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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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DOE OSTI2020

Estimating total attenuation using Rayleigh targets at cloud top: applications in multilayer and mixed-phase clouds observed by ground-based multifrequency radars

At millimeter wavelengths, attenuation by hydrometeors, such as liquid droplets or large snowflakes, is generally not negligible. When using multifrequency ground-based radar measurements, it is common practice to use the Rayleigh targets at cloud top as a reference in order to derive attenuation-corrected reflectivities and meaningful dual-frequency ratios (DFRs). By capitalizing on this idea, this study describes a new quality-controlled approach that aims at identifying regions of cloud where particle growth is negligible. The core of the method is the identification of a “Rayleigh plateau”, i.e., a large enough region near cloud top where the vertical gradient of DFR remains small. By analyzing co-located Ka–W band radar and microwave radiometer (MWR) observations taken at two European sites under various meteorological conditions, it is shown how the resulting estimates of differential path-integrated attenuation (ΔPIA) can be used to characterize hydrometeor properties. When the ΔPIA is predominantly produced by cloud liquid droplets, this technique alone can provide accurate estimates of the liquid water path. When combined with MWR observations, this methodology paves the way towards profiling the cloud liquid water, quality-flagging the MWR retrieval for rain and drizzle contamination, and/or estimating the snow differential attenuation.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Multifrequency radar observations of clouds and precipitation including the G-band

Abstract. Observations collected during the 25 February 2020 deployment of the Vapor In-Cloud Profiling Radar at the Stony Brook Radar Observatory clearly demonstrate the potential of G-band radars for cloud and precipitation research, something that until now was only discussed in theory. The field experiment, which coordinated an X-, Ka-, W- and G-band radar, revealed that the Ka–G pairing can generate differential reflectivity signal several decibels larger than the traditional Ka–W pairing underpinning an increased sensitivity to smaller amounts of liquid and ice water mass and sizes. The observations also showed that G-band signals experience non-Rayleigh scattering in regions where Ka- and W-band signal do not, thus demonstrating the potential of G-band radars for sizing sub-millimeter ice crystals and droplets. Observed peculiar radar reflectivity patterns also suggest that G-band radars could be used to gain insight into the melting behavior of small ice crystals. G-band signal interpretation is challenging, because attenuation and non-Rayleigh effects are typically intertwined. An ideal liquid-free period allowed us to use triple-frequency Ka–W–G observations to test existing ice scattering libraries, and the results raise questions on their comprehensiveness. Overall, this work reinforces the importance of deploying radars (1) with sensitivity sufficient enough to detect small Rayleigh scatters at cloud top in order to derive estimates of path-integrated hydrometeor attenuation, a key constraint for microphysical retrievals; (2) with sensitivity sufficient enough to overcome liquid attenuation, to reveal the larger differential signals generated from using the G-band as part of a multifrequency deployment; and (3) capable of monitoring atmospheric gases to reduce related uncertainty.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2026

Enhancing the efficiency of time-dependent density functional theory calculations of dynamic response properties

X-ray Thomson scattering (XRTS) constitutes an essential technique for diagnosing material properties under extreme conditions, such as high pressures and intense laser heating. Time-dependent density functional theory (TDDFT) is one of the most accurate available ab initio methods for modeling XRTS spectra, as well as a host of other dynamic material properties. However, strong thermal excitations, along with the need to account for variations in temperature and density as well as the finite size of the detector significantly increase the computational cost of TDDFT simulations compared to ambient conditions. In this work, we present a broadly applicable method for optimizing and enhancing the efficiency of TDDFT calculations. Our approach is based on a one-to-one mapping between the dynamic structure factor and the imaginary time density–density correlation function, which naturally emerges in Feynman’s path integral formulation of quantum many-body theory. Specifically, we combine rigorous convergence tests in the imaginary time domain with a constraints-based attenuation of narrow-band fluctuations to improve the efficiency of TDDFT modeling without the introduction of any significant bias. As a result, we can report a speed-up by up to an order of magnitude, thus substantially reducing the burden of computational cost required for XRTS analysis.

Moldabekov, Zhandos A. [Helmholtz-Zentrum Dresden-↗

DOE OSTI2019

Characterization of high-explosive detonations using broadband infrared external cavity quantum cascade laser absorption spectroscopy

Infrared laser absorption spectroscopy provides a powerful tool for probing physical and chemical properties of high explosive detonations. A broadly-tunable swept-wavelength external cavity quantum cascade laser (ECQCL) operating in the mid-wave infrared (MWIR) spectral region is used to measure transmission through explosive fireballs generated from 14 g charges of 4 different explosive types detonated in an enclosed chamber. Analysis of time-resolved transmission and emission at a 2 µs sampling rate shows the evolution of fireball infrared opacity in the first 10 ms after detonation. Broadband high-resolution absorption spectra acquired over the spectral range 2050-2300 cm -1 (4.35-4.88 µm) at a 100 Hz rate are used to measure properties of fireball evolution over longer time scales out to 100 s. Path-integrated concentrations of combustion products CO, CO 2 , H 2 O, and N 2 O are measured and show evolutions over multiple time scales and significant differences between explosive types. Spectral analysis is used to characterize gas temperature and to measure broadband attenuation from absorption and scattering of particulates. In conclusion, analysis of the results provides information on the MWIR optical properties, gaseous detonation/combustion products, and particulates throughout the explosive process including initial detonation, fireball expansion and cooling, and diffusive mixing in the chamber.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

DOE OSTI2025

On the Interplay of Electronic and Lattice Screening on Exciton Binding in Two-Dimensional Lead Halide Perovskites

We use path integral Monte Carlo to study the energetics of excitons in layered, hybrid organic–inorganic perovskites in order to elucidate the relative contributions of dielectric confinement and electron–phonon coupling. While the dielectric mismatch between polar perovskite layers and nonpolar ligand layers significantly increases the exciton binding energy relative to their three-dimensional bulk crystal counterparts, formation of exciton polarons attenuates this effect. The contribution from polaron formation is found to be a nonmonotonic function of the lead halide layer thickness, which is clarified by a general variational theory. Accounting for both of these effects provides a description of exciton binding energies in good agreement with experimental measurements. By studying isolated layers and stacked layered crystals of various thicknesses, with ligands of varying polarity, we provide a systematic understanding of the excitonic behavior of this class of materials and how to engineer their photophysics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Comprehensive defect evaluation of advanced nuclear fuels using high-resolution acoustic signals and optimized sensor separation

Graphite pebble composite structures based on TRistructural-ISOtropic (TRISO) particles are being developed as core nuclear fuels in advanced power reactors, promising safe operation at increased temperatures. Ensuring the structural integrity of these nuclear fuels requires comprehensive and accurate non-destructive evaluation (NDE) techniques to characterize defects and damage in the pebbles. However, traditional acoustic evaluation methods face limitations in defect characterization due to the highly attenuative, and geometrically and compositionally complex nature of these structures. This study proposes an improved acoustic NDE technique for accurate detection and classification of anticipated relevant defects and damage in graphite pebbles using high-resolution acoustic signals and optimized transmit-receive sensor networks. The proposed approach utilizes a triangular three-sensor network as the base unit, comprising three transmit-receive sensors. The sensor separation distance, as well as acoustic excitation center frequency, pulse-width, and bandwidth are optimized to enhance spatial resolution and improve signal-to-noise ratio, enabling effective characterization of the smallest size and widest range of defects in pebbles. Furthermore, the use of the triangular sensor configuration instead of a more conventional transmit-receive sensor pair expands the inspection region from a one-dimensional linear path to a two-dimensional area, increasing spatial coverage. To mitigate challenges associated with processing of complex acoustic signals arising from high-frequency, high-bandwidth excitation in these structures, a machine-learning-based signal processing algorithm is integrated with the sensor network. In the machine-learning-based algorithm, multi-domain features are extracted from the acoustic signals to capture intricate signal characteristics, significantly improving defect identification and classification compared to traditional approaches. The proposed acoustic NDE technique offers considerable promise for practical and reliable defect/damage diagnostics of advanced nuclear pebble fuels.

42 ENGINEERING↗

DOE OSTI2025

Hydrologic response of artificially drained agricultural watersheds: insights from high-resolution integrated surface/subsurface simulations

Artificial drainage systems comprising subsurface networks of perforated pipes (tile drains) and engineered surface ditches are widely used to remove excess water from poorly drained agricultural regions. Artificial drainage lowers the water table by design but also has inadvertent effects on the watershed-scale hydrologic response with important implications for flood risk and nutrient exports. We investigated the effects of tile drains on watershed-scale hydrologic response in the Portage River, OH, Watershed using a high-resolution physically based integrated surface/subsurface hydrology model with recently developed capabilities to represent artificial drainage. Tile drains were found to enhance streamflow during times of low flow, generally consistent with previous studies. Streamflow flashiness was found to have a non-monotonic dependence on tile spacing with a minimum at intermediate spacings (∼50 m). Flashiness and the event hydrographs for small tile spacing were similar to the situation with no tiles, but flow paths from farm to stream were very different for those two end member cases, emphasizing the limitations of the stream hydrograph in characterizing hydrologic response. For typical tile spacings, peak flow can either be enhanced or attenuated by the presence of tiles, depending on the size of the event and the antecedent meteorological conditions. Tiles enhance peak flow when the event is below a threshold of ∼25 mm or when events arrive in dry conditions. Peak flow is reduced by tiles when events are large and arrive in conditions that are not overly dry. The dependence on event size and antecedent conditions is explained by differences in available storage and flow paths to the streams. These results provide additional insights into how tile drainage modulates event-scale hydrologic response, an important control on flood generation mechanisms and nutrient exports.

agricultural watershed↗

DOE OSTI2023

Integration of seismic-pressure-petrophysics inversion of continuous active-seismic monitoring data for monitoring and quantifying CO 2 plume (Final Report)

The overall objective of this project is to develop and validate an integrated package of joint seismic-pressure-petrophysics inversion (jSPPI) of continuous active-source seismic monitoring dataset capable of providing real-time monitoring of CO 2 plume during geologic carbon sequestration (GCS). The three specific developments include: (a) the methodologies for fast seismic full waveform inversion of continuous active source seismic monitoring, (CASSM) datasets for simultaneously estimating velocity and attenuation, and with data assimilation; (b) joint Bayesian petrophysical inversion of seismic models and pressure data for providing and updating CO 2 saturation models; (c) the methods using multiple datasets including (Crainfield and Frio-II borehole) synthetic, laboratory, and field CASSM datasets. The outcomes of jSPPI include (a) a workflow for processing CASSM data, (b) Bayesian inversion algorithms using CASSM data and pressure response data, and (c) integration with data assimilation algorithms for continuously updating site-specific models used for prediction and reservoir management. The validation of joint FWI will be conducted using synthetic models based on the Cranfield and Frio experiments as well as field CASSM datasets collected as part of the Frio-II pilot injection. To quantify and map the mass and distribution of CO 2 (saturation), we will jointly invert velocity and attenuation measurements from the FWI with a Bayesian approach using a rock physics model for attenuation (e.g., White’s attenuation model with two selected patch sizes (White, 1976; Dutta and Seriff, 1979)). The Bayesian inversion will be applied to each time step in the CASSM survey in an updating scheme, which integrates with an ensemble of reservoir simulations at each step. A more complete experimental validation dataset will be collected as part of a mesoscale (2-3 m) gas-CO 2 injection experiment utilizing a higher frequency version of the CASSM system developed for laboratory studies; the integrated inversion will be demonstrated using this dataset which will provide both a dense geometry as well as more precise secondary confirmation measurements (e.g. saturation) typically not available in the field. The resulting real-time map of CO 2 saturation is able to provide a deeper scientific understanding of the complex, time-varying dynamics of subsurface fluid flow migration path as well as the rapid detection of CO 2 leakage hazards.

25 ENERGY STORAGE↗

DOE OSTI2026

Integrated Security-Safety Consequence Study of a Heat Pipe Reactor

This report presents a preliminary demonstration of integrated security/safety consequence modeling to support potential physical security exemption justifications under the new Title 10 Code of Federal Regulations Part 53 licensing pathway, which allows exemptions if sabotage-induced radiological consequences do not exceed 25 rem at the site boundary two hours after release without mitigative actions. A hypothetical heat pipe microreactor subjected to direct sabotage by a 150 lbs. TNT-equivalent high-explosive device was analyzed using a simplified radionuclide release estimate based on DOE-HDBK-3010-94, implemented in the MELCOR severe accident analysis code to model release transport and attenuation through reactor/building compartments, with MELCOR outputs coupled to MACCS to compute offsite doses and the distance-to-threshold metric D 25rem . Six scenarios were evaluated to examine sensitivities to release pathway/building configuration and radionuclide form (vapor versus aerosols with different size distributions). Results show a positive correlation between leak path factor and D 25rem and indicate that reactor building compartmentalization can substantially reduce consequences (a single-story configuration reduced D 25rem by roughly an order of magnitude relative to a cavity-only configuration), while vapor versus aerosol assumptions had limited impact for the modeled two-story case on the spatial grid used.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗