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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 991 records · Page 55
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Direct observation of the magnetic anisotropy of an Fe(II) spin crossover molecular thin film

Abstract In this work, we provide clear evidence of magnetic anisotropy in the local orbital moment of a molecular thin film based on the SCO complex [Fe(H 2 B(pz) 2 ) 2 (bipy)] (pz = pyrazol−1−yl, bipy = 2,2′−bipyridine). Field dependent x-ray magnetic circular dichroism measurements indicate that the magnetic easy axis for the orbital moment is along the surface normal direction. Along with the presence of a critical field, our observation points to the existence of an anisotropic energy barrier in the high-spin state. The estimated nonzero coupling constant of ∼2.47 × 10 −5 eV molecule −1 indicates that the observed magnetocrystalline anisotropy is mostly due to spin–orbit coupling. The spin- and orbital-component anisotropies are determined to be 30.9 and 5.04 meV molecule −1 , respectively. Furthermore, the estimated g factor in the range of 2.2–2.45 is consistent with the expected values. This work has paved the way for an understanding of the spin-state-switching mechanism in the presence of magnetic perturbations.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

A catalogue of white dwarfs in Gaia EDR3

ABSTRACT We present a catalogue of white dwarf candidates selected from Gaia Early Data Release 3 (EDR3). We applied several selection criteria in absolute magnitude, colour, and Gaia quality flags to remove objects with unreliable measurements while preserving most stars compatible with the white dwarf locus in the Hertzsprung–Russell diagram. We then used a sample of over 30 000 spectroscopically confirmed white dwarfs and contaminants from the Sloan Digital Sky Survey (SDSS) to map the distribution of these objects in the Gaia absolute magnitude–colour space. Finally, we adopt the same method presented in our previous work on Gaia Data Release 2 (DR2) to calculate a probability of being a white dwarf (PWD) for ≃1.3 million sources that passed our quality selection. The PWD values can be used to select a sample of ${\simeq} 359\,000$ high-confidence white dwarf candidates. We calculated stellar parameters (effective temperature, surface gravity, and mass) for all these stars by fitting Gaia astrometry and photometry with synthetic pure-H, pure-He, and mixed H–He atmospheric models. We estimate an upper limit of 93 per cent for the overall completeness of our catalogue for white dwarfs with G ≤ 20 mag and effective temperature (Teff) > 7000 K, at high Galactic latitudes (|b| > 20°). Alongside the main catalogue we include a reduced proper motion extension containing ${\simeq} 10\,200$ white dwarf candidates with unreliable parallax measurements that could, however, be identified on the basis of their proper motion. We also performed a cross-match of our catalogues with SDSS Data Release 16 (DR16) spectroscopy and provide spectral classification based on visual inspection for all resulting matches.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Advancing lightweight mirror design: a paradigm shift in mirror preforms by utilizing design for additive manufacturing

Additive manufacturing is a disruptive technology that can be leveraged by the redesign of components in most engineering fields. Fundamental engineering resources for lightweight mirrors were developed more than 30 years ago with a main design limitation, state of the art manufacturing. In this study, we present two design methodologies for the design of lightweight mirrors. The first method utilizes analytical expressions to design a traditional isogrid mirror, which provided the foundation for most lightweight mirrors to date. The second method employs a combination of topology optimization, lattice infill, and analytical estimation to develop an advanced lightweight mirror designed for additive manufacturing. The advanced mirror design outperforms the traditional design for each functional requirement, including a 94% reduction in predicted surface quilting and a higher specific stiffness. The manufacturing of the advanced mirror is only possible with an additive manufacturing process.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Hunting for Planetary Nebulae toward the Galactic Center

We present near-infrared (IR) spectra of two planetary nebula (PN) candidates in close lines of sight toward the Galactic center (GC) using the Gemini Near-Infrared Spectrograph at Gemini North. High-resolution images from radio continuum and narrowband IR observations reveal ringlike or barrel-shaped morphologies of these objects, and their mid-IR spectra from the Spitzer Space Telescope exhibit rich emission lines from highly-excited species such as [S iv], [Ne iii], [Ne v], and [O iv]. We also derive elemental abundances using the Cloudy synthetic models, and find an excess amount of the s-process element krypton in both targets, which supports their nature as PNe. We estimate foreground extinction toward each object using near-IR hydrogen recombination lines, and find significant visual extinctions (A {sub V} > 20). The distances inferred from the size versus surface brightness relation of other PNe are 9.0 ± 1.6 kpc and 7.6 ± 1.6 kpc for SSTGC 580183 and SSTGC 588220, respectively. These observed properties along with the abundance patterns and close proximity to Sgr A* (projected distances ≲20 pc) make it highly probable that these objects are the first confirmed PN objects in the nuclear stellar disk. The apparent scarcity of such objects resembles the extremely low rate of PN formation in old stellar systems, but is in line with the current rate of sustained star formation activity in the Central Molecular Zone.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

A Search for Faint Resolved Galaxies Beyond the Milky Way in DES Year 6: A New Faint, Diffuse Dwarf Satellite of NGC 55

We report results from a systematic wide-area search for faint dwarf galaxies at heliocentric distances from 0.3 to 2 Mpc using the full 6 yr of data from the Dark Energy Survey (DES). Unlike previous searches over the DES data, this search specifically targeted a field population of faint galaxies located beyond the Milky Way virial radius. We derive our detection efficiency for faint, resolved dwarf galaxies in the Local Volume with a set of synthetic galaxies and expect our search to be complete to M$_{V}$ ∼ (−7, −10) mag for galaxies at D = (0.3, 2.0) Mpc. We find no new field dwarfs in the DES footprint, but we report the discovery of one high-significance candidate dwarf galaxy at a distance of , a potential satellite of the Local Volume galaxy NGC 55, separated by 47′ (physical separation as small as 30 kpc). We estimate this dwarf galaxy to have an absolute V-band magnitude of and an azimuthally averaged physical half-light radius of , making this one of the lowest surface brightness galaxies ever found with . This is the largest, most diffuse galaxy known at this luminosity, suggesting possible tidal interactions with its host.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Elimination of remnant phases in low-temperature growth of wurtzite ScAlN by molecular-beam epitaxy

Growth of wurtzite ScxAl1−xN (x < 0.23) by plasma-assisted molecular-beam epitaxy on cplane GaN at high temperatures significantly alters the extracted lattice constants of the material due to defects likely associated with remnant phases. In contrast, ScAlN grown below a composition-dependent threshold temperature exhibits uniform alloy distribution, reduced defect density, and atomic-step surface morphology. The c-plane lattice constant of this low-temperature ScAlN varies with composition as expected from previous theoretical calculations and can be used to reliably estimate alloy composition. Moreover, lattice-matched Sc0.18Al0.82N/GaN multiquantum wells grown under these conditions display strong and narrow near-infrared intersubband absorption lines that confirm advantageous optical and electronic properties.

Dzuba, Brandon↗
DOE OSTI2024

Short communication: Cosmogenic noble gas depletion in soils by wildfire heating

Measurements of cosmic-ray-produced beryllium-10, neon-21, and helium-3 in quartz in a soil profile from a forested landscape in the Oregon Coast Range show that the cosmogenic noble gases 21 Ne and 3 He are depleted relative to 10Be in the shallow subsurface. The noble gases are mobile in mineral grains via thermally activated diffusion and 10 Be is not, implying that noble gas depletion is the result of surface heating by wildfires and subsequent mixing of partially degassed quartz downward into the soil. Cosmogenic noble gas depletion by wildfire heating of soils is a potential means of estimating wildfire intensity and/or frequency over pre-observational timescales.

58 GEOSCIENCES↗
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 OSTI2020

Influences of Mg Ions and Al Ions on Deposition Behavior of Supersaturated Silicic Acid - 20261

Silicic acid can change into various species such as deposit, colloidal, and soluble form under certain conditions: for example, gradual pH changes around geological disposal repositories. In particular, silicic acid deposits narrow groundwater flow paths, thereby restricting the flow of groundwater. Such effects may contribute to a delay in radionuclide migration. Previous studies have reported that silicic acid supersaturated in sodium and calcium ions can narrow the flow paths. This study examined the effect of magnesium (Mg) and aluminum (Al) ions on the deposition of supersaturated silicic acid on the solid phase. The deposition behavior of supersaturated silicic acid on the solid phase was investigated in a batch system while changing the initial supersaturation concentration, the coexisting ion concentration, and the amount of added solid phase. In the presence of Mg ions, silicic acid precipitation increased with increasing Mg ion concentration due to the influence of the electrolyte, and crosslinking reactions. The coexistence of Al ions significantly suppressed silicic acid deposition due to the formation of a covering on the solid surface during Al ion hydrolysis under conditions of high Al concentration (1.4 mM). On the basis of these experimental results, the apparent deposition rate constant of silicic acid was estimated to be in the range from 10{sup -11} to 10{sup -10} m/s. The Damkoehler number (the dimensionless number expressed by the ratio of the characteristic time of mass transfer and the chemical reaction constant) was sufficient to cause the clogging of the host rock by deposition. This suggests that supersaturated silicic acid deposition, regardless of the presence of Mg ions (and Al ions), contributes to improving barrier performance against radionuclide migration in the host rock. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Downhole Sensing and Event-Driven Sensor Fusion for Depth-of-Cut Based Autonomous Fault Response and Drilling Optimization

Achieving robust and efficient drilling is a critical part of reducing the cost of geothermal energy exploration and extraction. Drilling performance is often evaluated using one or more of three key metrics: depth of cut (DOC), rate of penetration (ROP), and mechanical specific energy (MSE). All three of these quantities are related to each other. DOC refers to the depth a bit penetrates into rock during drilling. This is an important quantity for estimating bit behavior. ROP is the simply the DOC multiplied by the rotational rate, and represents how quickly the drill bit is advancing through the ground. ROP is often the parameter used for drilling control and optimization. Finally, MSE provides insight into drilling efficiency and rock type. MSE calculations rely on ROP, drilling force, and drilling torque. Surface-based sensors at the top of the drill are often used to measure all these quantities. However, top-hole measurements can deviate substantially from the behavior at the bit due to lag, vibrations, and friction. Therefore, relying only on top-hole information can lead to suboptimal drilling control. In this work, we describe recent progress towards estimating ROP, DOC, and MSE using down-hole sensing. We assume down-hole measurements of torque, weight-on-bit (WOB). Our hypothesis is that these measurements can provide more rapid and accurate measures of drilling performance. We show how a multi-layer perceptron (MLP) machine learning algorithm can provide rapid and accurate performance when evaluated on experimental data taken from Sandia’s Hard Rock Drilling Facility. In addition, we implement our algorithms on an embedded system intended to emulate a bottom-hole-assembly for sensing and estimation. Our experimental results show that DOC can be estimated accurately and in real-time. These estimates when combined with measurements for rotary speed, torque, and force can provide improved estimates for ROP and MSE. These results have the potential to enable better drilling assessment, improved control, and extended component lifetimes.

15 GEOTHERMAL ENERGY↗
DOE OSTI2023

Analysis of position-dependent cavity parameters in irradiated metals to obtain insight on fundamental defect migration phenomena

Motion of point defects is a fundamental process that governs microstructure and properties of materials. Here, we examine the near-surface and grain boundary cavity swelling depth profiles in neutron- and ion-irradiated simple metals (Cu, Ni, and Fe-Cr) and investigate diffusional broadening of implanted Ni ions in Fe-Cr alloys. Vacancy migration energies and radiation-enhanced diffusion were experimentally estimated. Cavity denuded zone widths near planar sinks are shown to be dependent on temperature, damage rate, balance of point defects and sinks, and vacancy migration energies. An enhanced cavity swelling zone adjacent to the void-denuded zone was observed in specimens with low to moderate sink strength and interpreted as evidence of 1D gliding interstitial clusters. Radiation-enhanced diffusional broadening of implanted Ni ions (at 400–550 °C) in Fe and Fe-Cr was up to 250 nm toward the surface, which leads to a much broader near-peak-damage region where cavity swelling is suppressed. Diffusional broadening of implanted ions is calculated to be similarly pronounced for self-ion irradiations, particularly near the peak and higher swelling temperature regimes. Adequately high ion energies (~8–15 MeV) are recommended for ion-irradiation studies to provide a sufficiently broad midrange safe analysis region with minimized surface and injected ion effects.

36 MATERIALS SCIENCE↗
DOE OSTI2025

NREL ASSIST Barge / Thermodynamic retrievals TROPoe v0.19

This dataset contains daily files with thermodynamic profiles retrieved with the optimal estimation physical retrieval TROPoe v0.19 (Turner and Löhnert, 2014; Turner and Blumberg, 2019; Turner and Löhnert, 2021). The profiles are retrieved every 10 minutes from instantaneous observations from the NREL ASSIST-II (SN 12) infrared spectrometer. Observations are noise-filtered but not averaged in time to minimize errors due to non-uniform clouds. Additional input data in TROPoe are cloud base height from a collocated NREL Vaisala CL51 ceilometer (when available) or vertically staring Halo XR lidar, and surface temperature, relative humidity, and pressure from the collocated Oregon State University met tower. The full pipeline to run the retrieval is available at https://github.com/StefanoWind/TROPoe_processor. In addition to these temporally resolved input data, TROPoe requires an a priori dataset (prior) that provides mean climatological estimates of thermodynamic profiles and specifies how temperature and humidity covary with height as an input (for details see, e.g., Djalalova et al., 2022). The prior is a key component of the retrieval and provides a constraint on the ill-posed inversion problem. A monthly prior was computed from operational radiosonde launches at Upton, NY.

17 WIND ENERGY↗
DOE OSTI2024

Reactor wall effects in Si–Cl 2 –Ar atomic layer etching

This work complements our previous manuscript [J. Vac. Sci. Technol. A41, 062602 (2023)] where predictions from molecular dynamics (MD) simulations of silicon–chlorine–argon (Si–Cl 2 –Ar) atomic layer etching (ALE) are compared to experiments. When etch product distributions for atomic chlorine (Cl) and silicon chlorides were initially compared to optical emission spectroscopy (OES) signals, it appeared that there was a discrepancy between the MD predictions and experimental results at higher ion fluences. Experiments showed a relatively long period of nearly constant Cl-containing etch products released from the ion-bombarded surface (referred to as the “plateau”) but this effect was not observed in MD simulations. In this report, we demonstrate that the “plateau” observed in the OES signals is most likely due to the desorption of Cl-containing etch products from the walls of the reactor and subsequent adsorption on the Si substrate. Experiments varying the gas residence time in the chamber while keeping incoming gas concentrations and pressure constant support this interpretation. We also conducted experiments with an additional Ar-only flow in the chamber to reduce the concentration of Cl-containing species on the chamber walls. For both sets of flow modification experiments, we observe results consistent with the hypothesis that Cl-containing species desorbing from chamber walls are a significant cause of the observed discrepancy between MD predictions and experimental observations. If the measured OES signals are corrected for this “additional” source of Cl-containing species at the surface, the MD predictions and measured OES signals are in excellent agreement. This further supports the predictive capability of MD simulations to accurately capture the relevant physical and chemical processes in plasma-assisted ALE processes. We provide an order of magnitude estimate of the required density of Cl-containing species that would account for the additional etch products observed. Finally, we discuss the implications of this effect on ALE in plasma nanofabrication.

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

Estimating Interplanetary Magnetic Field Conditions at Mercury's Orbit From MESSENGER Magnetosheath Observations Using a Feedforward Neural Network

Abstract Mercury's small magnetosphere is embedded in the dynamic and intense solar wind environment characteristic of the inner heliosphere. Both the magnitude and orientation of the interplanetary magnetic field (IMF) significantly influence the solar wind‐magnetospheric interaction at Mercury, driving phenomena such as magnetic reconnection. The MErcury Surface, Space Environment, Geochemistry and Ranging (MESSENGER) spacecraft provided in‐situ magnetic field measurements of the solar wind, the magnetosheath, and the magnetosphere along each orbit. However, it is a challenge to directly assess the IMF's impact on Mercury's plasma environment due to the temporal separation between observations within the solar wind and the magnetosphere, especially in the absence of an upstream monitor. Here, we present a feedforward neural network (FNN) trained on a subset of magnetosheath observations to estimate the strength and orientation of the IMF upstream of the bow shock. Utilizing magnetosheath magnetic field, cylindrical spatial coordinates, and heliocentric distance measurements, the FNN predicts upstream IMF conditions with an score of 0.70 and mean averaged error of 5.3 nT, thereby greatly decreasing the temporal separation between IMF estimates and magnetospheric measurements throughout the MESSENGER mission. This approach yields IMF estimates for all magnetosheath data measured by MESSENGER, providing a useful tool for future investigations of the IMF impact on Mercury's magnetosphere. This method will be integrable with the dual‐spacecraft BepiColombo magnetosheath measurements, providing useful estimates of upstream IMF conditions particularly during the extended periods in which neither spacecraft sample the solar wind. Our results demonstrate the utility of machine learning techniques on advancing space science research.

Bowers, Charles F.↗
DOE OSTI2021

The Spiral Galaxies Flat Rotational Velocity Curve Explained by the Constant Group Velocity of a Nonlinear Density Wave

The rotation velocity curves of stars in galaxies, the motions of pairs of galaxies, and the behavior of galaxies in clusters and super-clusters all indicate that there is a lack of mass on different scales in the universe. In this paper, we derive the expression for rotational velocity using the nonlinear density wave theory considering only stellar components and we show that such theory can support the observed flat rotational velocity curve due to the main property of the soliton wave, which is a constant group velocity of the wave. The surface mass density (SMD) function, used to derive gravitational potential gradient and rotational velocity, is not assumed but rather derived as a solution of the nonlinear Srödinger equation, on the contrary to the widely used, in the literature, exponential disk approximation. Three parameters relevant to the curve shape are the intensities of equilibrium SMD, the amplitude of the wave, and total angular velocity or differential rotation, equivalently. Since the shape of the rotational velocity is highly sensitive to the mentioned parameters, this theory eventually provides a method for a very accurate estimation of galaxy mass and angular velocity as well.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Date Release Report for Large Surface Explosion Coupling Experiment (LSECE) Nevada National Security Site

The DTRA sponsored 2020-2022 Large Surface Explosion Coupling Experiment (LSECE) consists of two large ground surface chemical explosions, data collection, analysis and modeling carried out in 2020-2022. The LSECE chemical explosions were carried out at the site of prior NNSA sponsored buried chemical explosions that were part of the Source Physics Experiment (SPE) Phase II in Dry Alluvium Geology (DAG). This report described the data collected under LSECE that is being made publicly available. The prior buried explosion DAG data are described in a separate report (https://www.osti.gov/biblio/1825534) and are also publicly available. The LSECE explosions, data analysis and numerical modeling work sponsored by DTRA were intended to address three objectives: 1) Generate seismo-acoustic data to test and improve numerical models of explosion energy coupling in dry alluvium geology; 2) To improve seismo-acoustic yield estimation techniques as a function of depth and medium properties; 3) To study and improve acoustic propagation modeling under two different atmospheric conditions. The LSECE data that were collected have expanded the prior DAG buried explosion dataset to include surface chemical explosions recorded on a common set of seismo-acoustic stations. They have allowed a more detailed study of above and below surface seismo-acoustic energy coupling with applications to explosion monitoring and assessment. The two approximately 1-ton TNT equivalent yield LSECE explosions were detonated at different times of the day to explore the effects of the different atmospheric conditions. The first chemical explosion “Artemis” was conducted before dawn when temperature inversions were present. The second chemical explosion “Apollo” was conducted on a sunny afternoon when the temperature gradient was more linear. The LSECE chemical explosion data were also collected across a variety of different sensor types to allow evaluation of their effectiveness in recovering useful information. The LSECE instrumentation included fiber optic or Distributed Acoustic Sensing (DAS), a dense array or Large-N array of seismometers, borehole accelerometers, DAS and a velocity meter, airborne acoustic instruments and a variety of visual and remote sensing data.

58 GEOSCIENCES↗
DOE OSTI2024

Surface Deformation and Seismicity Linked to Fluid Injection in the Raton Basin

Abstract It is suggested that in addition to seismicity deep fluid injection may cause surface uplift and subsidence in oil and gas‐producing regions. This study uses the Raton Basin as an example to investigate the hydromechanical processes of surface uplift and subsidence during wastewater injection. The Raton Basin, in southern central Colorado and northern central New Mexico, has experienced wastewater injection related to coalbed methane and gas production starting in 1994. In this study, we estimate the extent and magnitude of total vertical deformation in the Raton Basin from 1994 to 2020 and incremental deformation between the years 2017 to 2020. Results indicate a modeled uplift as much as 15 cm occurring between 1994 and 2020. Between 2017 and 2020, up to 3 cm of uplift occurred, largely near the northwestern injection wells. Most modeled uplift between 1994 and 2020 occurred near the southern wells, where the greatest cumulative volume of wastewater was injected. However, modeled subsidence occurred around the southern and eastern wells between 2017 and 2020, after the rate of injection decreased. Modeling indicates that while the magnitude of modeled uplift corresponds to cumulative injection volume and maximum rate in the long‐term, short‐term incremental deformation (uplift or subsidence) is controlled by changes in the rate of injection. The number of yearly earthquake events follows periods of rapid modeled uplifting throughout the Basin, suggesting that measurable surface deformation may be caused by the same injection‐induced pore pressure perturbations that initiate seismicity.

Geology↗
DOE OSTI2023

Daily and Seasonal Variations of Shallow Seismic Velocities in Southern California From Joint Analysis of H/V Ratios and Autocorrelations of Seismic Waveforms

Establishing a baseline of ongoing secular velocity variations at the subsurface can improve the accuracy of detecting and interpreting short-term velocity changes, and advance the understanding of observed seismic motions and the behavior of subsurface materials. Toward these goals, we develop and apply a deconvolved autocorrelation (DA) method to estimate regional daily and seasonal changes of seismic velocities in southern California. The DA method combines advantages of traditional autocorrelation and Horizontal-to-Vertical Spectral Ratio, and is used to analyze over 10 years of data recorded by 50 stations. The results indicate widespread daily and seasonal changes of up to 10% and 4%, respectively, in the top tens of meters of the crust. The thickness of the surface layer, distance from the coast, and topographic variations are important factors controlling the amplitudes of the resolved velocity variations. The results suggest that changes of soil moisture and thermoelastic strain are likely dominant factors affecting the daily and seasonal variations, respectively. The developed DA method can improve the accuracy and robustness of estimated changes of subsurface materials at other locations.

58 GEOSCIENCES↗