typically rely on convolutions. Here, we demonstrate that the PS-LL model can be used to perform magnonic simulations with a single convolution kernel derived from analytical solutions. We demonstrate a twofold increase in computational speed compared with the full dipole calculation. This approach is valid insofar as the excitations are linear, which is typically the case for magnons. Our results have the potential to accelerate magnonic research, particularly for the inverse design method, where several simulations must be performed to achieve the desired outcome.

Mathematics and computing↗

DOE OSTI2026

Algorithm to extract direction in 2D discrete distributions and a continuous Frobenius norm

In this study, we present a novel algorithm for determining directionality in 2D distributions of discrete data. We compare a reference dataset with a known direction to a measured dataset with an unknown direction by the Frobenius norm of the difference (FND) to find the unknown direction. To generalize this concept, we develop a continuous Frobenius norm of the difference (CFND) as a continuous analog of the FND and derive its analytical expression. By relating fitted and normalized 2D Gaussian distributions, we show that the CFND approximates the FND, and we validate this relationship with computer simulations. We find that a first-order approximation of the CFND between two similar Gaussian distributions takes the form of an absolute sine function, offering a simple analytical form with potential applications in specialized areas such as segmented inverse beta decay neutrino detectors, astronomy, machine learning, and more. Our methodology consists of modeling a 2D Gaussian distribution, binning the data into a histogram, and encoding it as a square matrix. Rotating this matrix around its geometric center and comparing it to a measured dataset using the FND gives us rotational data that we fit with an absolute sine function. The location of the minimum of this fit is the angle closest to the true angle of the direction in the measured dataset. We present the derivation and discuss initial applications of the CFND in our novel algorithm, demonstrating its success in approximating directionality in 2D distributions.

Physics↗

DOE OSTI2022

ECEI characterization of pedestal fluctuations in quiescent H-mode plasmas in DIII-D

Here, electron cyclotron emission imaging (ECEI) is employed to characterize the magneto hydraulics dynamics (MHD) fluctuations at the quiescent H-mode pedestals in DIII-D. Pedestal MHD fluctuations cause ECE radiation temperature fluctuations $\delta {T_{e{\text{,rad}}}}$ in both the pedestal and scrape-off-layer (SOL). A synthetic ECE platform is utilized for detailed interpretation of the ECEI signals in the SOL and pedestal regions. It is observed that the ECE radiation $\delta {T_{e{\text{,rad}}}}$, which is located in the SOL region according to the cold and optically thick plasma resonance assumption, is extremely sensitive to MHD radial displacements near the separatrix, exhibiting radiation inversion to $\delta {T_{e{\text{,rad}}}}$ at the pedestal. Here, the radiation inversion refers to the opposite phase between the radiation fluctuation at the pedestal and the radiation fluctuation at the SOL. Consequently, the quasi-coherent MHD (QCM), which displays a radiation inversion, is found to be consistent with an MHD radial structure that has a strong displacement near the separatrix. In contrast, the edge harmonic oscillation (EHO), which displays weak or no inversion, is found to be consistent with an MHD radial displacement structure peaking at the pedestal top. The ECEI data, interpreted with synthetic ECE, are in qualitative agreement with beam emission spectroscopy measurements on DIII-D for the relative radial extent and localization of the EHO and QCM. The high sensitivity of ECE radiation to separatrix displacements can be used to detect turbulence or MHD fluctuations near the separatrix, which may affect the transport across the separatrix and the wetted area in the divertor. The $\delta {T_{e{\text{,rad}}}}$ inversion measured with an ECE or ECEI system potentially provides important information on the magnetic field $\left| {{B_{{\text{sep}}}}} \right|$ at the separatrix, which helps constrain the pedestal equilibrium reconstruction and achieve an unambiguous mapping of the ECE/ECEI system with respect to the separatrix.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Long-Lived Population Inversion in Resonantly Driven Excitonic Antiferromagnet

Van der Waals magnets are an emerging material family for investigating light-matter interactions and spin-correlated excitations. Here, we report the discovery of a photo-induced state with a lifetime of 17 ps in the van der Waals antiferromagnet NiPS 3 , which appears exclusively with resonant pumping at 1.476 eV in the antiferromagnetic state. Furthermore, the long-lived state comes with a negative photoconductivity, a characteristic optical response of population inversion. Our findings demonstrate a promising pathway to potentially achieve long-lived lasing at terahertz frequencies in reduced dimensions.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Extreme Scale Infrasound Inversion and Prediction for Weather Characterization and Acute Event Detection

Accurate and timely weather predictions are critical to many aspects of society with a profound impact on our economy, general well-being, and national security. In particular, our ability to forecast severe weather systems is necessary to avoid injuries and fatalities, but also important to minimize infrastructure damage and maximize mitigation strategies. The weather community has developed a range of sophisticated numerical models that are executed at various spatial and temporal scales in an attempt to issue global, regional, and local forecasts in pseudo real time. The accuracy however depends on the time period of the forecast, the nonlinearities of the dynamics, and the target spatial resolution. Significant uncertainties plague these predictions including errors in initial conditions, material properties, data, and model approximations. To address these shortcomings, a continuous data collection occurs at an effort level that is even larger than the modeling process. It has been demonstrated that the accuracy of the predictions depends on the quality of the data and is independent to a certain extent on the sophistication of the numerical models. Data assimilation has become one of the more critical steps in the overall weather prediction business and consequently substantial improvements in the quality of the data would have transformational benefits. This paper describes the use of infrasound inversion technology, enabled through exascale computing, that could potentially achieve orders of magnitude improvement in data quality and therefore transform weather predictions with significant impact on many aspects of our society.

58 GEOSCIENCES↗