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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Simulating county-level crop yields in the Conterminous United States using the Community Land Model: The effects of optimizing irrigation and fertilization

Representing agricultural systems explicitly in Earth system models is important for understanding the water-energy-food nexus under climate change. In this study, we applied Version 4.5 of the Community Land Model (CLM) at a 0.125 degree resolution to provide the first county-scale validation of the model in simulating crop yields over the Conterminous United States (CONUS). We focused on corn and soybean that are both important grain crops and biofuel feedstocks (corn for bioethanol; soybean for biodiesel). We find that the default model substantially under- or over-estimate yields of corn and soybean as compared to the US Department of Agriculture (USDA) census data, with corresponding county-level root-mean square error (RMSE) of 45.3 Bu/acre and 12.9 Bu/acre, or 42% and 38% of the US mean yields for these crops, respectively. Based on the numerical experiments, the lack of proper representation of agricultural management practices, such as irrigation and fertilization, was identified as a major cause for the model's poor performance. After implementing an irrigation management scheme calibrated against county-level US Geological Survey (USGS) census data, the county-level RMSE for corn yields reduced to 42.6 Bu/acre. We then incorporated an optimized fertilizer scheme in rate and timing, which is achieved by the constraining annual total fertilizer amount against the USDA data, considering the dynamics between fertilizer demand and supply and adopting a calibrated fertilizer scheduling map. The proposed approach is shown to be effective in increasing the fertilizer use efficiency for corn yields, with county-level RMSE reduced to 23.8 Bu/acre (or 22% of the US mean yield). In regions with similar annual fertilizer applied as in the default, the improvements in corn yield simulations are mainly attributed to application of longer fertilization periods and consideration of the dynamics between fertilizer demand and supply. For soybean which is capable of fixing nitrogen to meet nitrogen demand, the reduced positive bias to 6.9 Bu/acre (or 21% of the country mean) was mainly attributed to consideration of the dynamic interactions between fertilizer demand and supply. Although large bias remains in terms of the spatial pattern (i.e. high county-level RMSE), mainly due to limited performance over the Western US, our results show that optimizing irrigation and fertilization can lead to promising improvement in crop and soybean yield simulations in terms of the mean and variability especially over the Mid-west corn belt, and subsequent evapotranspiration (ET) estimates. Finally, this study demonstrates the CLM4.5 capability for predicting crop yields and their interactions with climate, and highlights the value of continued model improvements and development to understand biogeophysical and biogeochemical impacts of land use and land cover change using an Earth system modeling framework.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1988

EUVE/XTE orbit decay study

The Explorer Platform (EP) program currently comprises two missions, the Extreme Ultraviolet Explorer (EUVE) and the X-ray Timing Explorer (XTE), each of which consists of a scientific payload mounted to the EP. The EP has no orbit maintenance capability. The EP with the EUVE payload will be launched first. At the end of the EUVE mission, the spacecraft will be serviced by the Space Transportation System (STS), and the EUVE instrument will be exchanged for the XTE. The XTE mission will continue until reentry or reservicing by the STS. Because the missions will be using the EP sequentially, the orbit requirements are unusually constrained by orbit decay rates. The initial altitude must be selected so that, by the end of the EUVE mission (2.5 years), the spacecraft will have decayed to an altitude within the STS capabilities. In addition, the payload exchange must occur at an altitude that ensures meeting the minimum XTE mission lifetime (3 years) because no STS reboost will be available. Studies were performed using the Goddard Mission Analysis System to estimate the effects of mass, cross-sectional area, and solar flux on the fulfillment of mission requirements. In addition to results from these studies, conclusions are presented as to the accuracy of the Marshall Space Flight Center solar flux predictions.

Richon, K.↗
NASA NTRS2012

The Insignificance of Major Mergers in Driving Star Formation at z approximately equal to 2

We study the significance of major mergers in driving star formation in the early Universe, by quantifying the contribution of this process to the total star formation budget in 80 massive (M(*) > 10(exp 10) Solar M) galaxies at z approx = 2. Employing visually-classified morphologies from rest-frame V-band HST imaging, we find that 55(exp +/-14)% of the star formation budget is hosted by non-interacting late-types, with 27(exp +/-18% in major mergers and 18(exp +/- 6)% in spheroids. Given that a system undergoing a major merger continues to experience star formation driven by other processes at this epoch (e.g. cold accretion, minor mergers), approx 27% is a likely upper limit for the major-merger contribution to star formation activity at this epoch. The ratio of the average specific star formation rate in major mergers to that in the non-interacting late-types is approx 2.2:1, suggesting that the typical enhancement of star formation due to major merging is modest and that just under half the star formation in systems experiencing major mergers is unrelated to the merger itself. Taking this into account, we estimate that the actual major-merger contribution to the star formation budget may be as low as approx 15%. While our study does not preclude a major-merger-dominated. era in the very early Universe, if the major-merger contribution to star formation does not evolve significantly into larger look-back times, then this process has a relatively insignificant role in driving stellar mass assembly over cosmic time.

Kaviraj, S.↗
NASA NTRS2004

Assessment and Control of Spacecraft Charging Risks on the International Space Station

The International Space Station (ISS) operates in the F2 region of Earth's ionosphere, orbiting at altitudes ranging from 350 to 450 km at an inclination of 51.6 degrees. The relatively dense, cool F2 ionospheric plasma suppresses surface charging processes much of the time, and the flux of relativistic electrons is low enough to preclude deep dielectric charging processes. The most important spacecraft charging processes in the ISS orbital environment are: 1) ISS electrical power system interactions with the F2 plasma, 2) magnetic induction processes resulting from flight through the geomagnetic field and, 3) charging processes that result from interaction with auroral electrons at high latitude. Recently, the continuing review and evaluation of putative ISS charging hazards required by the ISS Program Office revealed that ISS charging could produce an electrical shock hazard to the ISS crew during extravehicular activity (EVA). ISS charging risks are being evaluated in an ongoing measurement and analysis campaign. The results of ISS charging measurements are combined with a recently developed model of ISS charging (the Plasma Interaction Model) and an exhaustive analysis of historical ionospheric variability data (ISS Ionospheric Specification) to evaluate ISS charging risks using Probabilistic Risk Assessment (PRA) methods. The PRA combines estimates of the frequency of occurrence and severity of the charging hazards with estimates of the reliability of various hazard controls systems, as required by NASA s safety and risk management programs, to enable design and selection of a hazard control approach that minimizes overall programmatic and personnel risk. The PRA provides a quantitative methodology for incorporating the results of the ISS charging measurement and analysis campaigns into the necessary hazard reports, EVA procedures, and ISS flight rules required for operating ISS in a safe and productive manner.

Koontz, Steve↗
NASA NTRS2020

150 Shades of Green: Using the Full Spectrum of Remote Sensing Reflectance to Elucidate Color Shifts in the Ocean

This article proposes a simple and intuitive classification system by which to define full spectral remote sensing reflectance (Rrs(λ)) data with a quantitative output that enables a more manageable handling of spectral information for aquatic science applications. The weighted harmonic mean of the Rrs(λ) wavelengths outputs an Apparent Visible Wavelength (in units of nanometers), representing a one-dimensional geophysical metric of color that is inherently correlated to spectral shape. This dimensionality reduction of spectral information combined with the output along a continuum of wavelength values offers a robust and user-friendly means to describe and analyze spectral Rrs(λ) in terms of spatial and temporal trends and variability. The uncertainty in the algorithm's estimation of spectral shape is demonstrated on a global scale, in addition to the utility of the algorithm to discern spectral-spatial-temporal trends in the ocean, on a per-pixel basis for the entire 22 year continuous ocean color (SeaWiFS and MODIS-Aqua) time-series. This technique can be applied to datasets of varying multi- and hyper-spectral resolutions, providing continuity between heritage and future satellite sensors, and further enabling an effective means of elucidating similarities or differences in complex spectral signatures within the constraints of two dimensions. This straightforward means of conceptualizing multi-dimensional variability can help maximize the potential of the spectral information embedded in remote sensing data.

ocean color↗
DOE OSTI2017

Manufacturing of Low Cost, Durable Membrane Electrode Assemblies Engineered for Rapid Conditioning

Over the past 20 years significant progress in membrane-electrode assembly (MEA) technology development for polymer electrolyte fuel cells (PEMFCs) has resulted in the PEMFC technology approaching a commercial reality for transportation applications. However, there remain two primary technical challenges to be addressed in the MEA. First and foremost is meeting the automotive cost targets: Producing a fuel cell stack cost competitive with today’s internal combustion engine. In addition to the material cost, MEA (and other components) and stack assembly production methods must be amenable for use in low cost, high speed, automotive assembly line. One impediment to this latter goal is that stack components must currently go through a long and tedious conditioning procedure before they produce optimal power. This so-called “break-in” can take many hours, and can involve quite complex voltage, temperature and/or pressure steps. These break-in procedures must be simplified and the time required reduced if fuel cells are to become a viable automotive engine. The second challenge is to achieve the durability targets in real-world automotive duty cycle operations. Significant improvements in cost, break-in time, and durability for the key component of fuel cell stacks, MEAs were achieved in this project. Advanced modeling was used to guide design of the new MEA to maximize performance and durability. A new, innovative process and manufacturing approach utilizing direct in-line coating using scalable, cost-competitive, continuous high volume 3-layer rolled-good manufacturing processes was developed and validated by single cell and short stack testing. In addition, the direct coating methods employed were shown to reduce the cost for sacrificial films. Furthermore, Gore has demonstrated a 10 µm reinforced membrane that is used in the new low-cost process and can meet automotive power density and durability targets. Across a wide range of operating conditions, the direct-coated MEA outperformed the commercial baseline MEA, and did so through a process that delivers MEAs at $92.35/m2 at a volume of 500,000 systems per year, according to Strategic Analysis (SA) estimates.

08 HYDROGEN↗
DOE OSTI2017

Analysis of Electric Power Board of Chattanooga Smart Grid Investment

The deployment of a Smart Grid within the EPB electrical system has brought significant value to EPB customers and to EPB operations. The Smart Grid implementation has permitted the capability to automate many of the existing systems, increasing the overall efficiency and decreasing round trip time for many required operation functions. This has both reduced the cost of operations and increased the reliability of customer service. This boost in performance can be primarily linked to two main components: the communication network and the availability of data. The existence of a fiber communication backbone has opened numerous opportunities for EPB. Large data sets from remote devices can be continuously polled and used to compute numerous metrics. The speed of communication has provided a pathway to sophisticated distribution automation that would not otherwise be possible. The data have been shown to provide a much broader view of the actual electrical system that was not previously available, opening many new opportunities in data analytics. This report documents many of the existing systems and operational features of the EPB system. Many of these systems have seen significant improvement with the deployment of Smart Grid technologies. The research behind this report found that in some cases, the value was directly computable or estimable for these enhancements. Currently, several ongoing research topics are under investigation within EPB. Through a grant from TVA, EPB is currently installing a 1.3MW solar photovoltaic system, which will be the first-generation asset owned by EPB.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
NASA NTRSDate not supplied

BioSentinel: Leading the Way for Deep Space CubeSat Missions

Flagship science missions are not alone in Deep Space thanks to BioSentinel, a 6U spacecraft launched on Artemis-1. BioSentinel is one of the longest operating CubeSats beyond cislunar space. The subsystems and COTS components of the BioSentinel bus are a template for future deep space missions, and the lessons learned from over a year of operations will enable improved performance for the next missions. BioSentinel achieved its unprecedented performance for an SLS secondary payload due to preparation, planning, and a robust design. Pre-launch antenna and interface testing with both DSN and ESA confirmed command and data pathways and allowed for operational flexibility in the critical early hours post-deployment. Mission Operations simulations prior to launch identified potential risks and primed operators to respond in flight, preparing the team to react quickly to successfully detumble the spacecraft and enter a power-positive state. The spacecraft would not have survived without the inclusion of the trailblazing 3D-printed composite cold gas propulsion system. The non-standard tank geometry enabled efficient use of the limited space available in the CubeSat, as well as the capability to detumble the spacecraft and manage momentum, while providing sufficient margin to execute potential delta-V maneuvers. The Iris radio has operated for over 18 months with no significant issues. Initial Iris performance estimates have been accurate throughout the mission. BioSentinel continues to collect data on thermal conditions and to validate our performance models with real-world knowledge. We have received exemplary support from our DSN partners. Following the conclusion of the primary science mission, the Linear Energy Transfer (LET) Spectrometer continued to collect solar and galactic radiation data from its location in heliocentric orbit. The free space dataset offered by the BioSentinel LET is a valuable source of data for model validation and future mission planning. As the spacecraft travels farther from Earth it is poised to provide longitudinally distributed measurements of solar particle events during solar maximum. The lessons learned from BioSentinel suggest key areas to enhance performance. The ability to upload modified flight software can increase the stability of memory management. Additional heaters in the propulsion system design have already proven successful on the Starling mission. Streamlining mission operations can reduce costs, increase data return, and better utilize DSN time. Enhancements such as these will facilitate reliable, long-duration deep space exploration using the proven BioSentinel 6U CubeSat bus.

BioSentinel↗
NASA NTRSDate not supplied

NASA GEOS Composition Forecast System: GEOS-CF

NASA's Global Modeling and Assimilation Office (GMAO) produces high-resolution analysis and forecasts for weather, aerosols, and air quality. Since 2019, the NASA Global Earth Observing System (GEOS) model provides global near-real-time historical estimates and daily 5-day forecasts of atmospheric composition to the public at unprecedented horizontal resolution of 0.25 degrees (~25 km) from the surface up to the lower mesosphere. This composition forecast system (“GEOS-CF”) combines the operational GEOS weather forecasting model with the state-of-the-science GEOS-Chem chemistry module to deliver detailed analysis of a wide range of air pollutants, including the policy-relevant species such as ozone, carbon monoxide, nitrogen oxides, sulfur dioxide and fine particulate matter (PM2.5). The GEOS-CF is a tool for scientists and the public health community. This presentation will cover 1) an overview of the GEOS-CF modeling framework compared to the GEOS-5 Nature Run with Chemistry (used in the post-processing to make the TEMPO Proxy Data), 2) description of the file used to support the TEMPO retrieval team, and 3) research and development activities as the GEOS-CF system continues to evolve to include multi-constituent data assimilation.

K. Emma Knowland↗
NASA NTRS2022

Design of Hypervelocity Flow Generator (HFG) and Its Diagnostics

Ground facilities for hypersonic research are a key element for successful development of aerodynamically proven hypervelocity vehicles. Design concepts and diagnostics of a hypervelocity flow generator (HFG) were made as a test platform for hypersonic/hypervelocity spacecraft models at the NASA Langley Research Center. The HFG is a hypersonic flow field generator using optically heated gas which is blown into an 80 cu m vacuum chamber. The vacuum chamber is kept at a stable vacuum pressure with a combination of three large vacuum pumps, while the HFG is in the test mode. The HFG provides a relatively small test section with approximately a 20 cm window. This facility was designed to generate 2.45 km/sec of flow speed, and potentially generate a continuous flow with the nozzle and vacuum system. The window in test section provides a direct view of the shock wave around a model in order to measure temperature, pressure, and density profile within the shock layer. One of the key test goals under this project is to understand why the emission spectra from the standing shockwave plasma predicted by Lora-Loran codes are significantly different from the measured emission spectra from the Flight Investigation Reentry Environment (FIRE II) Flight. The correct estimate of the thermal loading on the leading edge of hypersonic vehicles greatly affects the aerodynamic design, the material selection for the vehicle, and the cooling requirement and can be obtained by the precise modeling of emission spectra from shockwave plasma. However, the estimation of thermal loading is not an easy task due to complex non-equilibrium radiative process within high temperature shock layers that still falls into a category of cold plasma. Direct flight experiments are the most desirable, but not a cost-effective approach. Analysis by computational fluid dynamics (CFD) offers many test flexibilities. However, the CFD codes must be fully tested and validated with experimental data before the codes are effectively used for practical design. Large discrepancies between experiments and codes appear in hypersonic/hypervelocity flow regimes at high altitudes of 60 km ~ 90 km. This HFG facility offers some important parameters for CFD code validation, such as collision cross-sections, relaxation times, reaction rate coefficients and transportation coefficients. The HFG test facility is based on the ejection flow of high temperature gas heated over to 3500 K through a nozzle. The tungsten gas chamber of the HFG is heated up to a desired temperature by a 60 kW optical power beam source. This system consists of an optical power source, a thermal chamber, an expansion nozzle, a test section, and an 80 cu m vacuum tank. 60 kW optical input power is obtained from the 150 kW Vortek arc lamp system (by Vortek Industries, Vancouver, Canada). This optical beam is focused to heat the gas chamber within which a flow media is heated. The maximum achievable temperature of the flow medium reached approximately 3500 K or even higher but is limited by the melting point of the chamber material used. The exhaust velocity through the nozzle was determined by the stagnation temperature and the molecular weight of the working medium at the test section. To provide design parameters, a NASA Chemical Equilibrium with Application (CEA) computer program is used for the simulation of aerothermal data. This CEA program can calculate chemical equilibrium and properties of complex mixtures using shock tube parameters. For nitrogen gas at 2666 K stagnation temperature, the maximum achievable velocity at the test section is approximately 2.45 km/sec which is within the range of the thermal velocity of 8000 K shock layer. Based on the calculation through the CEA program, the design parameters of a HFG were determined and implemented for the test section that includes an expansion nozzle. The installed test section of the experimental facility can sustain a condition of a re-entry vehicle from the Space at an altitude of 60-90 km. After installation of the HFG, the system was fully tested and its operational parameters were measured. An 80 cu m vacuum chamber of HFG was set at 1 torr level to keep a stable downstream condition. The pumping time to reach the minimum vacuum pressure (~ 1 torr) at the test chamber from atmospheric pressure was approximately an hour using Kinney (MBV-14000/MB -1600/KT-300) and Stokes (Model 1772 and 412) pumps. Such a setup condition allowed a continued stable operation of the HFG experiment with flowrates through 1-, 3-, or 5-mm diameters of nozzle throat. The flow characteristics of the HFG for various operating conditions were performed using a focused Schlieren method. At 0.8 torr chamber pressure, a barrel shock was observed at the test section. With a sphere obstacle of 12 mm diameter in the flow, a bow shock (~ 2-mm thickness) was observed by a focused Schlieren visualization method.

Hypervelocity flow↗
NASA NTRS2002

Geoscience Laser Altimeter System (GLAS) for the ICESat Mission

The Geoscience Laser Altimeter System (GLAS) is a new generation lidar and is the primary science payload for NASA's ICESat Mission. The GLAS design combines a 10 cm precision surface lidar with a sensitive dual wavelength cloud and aerosol lidar. GLAS will precisely measure the heights of the Earth's polar ice sheets, establish a grid of accurate height profiles of the Earth's land topography, and profile the vertical distribution of clouds and aerosols on a global scale. GLAS will be integrated onto a small spacecraft built by Ball Aerospace, and will be launched into a polar orbit with a 590-630 km altitude at an inclination of 94 degrees. ICESat is is currently planned to launch in winter 2002/03 and GLAS is designed to operate continuously in space for a minimum of 3 years. GLAS will measure the vertical distance from orbit to the Earth's surface with pulses from a ND:YAG laser at a 40 Hz rate. Each 6 nsec wide 1064 nm laser pulse is used to produce a single range measurement. On the surface, the laser footprints have 66 m diameter and approx. 170 m center-center spacings. The GLAS receiver uses a I m diameter telescope to detect laser backscatter and a Si APD to detect the 1064 nm signals. The detector's output is sampled by a digital ranging receiver, which records each transmitted pulse and surface echo waveform with 1 nsec (15 cm) resolution. Each echo pulse is digitized and is reported to ground with a record length of from 200 to 544 samples, depending on the spacecraft's location . The GLAS location and epoch times are measured by a precision GPS receiver carried on the ICESat spacecraft. Initial processing of the echo waveforms within GLAS permits discrimination between cloud and surface echoes for selecting appropriate waveform samples. This selection is guided by an on-board DEM which is used to set the boundaries for the echo pulse search algorithm. Subsequent ground-based echo pulse analysis, along with GPS-based clock frequency estimates, permit final determination of the range to the surface, degree of pulse spreading, and vertical distribution of any vegetation illuminated by the laser. Accurate knowledge of the laser beam's pointing angle is needed to prevent height biases when measuring over tilted surfaces, such as near the boundaries of ice sheets. For surfaces with 2 deg. slopes, knowledge of pointing angle of the beam's centroid angle to better than 10 urad is needed. GLAS uses a stellar reference system (SRS) to measure the pointing angle of each laser firing relative to inertial space. The SRS uses a high precision star camera oriented toward local zenith and a gyroscope to determine the inertial orientation of the SRS optical bench. The far field pattern of each laser is measured pulse relative to the star camera with a laser reference system (LRS). GLAS will also measure the vertical distributions of clouds and aerosols by recording the vertical profiles of laser pulse backscatter at both 1064 and 532 nm. The 1064 rim measurements use the Si APD detector and will be used to measure the height and echo pulse shape from thicker clouds. The lidar receiver at 532 nm uses a narrow bandwidth etalon filter and highly sensitive photon counting detectors. The 532 nm backscatter profiles will be used to measure the vertical extent of thinner clouds and the atmospheric boundary layer. The GLAS instrument component development is complete and the instrument is undergoing final testing and qualification at NASA-Goddard. The GLAS "as-built" characteristics and its expected measurement performance will be discussed.

Abshire, James B.↗
NASA NTRS1984

Particle erosion mechanisms and mass redistribution in Saturn's rings

A variety of physical processes can erode the surfaces of planetary ring particles. According to current estimates, the most efficient of these over the bulk of Saturn's rings is hypervelocity impact by 100 microns to one centimeter radius meteoroids. The atoms, molecules, and fragments ejected from ring particles by erosion arc across the rings along elliptical orbits to produce a tenuous halo of solid ejecta and an extensive gaseous atmosphere. Continuous exchange of ejecta between different ring regions can lead to net radial transport of mass and angular momentum. The equations governing this ballistic transport process are presented and discussed. Both numerical and analytic studies of idealized ring systems illustrate that ballistic transport can cause significant mass redistribution in the rings, especially near regions of high density contrast, such as the inner edges of the A and B rings. Ejecta exchanges can also alter local particle sizes and compositions and may produce pulverized regoliths at least several centimeters deep. The meteoroid erosion rate is so high that significant global torques and mass loss are possible on times shorter than a solar system life time.

Durisen, R. H.↗
NASA NTRS1990

On recursive least-squares filtering algorithms and implementations

In many real-time signal processing applications, fast and numerically stable algorithms for solving least-squares problems are necessary and important. In particular, under non-stationary conditions, these algorithms must be able to adapt themselves to reflect the changes in the system and take appropriate adjustments to achieve optimum performances. Among existing algorithms, the QR-decomposition (QRD)-based recursive least-squares (RLS) methods have been shown to be useful and effective for adaptive signal processing. In order to increase the speed of processing and achieve high throughput rate, many algorithms are being vectorized and/or pipelined to facilitate high degrees of parallelism. A time-recursive formulation of RLS filtering employing block QRD will be considered first. Several methods, including a new non-continuous windowing scheme based on selectively rejecting contaminated data, were investigated for adaptive processing. Based on systolic triarrays, many other forms of systolic arrays are shown to be capable of implementing different algorithms. Various updating and downdating systolic algorithms and architectures for RLS filtering are examined and compared in details, which include Householder reflector, Gram-Schmidt procedure, and Givens rotation. A unified approach encompassing existing square-root-free algorithms is also proposed. For the sinusoidal spectrum estimation problem, a judicious method of separating the noise from the signal is of great interest. Various truncated QR methods are proposed for this purpose and compared to the truncated SVD method. Computer simulations provided for detailed comparisons show the effectiveness of these methods. This thesis deals with fundamental issues of numerical stability, computational efficiency, adaptivity, and VLSI implementation for the RLS filtering problems. In all, various new and modified algorithms and architectures are proposed and analyzed; the significance of any of the new method depends crucially on specific application.

Hsieh, Shih-Fu↗
DOE OSTI2025

First-Principles Studies on Sc 2 RuZ (Z = Si, Ge, Sn) Inverse Heusler Alloys: Structural, Electronic, and Transport Properties

The continuous demand for efficient, nontoxic, and thermally stable materials for room-temperature energy conversion motivates the exploration of novel thermoelectric systems beyond the traditional magnetic Heusler alloys. While full and half-Heusler compounds, especially Co-, Ni-, and Mn-based systems, have demonstrated promising thermoelectric properties, their typically high operating temperatures and magnetic complexities limit their applicability in ambient thermal management. In this context, we investigate whether Sc-based inverse Heusler alloys can offer a viable nonmagnetic alternative with competitive thermoelectric performance. In this work, we perform a systematic first-principles study of the inverse Heusler compounds Sc 2 RuZ (Z = Si, Ge, Sn), focusing on their structural, electronic, mechanical, and thermodynamic-thermoelectric properties. Density Functional Theory (DFT) was employed to compute optimized lattice structures and band dispersion, while dynamical stability was assessed via phonon calculations. Thermoelectric transport coefficients, including Seebeck coefficient, electrical conductivity, and thermal conductivity, were estimated using the semiclassical Boltzmann transport theory within the constant relaxation time approximation. Our results show that all Sc 2 RuZ compounds are thermodynamically stable semiconductors with indirect band gaps of 0.12–0.16 eV and exhibit high elastic moduli, especially Sc 2 RuSn, which demonstrates superior stiffness and incompressibility. Importantly, all compounds display promising room-temperature thermoelectric characteristics, including high Seebeck coefficients and power factors. These findings reveal that Sc 2 RuZ alloys represent a rare class of stable, nonmagnetic inverse Heusler semiconductors with intrinsic thermoelectric potential at room temperature, unlike many existing Heusler systems optimized for spintronics or high-temperature operation. This work expands the known design space for Heusler-based thermoelectrics and offers a theoretical basis for experimental realization of efficient, low-temperature, nonmagnetic thermoelectric materials.

alloys↗
DOE OSTI2025

Real-Time High-Accuracy Digital Wireless Time, Frequency, and Phase Calibration for Coherent Distributed Antenna Arrays

his work presents a fully-digital high-accuracy real-time calibration procedure for frequency and time alignment of open-loop wirelessly coordinated coherent distributed antenna array (CDA) modems, enabling radio frequency (RF) phase coherence of spatially separated commercial off-the-shelf (COTS) software-defined radios (SDRs) without cables or external references such as the global navigation satellite system (GNSS). Building on previous work using high-accuracy spectrally-sparse time of arrival (ToA) waveforms and a multistep ToA refinement process, a high-accuracy two-way time transfer (TWTT)-based time–frequency coordination approach is demonstrated. Due to the two-way nature of the high-accuracy TWTT approach, the time and frequency estimates are Doppler and multipath tolerant, so long as the channel is reciprocal over the synchronization epoch. This technique is experimentally verified using COTS SDRs in a lab environment in static and dynamic scenarios and with significant multipath scatterers. Time, frequency, and phase stability were evaluated by beamforming over coaxial cables to an oscilloscope which achieved time and phase precisions of ~60– 70 ps , with median coherent gains above 99% using optimized coordination parameters, and a beamforming frequency root-mean-square error (RMSE) of 3.73 ppb in a dynamic scenario. Finally, experiments were conducted to compare the performance of this technique with previous works using an analog continuous-wave two-tone (CWTT) frequency reference technique in both static and dynamic settings.

Clock synchronization↗
DOE OSTI2021

Mixing Cell Model: A One-Dimensional Numerical Model for Assessment of Water Flow and Contaminant Transport in the Unsaturated Zone

This report describes the Mixing Cell Model code, a one dimensional model for water flow and solute transport in the unsaturated zone under steady state or transient flow conditions. The model is based on the principles and assumptions underlying mixing-cell model formulations. The unsaturated zone is discretized into a series of independent mixing cells. Each cell may have unique hydrologic, lithologic, and sorptive properties. Ordinary differential equations describe the material (water and solute) balance within each cell. Water-flow equations are derived from the continuity equation, assuming that unit gradient conditions exist at all times in each cell. Pressure gradients are considered implicitly through model discretization. Unsaturated hydraulic conductivity and moisture contents are determined by the material specific moisture-characteristic curves. Solute-transport processes include explicit treatment of advective processes, first order chain decay, and linear sorption reactions. Dispersion is addressed through implicit and explicit dispersion. Implicit dispersion is an inherent feature of all mixing-cell models and originates from the formulation of the problem in terms of mass balance around fully mixed volume elements. Expressions are provided that relate implicit dispersion to the physical dispersion of the system. Two FORTRAN codes were developed to solve the water flow and solute-transport equations: (1) the Mixing Cell Model for Flow (MCMF) solves transient water-flow problems and (2) the Mixing Cell Model for Transport (MCMT) solves the solute-transport problem. The transient water-flow problem is typically solved first by estimating the water flux through each cell in the model domain as a function of time using the MCMF code. These data are stored in either ASCII or binary files that are later read by the solute transport code (MCMT). Code output includes solute pore water concentrations, water and solute inventories in each cell and at each specified output time, and water and solute fluxes through each cell and specified output time. Computer run times for coupled transient water flow and solute transport were typically several seconds on a 2 GHz Intel Pentium IV desktop computer. The model was benchmarked against analytical solutions and finite element approximations to the partial differential equations (PDE) describing unsaturated flow and transport. Differences between the maximum solute flux estimated by the mixing cell model and the PDE models were typically less than two percent. This revision includes an option for a fixed concentration lower boundary condition for diffusive fluxes for versions 020321 and later.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Physical Characterization of Interstellar Comet 2I/2019 Q4 (Borisov)

We present a study of interstellar comet 2I/2019 Q4 (Borisov) using both preperihelion and postperihelion observations spanning late September 2019 through late January 2020. The intrinsic brightness of the comet was observed to continuously decline throughout the timespan, likely due to the decreasing effective scattering cross-section as a result of volatile sublimation with a slope of −0.43 ± 0.02 km{sup 2} d{sup −1}. We witnessed no significant change in the slightly reddish color of the comet, with mean values of 〈g−r〉=0.68±0.04, 〈r−i〉=0.23±0.03, and the normalized reflectivity gradient across the g and i bands (S{sup ′})-bar (g,i)=(10.6±1.4)% per 10{sup 3} Å, all unremarkable in the context of solar system comets. Using the available astrometric observations, we confidently detect the nongravitational acceleration of the comet following a shallow heliocentric distance dependence of r{sub H}{sup −1±1}. Accordingly, we estimate that the nucleus is most likely ≲0.4 km in radius, and that a fraction of ≳0.2% of the total mass of the nucleus has been eroded due to the sublimation activity since the earliest observation of the comet in 2018 December by the time of perihelion. Our morphology simulation suggests that the dust ejection speed increased from ∼4 m s{sup −1} in 2019 September to ∼7 m s{sup −1} around perihelion for the optically dominant dust grains with β∼0.01, and that the observable dust grains are no smaller than micron size.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Elemental analysis of air-sensitive frozen molten salt samples using an inert transfer chamber for LIBS/LA-ICP-TOF-MS analysis

A novel inert sample transfer system was developed and employed to enable, for the first time, the analysis of air-sensitive salt samples in a two-volume ablation cell using simultaneous laser-induced breakdown spectroscopy (LIBS) and laser ablation (LA)-inductively coupled plasma (ICP)-time-of-flight (TOF)-mass spectrometry (MS) analysis. Molten salts are of growing interest as a medium for advanced nuclear reactors and nuclear fuel reprocessing technologies continue to be developed around their use. However, compositional analysis of molten salt samples can be challenging because of their air-sensitive nature and varying solubilities leading to inaccurate measurements when digested. LA-based analysis provides an alternate method to digestion and can provide rapid elemental information with little sample preparation. In this study, LIBS and LA-ICP-TOF-MS were used to analyze the Ce content in frozen salt samples taken from a series of electrochemical experiments. Calibrations were built for each technique, and the resulting limits of detection for Ce were estimated to be 107 and 58 µg g −1 for LIBS and LA-ICP-TOF-MS, respectively. Test samples from the electrochemical experiments were analyzed using these calibrations. The results matched bulk digestion-based ICP-optical emission spectroscopy values, and daily trends in Ce concentration changes were identified. Additionally, the LIBS and LA-ICP-TOF-MS analysis was demonstrated for identifying microgram per gram levels of components and detecting trace contaminants. The impurities detected by LIBS included Al, Mg, Ca, and Na. The impurities detected by LA-ICP-TOF-MS included W, Ag, Al, Fe, Ni, Mo, Nd, Sm, Th, and U.

Andrews, Hunter B. [Oak Ridge National Laboratory ↗