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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 1,657 records · Page 92
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Structural and physical properties of 99 complex bulk chalcogenides crystals using first-principles calculations

Chalcogenide semiconductors and glasses have many applications in the civil and military fields, especially in relation to their electronic, optical and mechanical properties for energy conversion and in enviormental materials. However, they are much less systemically studied and their fundamental physical properties for a large class chalcogenide semiconductors are rather scattered and incomplete. Here, we present a detailed study using well defined first-principles calculations on the electronic structure, interatomic bonding, optical, and mechanical properties for 99 bulk chalcogenides including thirteen of these crytals which have never been calculated. Due to their unique composition and structures, these 99 bulk chalcogenides are divided into two main groups. The first group contains 54 quaternary crystals with the structure composition (A2BCQ4) (A = Ag, Cu; B = Zn, Cd, Hg, Mg, Sr, Ba; C = Si, Ge, Sn; Q = S, Se, Te), while the second group contains scattered ternary and quaternary chalcogenide crystals with a more diverse composition (AxByCzQn) (A = Ag, Cu, Ba, Cs, Li, Tl, K, Lu, Sr; B = Zn, Cd, Hg, Al, Ga, In, P, As, La, Lu, Pb, Cu, Ag; C = Si, Ge, Sn, As, Sb, Bi, Zr, Hf, Ga, In; Q = S, Se, Te; x=1, 2, 3; y=0, 1, 2, 5; z=0, 1, 2 and n=3, 4, 5, 6, 9). Moreover, the total bond order density (TBOD) is used as a single quantum mechanical metric to characterize the internal cohesion of these crystals enabling us to correlate them with the calculated properties, especially their mechanical properties. This work provides a very large database for bulk chalcogenides crucial for the future theoretical and experimental studies, opening opportunities for study the properties and potential application of a wide variety of chalcogenides.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Development and validation of a software for simulating γ-γ coincidence emission and detection probabilities

Gamma-gamma coincidence spectrometers have the potential to significantly enhance detection sensitivity for ultra-trace radionuclide measurements. The implementation of these spectrometers, however, is limited by the complexity of acquisition hardware, data processing and quantification. This work reports development of a novel radionuclide quantification software for γ-γ coincidence measurements. For any radionuclide, the software parses the Evaluated Nuclear Structure Data File (ENSDF) database, recursively simulating all possible γ-γ coincidence signatures and their respective emission and detection probabilities. Implemented using Python programming language, the software employs several strategies to boost overall computational performance. Since coincidence-based spectrometers are of notable interest in monitoring compliance for the Comprehensive Nuclear-Test-Ban Treaty (CTBT), the software’s execution was tested for 84 CTBT-relevant radionuclides. To date, the software has been experimentally validated for 15 radionuclides using the Advanced Radionuclide Gamma spectrOmeter (ARGO) at Pacific Northwest National Laboratory, USA (PNNL). Notably, the software can be operated in convergence mode, whereby coincidence detection efficiency’s convergence behavior can help avoid unreliable radionuclide activity estimates. With growing number of coincidence spectrometers worldwide, this paper aims to assist the radiation metrology community in developing similar software for their system.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

The Durability of Piston Seals in Hydraulic Power Take-off Systems in Wave Energy Converters

Hydraulic cylinder seals are a critical component of hydraulic power take-off (PTO) systems in wave energy converters (WECs). Primary hydraulic piston seal wear is a major concern for the longevity of hydraulic PTOs, especially in the context of the effort and expense associated with seal replacement. Piston seals, made from polymeric elastomers, are used to contain and isolate high pressure fluids within PTO systems. A specific challenge for WEC designers is knowing, with confidence, the relative expected lifetimes of commercially available seals and seal materials for the unique long travel and continuous use case of WEC hydraulic systems. This information is critical to accurately determine operating expense (OPEX) and levelized cost of electricity (LCOE). If failures of seals occur earlier than their designed lifetime, the estimated operations, and maintenance (O&M) and LCOE costs may double based on estimation. Unfortunately, information from seal manufacturers on longevity in these applications is not generally available and quantitative performance comparison between different manufacturers is not available, creating significant uncertainty on use of hydraulic PTO system in wave power generation. In this project, PNNL, with advice from different WEC device and seal manufacturers, has created a framework to address the industry need for available, dependable and comparative data for seals and seals materials for WEC hydraulic applications including piston seals, glide rings, and shaft seals. Commonly used and candidate seal materials were identified and available information on the materials such as mechanical and fatigue performance, chemical (fluid) compatibility, and cost has been compiled. Hardware and strategy for bench scale measurement of key materials and seal performance and pathway for publicly available library of hydraulic seal materials, properties, suppliers, and options have also been identified for future implementation. The results of this project were presented at WPTO Seedling Symposium 2023 and OCEANS 2023. The results of the literature review including identified polymer seals and ideal operating conditions were summaried and compiled to a database WEC-SealsDB hosted locally at PNNL.

16 TIDAL AND WAVE POWER↗
DOE OSTI2023

Preliminary Feasibility of Printing, Microstructure Analysis and Mechanical Performance of a Down Selected Ni Alloy

This report is submitted as completion of a Milestone 3 deliverable under work package ORNL CT-23OR1304051 in support of the Advanced Materials and Manufacturing Technologies (AMMT) program. The AMMT program is aiming at the faster incorporation of new materials and manufacturing technologies into complex nuclear-related systems. An integrated approach, combining advanced characterization, high-throughput and accelerated testing, modeling and simulation including machine learning and artificial intelligence will be employed. While 316H (Fe-16-18Cr-10-14Ni-2-3Mo-0.04-0.1C) has been identified as a key alloy to be integrated into the AMMT accelerated alloy qualification approach due its relevance for many current and future nuclear energy reactors, many other alloys could be considered for the advanced fabrication of innovate high-performance nuclear components. ANL, INL, ORNL and PNNL are collaborating on identifying the most promising alloy candidates relevant for the AMMT program. A selection criteria matrix was established to evaluate the alloys considering their relative importance and technological readiness levels for nuclear energy applications, with a focus on laser powder bed fusion (LPBF). Due to the broad range of potential candidate alloys, ORNL and INL focused on Ni-based alloys, while ANL and PNNL mainly evaluated Fe-based alloys. PNNL previously published materials scorecards reports on several key alloys and this report is providing a broader overview of Ni-based candidate alloys, expending beyond alloys well-known to the nuclear community. Of particular interest are alloys that are currently commercially available in powder form due to the growing demand from other industries that have invested heavily in additive manufacturing. Among these alloys, Haynes 282 (Fe-20Cr-20Co-8Mo) was selected due to its superior strength at high temperature compared to the code-qualified alloy 617 (Ni-20-24Cr-10-15Co-8-10Mo). To assess the integration of this new alloy into the AMMT digital manufacturing framework, we performed the rapid optimization of alloy 282 printing parameters on a Renishaw 250 machine, the fabrication of sufficient materials for extensive characterization and mechanical testing both at ORNL and INL, and added the printing data into the digital platform via the Peregrine software. A detailed analysis of the LPBF 718 alloy was also conducted, with creep specimens being tested at 600-650°C and characterized by advanced electron microscopy. The alloy superior mechanical strength and great printability associated with the extensive database that has already been generated highlight the promising potential of LPBF 718 as a candidate alloy for the AMMT program. INL, ANL and PNNL have generated similar reports and all the information will be compiled into a final M2 milestone report to provide the AMMT leadership team with clear recommendations on the down selection of reactor materials, as well as establish a roadmap for the qualification of these selected alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Results of the first implementation of RF phase signature matching at LANSCE

The LINAC at the Los Alamos Neutron Science Center (LANSCE) has been utilizing the Delta-t method to match the RF cavities to the design acceleration parameters since its commissioning in 1972. The differences in time-of-flight between two subsequent Beam Position and Phase Monitors (BPPMs) are measured with both accelerated and drifting beams, depending on the whether the module is set to on or off. The algorithm optimizes the module amplitude and phase via iterative measurements if the initial phase is in the vicinity of the design value. With an upgrade to a faster readout system, a scan over the whole RF cavity phase range requires relatively less time than the classical optimization procedure. The Phase Scan Signature Matching (PSSM) method provides a time-efficient method that ensures the phase selection lands on the bunching side and empowers future analyses to build module-specific models. The PSSM also utilizes a direct model to determine the correct amplitude to sub-percent level instead of using linearized matrices. Furthermore, lacking a reliable energy measurement method in the LINAC, we measure the beam phases at two downstream locations to increase the precision of energy measurements. In this letter, we also discuss the sensitivities of PSSM, error propagation, and the implementation results for the 2019 and 2020 beam cycles.

47 OTHER INSTRUMENTATION↗
NASA NTRS1994

Obscuration, orientation, and the infrared properties of radio-loud active galaxies

We report on a study of the mid- and far-infrared (MFIR) properties of several different classes of radio-loud active galactic nuclei (AGNs) using the IRAS database. Our goal is to try to improve the understanding of the possible relationships between the diverse classes of AGNs. The MFIR and radio properties of radio-loud AGNs are especially useful in this regard, since (excluding the blazar class, which we do not study here) the radio emission is thought to be emitted isotropically, and the radio and MFIR radiation should be much less affected by dust obscuration than radiation at shorter wavelengths. We have first compared samples of 3CR broad-line radio galaxies (BLRGs) and narrow-line radio galaxies (NLRGs) matched in radio flux and mean redshift. We find that the BLRGs are stronger than the NLRGs by a factor of 4-5 in their mid-IR emission but are similar to the NLRGs in the far-IR. This is qualitatively consistent with recent 'unification' models for NLRGs and BLRGs which invoke thermal MFIR emission from dusty 'obscuring tori,' but there may be an additional source of far-IR emission present in the more luminous broad-line objects (the radio-loud quasars) studied previously by Heckman, Chambers & Postman (1992). We have also compared samples of Fanaroff-Riley class I (FRI) and Fanaroff-Riley class II (FRII) radio galaxies matched in radio flux and redshift. The FRII galaxies are stronger MFIR emitters than the FRI galaxies by a factor of about 4. This is consistent with suggestions that the central engine in FRI galaxies produces relatively little radiant energy per unit jet power (expecially since we find that the weak MFIR emission from the FRI galaxies may not be powered by the AGN). Comparing samples of gigahertz-peaked spectrum (GPS) and compact steep spectrum (CSS) sources versus non-GPS-CSS sources, we find that the GPS-CSS and non-GPS-CSS sources have similar MFIR strengths. This suggests that the efficiency of the conversion of jet kinetic energy into radio emission is not much higher in the GPS-CSS sources, contrary to some theoretical predictions. Overall, we find that the MFIR and radio powers of all the classes of radio-loud AGNs we have studied correlate well with one another over a range of about 10(exp 3) in power. This is most naturally understood if the MFIR is primarily powered by the AGN in most highly luminous radio-loud AGNs. However, other processes (starbursts or the intracluster medium) may contribute significantly in the less radio-luminous radio galaxies.

Heckman, Timothy M.↗
DOE OSTI2024

Multicode benchmark on simulated Ti K-edge x-ray absorption spectra of Ti-O compounds

X-ray absorption spectroscopy (XAS) is an element-specific materials characterization technique that is sensitive to structural and electronic properties. First-principles simulated XAS has been widely used as a powerful tool to interpret experimental spectra and draw physical insights. Recently, there has also been growing interest in building computational XAS databases to enable data analytics and machine learning applications. However, there are non-trivial differences among commonly used XAS simulation codes, both in underlying theoretical formalism and in technical implementation. Reliable and reproducible computational XAS databases require systematic benchmark studies. In this work, we benchmarked Ti K-edge XAS simulations of ten representative Ti-O binary compounds, which we refer to as the Ti-O-10 dataset, using three state-of-the-art codes: XSPECTRA, OCEAN and exciting. We systematically studied the convergence behavior with respect to the input parameters and developed a workflow to automate and standardize the calculations to ensure converged spectra. Our benchmark comparison considers a 35 eV spectral range starting from the K-edge onset, representative of widely used near-edge spectra. Quantitative comparison over this range is based on Spearman’s rank correlation score (r sp ). Our results show: (1) the two Bethe-Salpeter equation (BSE) codes (OCEAN and exciting) have excellent agreement with an average $r$ $sp$ of 0.998; (2) good agreement is obtained between the core-hole potential code (XSPECTRA) and BSE codes (OCEAN and exciting) with an average $r$ $sp$ of 0.990, and this smaller $r$ $sp$ reflects the noticeable differences in the main edge spectral shape that can be primarily attributed to the difference in the strength of the screened core-hole potential; (3) simulations from both methods overall reproduce well the main experimental spectral features of rutile and anatase, and the different treatments of the screened core-hole potential have visible impact on pre-edge intensities and the peak ratio of the main edge; (4) there exist moderate differences in the relative edge alignment of the three codes with a standard deviation of about 0.2 eV, which arise from multiple contributions including the frozen core approximation, final state effects, and different approximations used for the self-energy correction. In conclusion, our benchmark study provides important standards for first-principles XAS simulations with broad impact in data-driven XAS analysis.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Site Characterization of the Highest-Priority Geologic Formations for CO2 Storage in Wyoming

The project Site Characterization of the Highest-Priority Geologic Formations for CO2 Storage in Wyoming is one of 9 site characterization projects that were implemented as part of ARRA (American Recovery and Reinvestment Act). Data from this project was used to improve resolution of data in NATCARB in the area of study. Data related to this study has already been incorporated in NATCARB Atlas. The Wyoming Carbon Underground Storage Project (WY-CUSP) consisted of CO2 storage site characterization and evaluation, focusing on Wyoming’s most promising CO2 storage reservoirs (the Pennsylvanian Weber/Tensleep Sandstone and Mississippian Madison Limestone) and premier CO2 storage site (Rock Springs Uplift). Results from the WY-CUSP project suggest the two reservoirs could store up to 17,000 million tons of CO2. The WY-CUSP team drilled a stratigraphic test well and acquired a 3-D seismic survey covering 25 square miles of the Rock Springs Uplift site. The team retrieved 916 feet of core from the 12,810-foot-deep well, along with a complete log suite, borehole images, fluid samples, and other data. Project partners (1) provided continuous visual documentation of the core, including grain size, mineralogy, facies distribution, and porosity; (2) performed continuous permeability and velocity scans of selected reservoir intervals; and (3) chemically analyzed the fluid samples. WY-CUSP scientists integrated seismic attributes with observations from log suites, a VSP survey, core, fluid samples, and laboratory analyses, including continuous permeability scans. From these integrations, researchers constructed 3-D spatial distribution volumes of reservoir and seal properties that represent geological heterogeneity at the targeted CO2 storage site. The WY-CUSP team used this data to perform new CO2 plume migration simulations. Baker Hughes, Inc., completed a series of small-scale, in-situ water injectivity measurements. A database was formed when observations, analyses, and experiments from the stratigraphic test well were integrated. Correlation of these data allowed petrophysical parameters to be extrapolated from the test well out into the storage domain (5x5 mile 3-D seismic survey volume). This resulted in an improved, realistic understanding of performance assessments for potential CO2 storage scenarios. The WY-CUSP team worked on (1) improving CO2 storage resource estimates, (2) establishing long-term integrity and permanence of confining layers, (3) designing a profitable strategy for pressure management, and (4) evaluating the utilization of stored CO2 at the Rock Spring Uplift. Finally, Baker Hughes developed a microseismic baseline for the test site using in-bore geophones to complete field operations.

3-D seismic↗
DOE OSTI2025

Transformation rate maps of dissolved organic carbon in the contiguous US

Riverine dissolved organic carbon (DOC) plays a vital role in regional and global carbon cycles. However, the processes of DOC conversion from soil organic carbon (SOC) and leaching into rivers are insufficiently understood, inconsistently represented, and poorly parameterized, particularly in land surface and Earth system models. As a first attempt to fill this gap, we propose a generic formula that directly connects SOC concentration with DOC concentration in headwater streams, where a single parameter, the transformation rate from SOC in the soil to DOC leaching flux (P r ), accounts for the overall processes governing SOC conversion to DOC and leaching from soils (along with runoff) into headwater streams. We then derive high-resolution P r maps over the contiguous US (CONUS) using SOC data from two different sources: the Harmonized World Soil Database v1.2 (HWSD) and SoilGrids 2.0. Both maps are developed following the same five major steps: (1) selecting independent catchments where observed riverine DOC data are available with reasonable quality; (2) estimating catchment-average SOC for the independent catchments; (3) estimating the P r values for these catchments based on the generic formula and catchment-average SOC; (4) developing a predictive model of P r with machine learning (ML) techniques and catchment-scale climate, hydrology, geology, and other attributes; and (5) deriving a national map of P r based on the ML model. For evaluation, we compare the DOC concentration derived using the P r map and the observed DOC concentration values at evaluation catchments. The resulting mean absolute scaled error and coefficient of determination are 0.73 and 0.47 for the HWSD-based model and 0.58 and 0.72 for the SoilGrids-based model, respectively, suggesting the effectiveness of the overall methodology. Efforts to constrain uncertainty and evaluate sensitivity of P r to different factors are discussed. To illustrate the use of such maps, we derive a riverine DOC concentration reanalysis dataset over CONUS. The two P r maps, robustly derived and empirically validated, lay a critical cornerstone for better simulating the terrestrial carbon cycle in land surface and Earth system models. Our findings not only set a foundation for improving our predictive understanding of the terrestrial carbon cycle at the regional and global scales, but also hold promises for informing policy decisions related to decarbonization and climate change mitigation. The data presented in this study are publicly available at https://doi.org/10.5281/zenodo.14563816 (Li et al., 2024).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Assessing the hygrothermal performance of bio-based materials in building wall systems

Building envelope systems are crucial in regulating thermal and moisture exchange between interior and exterior environments, accounting for approximately 28 % of building energy consumption in the United States with walls being the primary contributors. Improper selection of building envelope materials can lead to moisture-related issues, reduced resilience, and compromised durability. Hygrothermal performance assessment is a key factor in efficient building design. As such, improving the energy and hygrothermal performance of opaque wall materials, through careful assessment of material choices, is essential to enhancing building resilience, lowering energy costs, and improving occupant comfort. As the building industry seeks new strategies to reduce material energy intensity, bio-based materials emerge as a promising solution. However, their long-term hygrothermal performance in building envelope systems remains underexplored. To fill this gap, this study evaluates the hygrothermal behavior of 13 bio-based materials in residential wall systems across three U.S. climate zones. Laboratory experiments were performed to measure material properties such as density, thermal conductivity, moisture transmission, and sorption isotherms. These data were integrated into the WUFI® simulation tool to assess wall hygrothermal performance in Houston, Baltimore, and Chicago. A three-phase modeling approach was used: (1) baseline residential walls with oriented strand board (OSB) and gypsum board; (2) replacing OSB with bio-based materials; and (3) replacing drywall with bio-based materials. Results showed that the evaluated bio-based materials maintained acceptable moisture thresholds of ≤ 16 % across all climates, confirming their viability as an alternative for current sheathing materials. Furthermore, this study provides a foundation for future research and innovation in material science on the use of certain bio-based materials in high-performance, low energy use residential construction. Ultimately, providing critical data, offering a database of bio-based material properties, and supplying a simulation-based approach will help designers make informed decisions for future efficient building practices.

Bio-based materials↗
NASA NTRS2024

Computational Analysis of the X-57 Maxwell Airplane, the Landing Configuration with High-Lift Blowing and Aileron Deflections (Preliminary Fuselage)

The X-57 Maxwell is an all-electric airplane with a distributed electric propulsion system used for a high-lift system at takeoff and landing conditions. The Kestrel and USM3D flow solvers were used at NASA Langley to investigate the performance of the X-57 Maxwell in the development of an aerodynamic database. The configuration investigated in this paper had a 30° flap deflection, and in addition the pilot’s right aileron were deflected and undeflected in different cases. The solutions were computed at an airspeed of 58 KEAS, for an altitude of 6000 feet, and a flight Reynolds number of 0.588e+06 per foot. To evaluate the high-lift distributed electric propulsion system without aileron deflections, the solutions were computed for an angle-of-attack sweep from −2° to 20°, with the high-lift propellers blowing and the cruise propellers excluded from the simulation. To investigate the aileron effectiveness, the solutions were computed at angles of attack of −2° and 14°, for aileron deflections from −25° to 18° with the high-lift propellers blowing and the cruise propellers windmilling at idle-power. The high-lift propellers and the idle-power cruise propellers were modeled with an actuator disk. Results show negligible differences in lift, drag and pitching moment whether the idle-powered cruise propellers were included or excluded from the simulation. In general, the Kestrel and USM3D codes compared well for lift, drag and pitching moment for the landing configuration with no aileron control. The Kestrel code, using the Spalart-Allmaras turbulence model with the rotation corrections terms, predicted an increasing lift coefficient up to maximum lift coefficient of 4.65 at a 15° angle of attack. The USM3D code, using the Spalart-Allmaras turbulence model turbulence model with the Quadratic Constitutive Relation predicted an increasing lift coefficient up to maximum lift coefficient of 4.5 at a 12° angle of attack, with the lift remaining constant through a 14◦ angle of attack. A possible difference in lift coefficient between the codes for high angles of attack may result from the different available options used with the standard Spalart-Allmaras turbulence model. The Kestrel code predicted more drag across the range of angle of attack than the USM3D code. The codes compared well for pitching moment coefficient across the range of angle of attack. The Kestrel and USM3D codes compared well for aileron effectiveness at a 2° angle of attack. The Kestrel code predicts better aileron effectiveness than USM3D at a 14° angle of attack. There is more flow separation in the region outboard of the last high-lift nacelle for the USM3D solutions at a 14° angle of attack, which diminishes the ability of the aileron to be effective.

X-57 Maxwell Airplane↗
DOE OSTI2021

A high-fidelity residential building occupancy detection dataset

Abstract This paper describes development of a data acquisition system used to capture a range of occupancy related modalities from single-family residences, along with the dataset that was generated. The publicly available dataset includes: grayscale images at 32-by-32 pixels, captured every second; audio files, which have undergone processing to remove personally identifiable information; indoor environmental readings, captured every ten seconds; and ground truth binary occupancy status. The data acquisition system, coined the mobile human presence detection (HPDmobile) system, was deployed in six homes for a minimum duration of one month each, and captured all modalities from at least four different locations concurrently inside each home. The environmental modalities are available as captured, but to preserve the privacy and identity of the occupants, images were downsized and audio files went through a series of processing steps, as described in this paper. This dataset adds to a very small body of existing data, with applications to energy efficiency and indoor environmental quality.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS1993

An experimental study of the sources of fluctuating pressure loads beneath swept shock/boundary-layer interactions

An experimental research program providing basic knowledge and establishing a database on the fluctuating pressure loads produced on aerodynamic surfaces beneath three dimensional shock wave/boundary layer interactions is described. Such loads constitute a fundamental problem of critical concern to future supersonic and hypersonic flight vehicles. A turbulent boundary layer on a flat plate is subjected to interactions with swept planar shock waves generated by sharp fins at angle of attack. Fin angles from 10 to 20 deg at freestream Mach numbers of 3 and 4 produce a variety of interaction strengths from weak to very strong. Miniature Kulite pressure transducers flush-mounted in the flat plate are used to measure interaction-induced wall pressure fluctuations. The distributions of properties of the pressure fluctuations, such as their ring levels, amplitude distributions, and power spectra, are also determined. Measurements were made for the first time in the aft regions of these interactions, revealing fluctuating pressure levels as high as 160 dB. These fluctuations are dominated by low frequency (0-5 kHz) signals. The maximum ring levels in the interactions show an increasing trend with increasing interaction strength. On the other hand, the maximum ring levels in the forward portion of the interactions decrease linearly with increasing interaction sweep back. These ring pressure distributions and spectra are correlated with the features of the interaction flowfield. The unsteadiness of the off-surface flowfield is studied using a new, non-intrusive technique based on the shadow graph method. The results indicate that the entire lambda-shock structure generated by the interaction undergoes relatively low-frequency oscillations. Some regions where particularly strong fluctuations are generated were identified. Fluctuating pressure measurements are also made along the line of symmetry of an axisymmetric jet impinging upon a flat plate at an angle. This flow was chosen as a simple analog to the impinging jet region found in the rear portion of the shock wave/boundary layer interactions under study. It is found that a sharp peak in ring pressure level exists at or near the mean stagnation point. It is suggested that the phenomena responsible for this peak may be active in the swept interactions as well, and may cause the extremely high fluctuating pressures observed in the impinging jet region in the present experimental program.

Settles, G. S.↗
DOE OSTI2020

Validation and Recalibration of the Solubility Models in Support of the Heater Test in Salt Formations

The US Department of Energy Office of Nuclear Energy is conducting a brine availability heater test to characterize the thermal, mechanical, hydrological and chemical response of salt at elevated temperatures. In the heater test, brines will be collected and analyzed for chemical compositions. In order to support the geochemical modeling of chemical evolutions of the brines during the heater test, we are recalibrating and validating the solubility models for the mineral constituents in salt formations up to 100°C, based on the solubility data in multiple component systems as well as simple systems from literature. In this work, we systematically compare the model-predicted values based on the various solubility models related to the constituents of salt formations, with the experimental data. As halite is the dominant constituent in salt formations, we first test the halite solubility model in the Na-Mg-Cl dominated brines. We find the existing halite solubility model systematically over-predict the solubility of halite. We recalibrate the halite model, which can reproduce halite solubilities in Na-Mg-Cl dominated brines well. As gypsum/anhydrite in salt formations controls the sulfate concentrations in associated brines, we test the gypsum solubility model in NaCl solutions up to 5.87 mol•kg –1 from 25 ° C to 50 ° C. The testing shows that the current gypsum solubility model reproduces the experimental data well when NaCl concentrations are less than 1 mol•kg –1 . However, at NaCl concentrations higher than 1, the model systematically overpredicts the solubility of gypsum. In the Na + —Cl – —SO 4 2– —CO 3 2– system, the validation tests up to 100 ° C demonstrate that the model excellently reproduces the experimental data for the solution compositions equilibrated with one single phase such as halite (NaCl) or thenardite (Na 2 SO 4 ), with deviations equal to, or less than, 1.5 %. The model is much less ideal in reproducing the compositions in equilibrium with the assemblages of halite + thenardite, and of halite + thermonatrite (Na 2 CO 3 •H 2 O), with deviations up to 31 %. The high deviations from the experimental data for the multiple assemblages in this system at elevated temperatures may be attributed to the facts that the database has the Pitzer interaction parameters for Cl – —CO 3 2– and SO 4 2– —CO 3 2– only at 25 ° C. Finally, in the Na + —Ca 2+ —SO 4 2– —HCO 3 – system, the validation tests also demonstrate that the model reproduces the equilibrium compositions for one single phase such as gypsum better than the assemblages of more than one phase.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Large Deviations Anomaly Detection (LAD) for collection of multivariate time series data: Applications to COVID-19 data

Time series anomaly detection is frequently used to identify extreme behaviors within a single time series. Identifying extreme trends in relation to a collection of other time series, on the other hand, is frequently of significant interest, such as in public health policy, social justice, and pandemic propagation. Using concepts from large deviations theory , we propose an algorithm that can scale to large collections of time series data. This paper expands on the LAD algorithm presented in Guggilam et al. (2022). The proposed algorithm is an online anomaly detection method for identifying anomalies in a collection of multivariate time series that takes advantage of the algorithm’s ability to scale to high-dimensional data. We show how the proposed Large Deviations Anomaly Detection (LAD) algorithm can be used to identify regions with anomalous trends in COVID-19 cases, deaths, biweekly growth rates, vaccinations, and fatality rates. Several of the observed anomalous trends are associated with regions that have demonstrated poor response to the COVID pandemic.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1993

A regional rainfall climatology over Mexico and the southwest United States derived from passive microwave and geosynchronous infrared data

A three-year climatology of satellite-estimated rainfall for the warm season for the southwest United States and Mexico has been derived from data from the Special Sensor Microwave Imager (SSM/I). The microwave data have been stratified by month (June, July, August), year (1988, 1989, 1990), and time of day (morning and evening orbits). A rain algorithm was employed that relates 86-GHz brightness temperatures to rain rate using a coupled cloud-radiative transfer model. Results identify an early evening maximum in rainfall along the western slope of the Sierra Madre Occidental during all three months. A prominent morning rainfall maximum was found off the western Mexican coast near Mazatlan in July and August. Substantial differences between morning and evening estimates were noted. To the extent that three years constitute a climatology, results of interannual variability are presented. Results are compared and contrasted to high-resolution (8 km, hourly) infrared cloud climatologies, which consist of the frequency of occurrence of cloud colder than -38 C and -58 C. This comparison has broad implications for the estimation of rainfall by simple (cloud threshold) techniques. By sampling the infrared data to approximate the time and space resolution of the microwave, we produce ratios (or adjustment factors) by which we can adjust the infrared rain estimation schemes. This produces a combined microwave/infrared rain algorithm for monthly rainfall. Using a limited set of raingage data as ground truth, an improvement (lower bias and root-mean-square error) was demonstrated by this combined technique when compared to either method alone. The diurnal variability of convection during July 1990 was examined using hourly rain estimates from the Geostationary Operational Environmental Satellite (GOES) precipitation index and the convective stratiform technique, revealing a maximum in estimated rainfall from 1800 to 2100 local time. It is in this time period when the SSM/I evening orbit occurs. A high-resolution topographic database was available to aid in interpreting the influence of topography on the rainfall patterns.

Negri, Andrew J.↗
NASA NTRS2004

The Office of Inspector General (OIG)

The NASA Office of Inspector General is the Federal Law Enforcement Agency at NASA which conducts criminal and regulatory investigations in which NASA is a victim. The OIG prevents and detects crime, fiaud, waste and abuse and assists NASA management in promoting economy, efficiency, and effectiveness in its programs and operations. Investigations (OI) and the Office of Audits (OA). The investigations side deals with criminal Investigations, administrative investigations, and civil investigations. The Audits side deals with inspections and assessments as well as the Auditing of NASA Programs and Activities. Our mission at the OIG is to conduct and supervise independent and objective audits and investigations relating to agency programs and operations; to promote economy, effectiveness and efficiency within the agency; to prevent and detect crime, fraud, waste and abuse in agency programs and operations; to review and make recommendations regarding existing and proposed legislation and regulations relating to agency programs and operations. We are also responsible for keeping the agency head and the Congress fully and currently informed of problems in agency programs and operations. deal with False Claims, False Statements, Conspiracy, Theft, Computer Crime, Mail Fraud, the Procurement Integrity Act, the Anti-Kickback Act, as well as noncompliance with NASA Management Instructions, the Federal Acquisition Regulations (FAR), and the Code of Federal Regulations (CFR). Most of the casework that is dealt with in our office is generated through gum shoe work or cases that we generate on our own. These cases can come from Law Enforcement Referrals, GIDEP Reports, EPlMS (NASA Quality System), Defense Contract Audit Agency, Newspaper Articles, and Confidential Information. In many cases, confidentiality is the biggest factor to informants coming forward. We are able to maintain confidentiality because the 01 is independent of NASA Management and doesn t report to the Center Directors, therefore the informant s mangers and supervisors are unaware of the informants actions. The only time when an informant s confidentiality may be compromised is when it is needed in a Court of Law and is released through a Judicial Court Order. During my tenure here at the NASA OIG/OI at Glenn Research Center, I have been involved in many different tasks. They have ranged from updating Suspected Unapproved Parts case files to independently interviewing NASA employees to turn up general background information. The 01 has the duty of informing NASA aeronautical safety managers of potential Nonconforming products. My mission is to compile a database of Nonconformance reports for distribution. The background information that I turn up from my interviews is then used to determine NASA s susceptibility to acceptance of unapproved parts. The IG organization is divided up into two separate disciplines, the Office of 01 investigations primarily focus on violations of Federal laws. Some of these violations

Macisco, Christopher A.↗
NASA NTRS2004

Global Autocorrelation Scales of the Partial Pressure of Oceanic CO2

A global database of approximately 1.7 million observations of the partial pressure of carbon dioxide in surface ocean waters (pCO2) collected between 1970 and 2003 is used to estimate its spatial autocorrelation structure. The patterns of the lag distance where the autocorrelation exceeds 0.8 is similar to patterns in the spatial distribution of the first baroclinic Rossby radius of deformation indicating that ocean circulation processes play a significant role in determining the spatial variability of pCO2. For example, the global maximum of the distance at which autocorrelations exceed 0.8 averages about 140 km in the equatorial Pacific. Also, the lag distance at which the autocorrelation exceed 0.8 is greater in the vicinity of the Gulf Stream than it is near the Kuroshio, approximately 50 km near the Gulf Stream as opposed to 20 km near the Kuroshio. Separate calculations for times when the sun is north and south of the equator revealed no obvious seasonal dependence of the spatial autocorrelation scales. The pCO2 measurements at Ocean Weather Station (OWS) 'P', in the eastern subarctic Pacific (50 N, 145 W) is the only fixed location where an uninterrupted time series of sufficient length exists to calculate a meaningful temporal autocorrelation function for lags greater than a few days. The estimated temporal autocorrelation function at OWS 'P', is highly variable. A spectral analysis of the longest four pCO2 time series indicates a high level of variability occurring over periods from the atmospheric synoptic to the maximum length of the time series, in this case 42 days. It is likely that a relative peak in variability with a period of 3-6 days is related to atmospheric synoptic period variability and ocean mixing events due to wind stirring. However, the short length of available time series makes identifying temporal relationships between pCO2 and atmospheric or ocean processes problematic.

Li, Zhen↗