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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 829 records · Page 46

Predicting effective thermal and elastic properties of cementitious composites containing polydispersed hollow and core-shell micro-particles

Micro- and nano-sized hollow and core-shell particles (CSPs) have attracted tremendous interests in developing functional cementitious composites and concretes. In this paper, a general method is developed to predict the thermal and elastic properties of cementitious composites containing core-shell and hollow micro-particles. The model follows a two-stage homogenization process – CSP inclusions together with their surrounding interfacial transition zone (ITZ) are first treated as equivalent solid particles, and then the homogenized properties of the composite system are obtained using numerical (i.e., finite element) or analytical (Mori-Tanaka) approaches. Compared with other homogenization methods, the proposed model is easy-to-use and versatile. The numerical model, validated by experimental results, is then used to guide the design of functional cementitious composites. The results show that CSP particle size (or relative shell thickness), volume fraction, shell property, and the size of the ITZ have significant impacts on the effective thermal and elastic properties of cementitious composites; whereas the particle size distribution pattern has relatively minor influence. In addition, the effective property of the composite is more sensitive to the particle property change when CSP inclusions are much stiffer or more thermally conductive than the matrix. Lastly, a scoping study is conducted to elucidate the relationship between the effective thermal conductivity and effective elastic moduli for cementitious composites containing CSP additives with different shell materials, particle sizes, and volume concentrations etc.

36 MATERIALS SCIENCE↗

Physical model and experimental validation of a high temperature proton exchange membrane electrochemical hydrogen pump cell for efficient single-stage extraction of low concentration hydrogen gas

There is interest in valorization of existing natural gas infrastructure to facilitate the co-transportation of hydrogen via blending of hydrogen gas initially at limited concentrations of 1–20 vol% H2 and to subsequently extract hydrogen at fuel cell quality standards (SAE J2719/ISO14687-2). High temperature proton exchange membrane electrochemical hydrogen pump (HT-PEM EHP) based on phosphoric acid doped polybenzimidazole (PA-PBI) exhibits good performance at elevated temperatures (>120 °C), which provides desirable tolerance to non-methane natural gas constituents that are problematic for lower temperature based EHP. To better understand the suitability of the HT-PEM EHP for such gas separation processes, a two-dimensional model of EHP based on PA-PBI was developed. The model is validated for several relevant operating conditions and across cells with differing amounts of phosphoric acid content in the electrodes. Operando micro x-ray computed tomography (CT) imaging of an HT-PEM EHP was used to further validate physical parameters and assumptions of the model. The impacts of pressure, relative humidity of the anode feed, and concentration of feed gases on separation performance are investigated. This study shows that a specific energy of separation of 5.1 kWh/kg H2 at a hydrogen recovery factor (HRF) of 50 vol% can be achieved in a single stage with the EHP, producing fuel cell quality hydrogen purity of 99.99 vol% H2 from a 2 vol% H2/CH4 feed blend, while pressurizing the product H2 at a pressure ratio of 1.3 relative to feed pressure.

Stansberry, John M↗

A baseline for ensemble-based, time-resolved inflow reconstruction for a single turbine using large-eddy simulations and latent diffusion models

We are interested in reconstructing winds flowing through a turbine on a second-by-second basis over a 10 min window. Previously, we developed a machine learning algorithm that takes in a snapshot of wind speed measurements and generates ensembles of three-dimensional wind field estimates. Here, we use these estimates as initial conditions in large-eddy simulations and reconstruct atmospheric and turbine response dynamic quantities in a synthetic field campaign. In doing so, we establish a baseline for model validation that future time-aware data assimilation techniques will be compared to. In turbine-free case studies, ground truth wind speeds consistently fall within our estimated wind speed distribution for the first 100 s after the simulation start. In simulations with turbines, the wind estimates show a small bias of 0.10 m s 1 and good correlation of 0.80 during the first 100 s. During this window, our estimates of the Blade 1 bending moment and generator power typically span the ground truth, with the estimate of the former performing better overall. In summary, this approach shows promise as a stand-alone technique for reconstructing real-world inflow and turbine dynamics in 1-2 min windows and as a foundation for future time-aware data assimilation techniques.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Multiscale, mechanistic modeling of cesium transport in silicon carbide for TRISO fuel performance prediction

Understanding cesium (Cs) transport in TRistructural ISOtropic (TRISO) particle fuel is crucial for predicting fission product release in high-temperature reactors. However, current challenges include significant scatter in diffusivity data and unexplained temperature-dependent diffusion regimes in the silicon carbide layer. This study addresses these challenges by developing a multiscale, mechanistic Cs transport model integrating atomistic simulations and phase field modeling. Our model quantifies temperature and grain size effects on Cs diffusivity, attributing experimentally observed regimes to a transition from bulk-dominated diffusivity at high temperatures to grain boundary-dominated diffusivity at lower temperatures. The model, validated against diffusion measurements and advanced gas reactor (AGR)-1 and AGR-2 post-irradiation fission product release data, enhances the predictive capability of the BISON fuel performance code. This study advances our understanding of Cs release from TRISO particles and its dependence on temperature and silicon carbide grain size, with implications for the safety and efficiency of high-temperature nuclear reactors.

BISON↗

A 30-yr high-resolution weather research and forecasting model downscaling data over California and Nevada

This dataset presents a 30-year high resolution meteorological dataset obtained using the WRF model (Advanced version Research WRF version 4.4). We used WRF and European Centre for Medium-Range Weather Forecasts Reanalysis v5 as initial and boundary conditions to generate gridded meteorological variables. A large number of surface weather stations was used for model validation. A multi-physics analysis was first developed to identify a good physics suite extended from 6 November 00 UTC to 10 November 23 UTC, 2018, which included the Camp Fire in northern California. Based on the best physics suite, the downscaling dataset extends from 1 December to 28 February, 1990–2021 and the horizontal domain has 1.5 km grid spacing covering the entire states of California and Nevada in the United States. Comparisons between hourly surface observations and WRF simulations of air temperature, relative humidity and wind speeds show mean absolute errors on the order of (1.6-2.0 C), (10 %) and 1.2–1.5 m s -1 , respectively.

54 ENVIRONMENTAL SCIENCES↗

Development and Validation of Resistance-Capacitance Model (RCM) for Phase Change Material (PCM) Embedded in 3D Periodic Structures

The low thermal conductivity of Phase Change Materials (PCM) can be improved with extended surfaces such as additively manufactured 3D periodic lattice structures. Three different aluminum alloy-based lattices (base sizes 10, 20, and 40 mm) with average porosity of 0.95 filled with paraffin wax, with a nominal phase change temperature of 55°C, were experimentally investigated. In this work, a computationally efficient 2D Resistance Capacitance-based model (RCM) was developed for predicting the thermal characteristics of these geometries. Non-uniform porosity in the PCM-metal domain was estimated using image processing and served as model input. The solver does not solve for higher-order physics as in CFD but still can provide a good prediction of thermal resistance and energy storage at a very low computational cost. The simulation-to-real-time factor for this geometry is of the order of 10-4, while CFD simulations typically have a real-time factor greater than 1. The model was validated against the experimental data for melting under three different heat fluxes (6250 W/m2, 12500 W/m2, and 18750 W/m2). The mean deviation of the predicted average PCM temperature was between 1.34 K-2.81 K for different cases. The maximum average temperature deviation of 5.45 K was observed for the 20 mm geometry at the highest heat flux test condition. The effects of natural convection were neglected in the model, but the predicted PCM temperature and energy storage still showed good agreement with the experimental data.

25 ENERGY STORAGE↗

Comparing evapotranspiration from Eddy covariance measurements, water budgets, remote sensing, and land surface models over Canada a, b

Here, this study compares six evapotranspiration ET products for Canada's landmass, namely, eddy covariance EC measurements; surface water budget ET; remote sensing ET from MODIS; and land surface model (LSM) ET from the Community Land Model (CLM), the Ecological Assimilation of Land and Climate Observations (EALCO) model, and the Variable Infiltration Capacity model (VIC). The ET climatology over the Canadian landmass is characterized and the advantages and limitations of the datasets are discussed. The EC measurements have limited spatial coverage, making it difficult for model validations at the national scale. Water budget ET has the largest uncertainty because of data quality issues with precipitation in mountainous regions and in the north. MODIS ET shows relatively large uncertainty in cold seasons and sparsely vegetated regions. The LSM products cover the entire landmass and exhibit small differences in ET among them. Annual ET from the LSMs ranges from small negative values to over 600 mm across the landmass, with a countrywide average of 256 ± 15 mm. Seasonally, the countrywide average monthly ET varies from a low of about 3 mm in four winter months (November-February) to 67 ± 7 mm in July. The ET uncertainty is scale dependent. Larger regions tend to have smaller uncertainties because of the offset of positive and negative biases within the region. More observation networks and better quality controls are critical to improving ET estimates. Future techniques should also consider a hybrid approach that integrates strengths of the various ET products to help reduce uncertainties in ET estimation.

54 ENVIRONMENTAL SCIENCES↗

Theoretical background for a fast flow liquid metal divertor experiment

Tokamak Energy has developed a liquid metal experiment featuring a lithium loop that circulates lithium through the HIDRA stellarator at the University of Illinois at Urbana-Champaign. The loop includes a replaceable divertor module, designed to demonstrate fast, steady, open-surface liquid metal flow. The first-generation divertor module was deliberately kept simple—an open-surface chute—to enable modelling validation and establish a benchmark for future design iterations. This paper presents the theoretical foundations of the experimental design. Specifically, we identify module overflooding as the primary challenge and determine the limits of fluid velocity and magnetic field strength necessary to prevent it. The steady-state flow patterns are expected to exhibit relatively slow surface velocities, which do not fully align with the fast-flow concept. Nevertheless, the experiment is designed to achieve controllable, continuous open-surface flow within an operational fusion device, representing a significant step toward the development of liquid metal divertor technology.

Experiment↗

Validation of MARS-F modeling of plasma response to RMPs using internal measurements on DIII-D

The linear resistive plasma response model is validated against the plasma internal measurement data from DIII-D edge-localized mode (ELM) control experiments with applied resonant magnetic perturbation (RMP). Considered are DIII-D discharges where the n = 1, 2, and 3 (n is the toroidal mode number) RMP field was applied. Experimental data for the plasma boundary displacement, as well as the three-dimensional (3D) pressure perturbation in the edge pedestal region, are deduced from the vertical Thomson scattering (TS) system and the horizontal charge exchange recombination (CER) system on DIII-D. The linear response model produces results that are in reasonable quantitative agreement with the DIII-D internal measurements. The plasma boundary displacement of up to 15 mm is modeled, with the pedestal pressure perturbation reaching 3 kPa. As an important insight, the larger plasma displacement measured by the vertical TS system, as compared to that measured by the horizontal CER system, is due to the contribution from the tangential component of the plasma displacement to the former. This mixing of displacement components is also found to influence the sensitivity of the CER measurement comparisons. The results of this study provide further confidence in the linear resistive plasma response model for analyzing ELM control experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Climate change is intensifying rainfall erosivity and soil erosion in West Africa

Soil erosion is a critical environmental challenge with significant implications for agriculture, water quality, and ecosystem stability. Understanding its dynamics is essential for sustainable environmental management and societal welfare. Here, we analyze rainfall erosivity and erosion patterns across West Africa (WAF) during the historical (1982–2014), near future (2028–2060), and far future (2068–2100) periods under Shared Socioeconomic Pathways (SSPs 370 and 585). Using bias-corrected-downscaled (BCD) climate models validated against reference data, we ensure an accurate representation of rainfall—a key driver of erosivity (R-factor) and soil erosion. We compare Renard's approach and the Modified Fournier Index (MFI) to calculate the R-factor and note a strong correlation. However, Renard's method shows slightly lower accuracy in Sierra Leone, Guinea, and The Gambia, likely due to its inability to capture high-intensity, short-duration rainfall events. In contrast, the MFI, utilizing continuous rain gauge data, proves more reliable for these regions. We also attribute fluctuations in erosivity, such as those seen during the 2003 West Africa floods, to synoptic weather patterns influenced by multiple climate processes. Furthermore, our analysis reveals regions where future soil erosion could exceed 20 t/ha/yr due to climate change. Under the SSP 370 scenario, soil erosion in WAF is projected to rise by 14.84 % in the near future and 18.65 % in the far future, increasing further under SSP 585 to 19.86 % and 23.49 %, respectively. The most severe increases are expected in Benin and Nigeria, with Nigeria potentially facing a 66.41 % rise in erosion by the far future under SSP 585. These findings highlight the region's exposure to intensified climatic conditions and underscore the urgent need for targeted soil management and climate adaptation strategies to mitigate erosion's ecological and socioeconomic impacts.

54 ENVIRONMENTAL SCIENCES↗

Williston Basin Resource Study for Commercial-Scale Subsurface Hydrogen Storage

The Energy & Environmental Research Center (EERC), in partnership with the U.S. Department of Energy (DOE) National Energy Technology Laboratory (NETL), the EERC’s State Energy Research Center (SERC), MPLX Operations LLC, and TC Energy Development Holdings Inc. (a subsidiary of TC Energy Corporation), studied the potential for subsurface hydrogen storage and recovery in the Williston Basin of western North Dakota. The project’s goal was to evaluate the feasibility of large-scale, secure geologic H 2 storage to support future hydrogen generation, storage, and use. This work included laboratory testing, H 2 –rock–fluid exposure experiments, literature reviews on H 2 embrittlement, and reservoir modeling and simulations. The study included an assessment of storage potential across three types of storage reservoirs using both reservoir simulation and DOE’s web-based tool SHASTA-HELP (Subsurface Hydrogen Assessment, Storage, and Technology Acceleration – Hydrogen Estimator for Logistical Planning), as well as investigation of potential H 2 production and markets for commercial-scale deployment. Building on prior EERC gas storage research, three storage options were selected for detailed evaluation: the Broom Creek Formation (a clastic saline reservoir), the Dickinson Lodgepole Mounds (DLM) complex (carbonate mud mound structures) of the Lodgepole Formation (an active oil and gas producing reservoir), and the Dunham Salt Interval of the Piper Formation (to be used for engineered salt cavern development). These targets were prioritized based on prior EERC research using datasets related to seal capacity, reservoir quality, mechanical integrity, and injectivity. Exposure tests on Broom Creek and DLM samples showed mineral dissolution and precipitation that increased brine salinity and altered reservoir rock surfaces. Although these results provide useful insight, they are limited by small sample sizes and short-term (30-day) exposure, requiring further study to assess long-term storage integrity. Salt formations were not tested because of their known nonreactivity and established mechanical stability. Results of reservoir simulations performed for a single site demonstrated that the Broom Creek Formation may be capable of receiving up to 42,000 tonnes of injected H 2 over 7 months via one well. H 2 recovery took place over 5 months, resulting in approximately 26,000 tonnes (~62% without cushion gas [CG]). This work suggests water production may be important and subsequent cycles of injection and production may perform more efficiently; however, significant site-specific work in the future is needed to assess actual reservoir performance of injection and withdrawal of H 2 storage. For oil reservoir potential, a multiple-well model was used to simulate injection of approximately 32,000 tonnes of H 2 into a single wellbore while simultaneously producing in place reservoir fluids from four offset wells to maintain reservoir pressure. The simulation results suggested a high recovery (~98%); in addition, cost advantages through existing infrastructure could be realized. Challenges in this reservoir include vi managing gas purity and leakage risks. In both scenarios, production of H 2 takes place in a single-well scenario with 10 cycles (7 months of injection and 5 months of production) over 10 years. Finally, the use of engineered caverns in the Dunhan Salt was evaluated, and the results suggest that while they have a smaller capacity (<1000 tonnes per cavern), they exhibit nearly complete gas recovery (>99%), fast response times, and low purity risk. While caverns in North Dakota may be smaller in capacity, fields can be developed in galleries to accommodate the volumetric needs and rapid turnaround times necessary to meet market demands. Geographic limitations and thin salt intervals in North Dakota may represent less total storage potential than salt domes elsewhere, but significant opportunities exist to expand this market for gas storage in North Dakota. A basinwide assessment was performed to estimate a first-of-its-kind value for H 2 storage on a large scale. DOE’s SHASTA-HELP, combined with EERC simulation work, was used to perform the assessment. Estimated H 2 storage potential varied widely for each formation type. The Broom Creek saline formation was estimated to have a storage potential of approximately 1.7–90.5 million tonnes (MMt). The DLM oil reservoirs were estimated to have 0.07–0.19 MMt of capacity. Notably, each of these estimates relies on significant assumptions regarding reservoir thickness, porosity, permeability, and CG needed for operation. Much research is needed to understand the true site-specific storage resource potential of each formation. Using the Dunham Salt Interval for cavern development may result in as much as 4.79 MMt (up to 2.87 MMt working gas) of H 2 storage potential. An important note for consideration is that the values presented here need significantly more geological characterization and engineering assessments prior to gaining confidence in performance. This will be a focal point for future research and development needs. The basinwide evaluation also indicated that North Dakota has significant H 2 generation potential, with estimates up to a possible 13 MMt annually, suggesting a substantial opportunity for H 2 market development and thus the need for commercial-scale H 2 storage to facilitate growth and resilience. Key Recommendations 1. Conduct detailed site characterization (3D seismic, well logs, core sampling) to reduce geologic uncertainty. 2. Perform techno-economic analyses incorporating market, regulatory, and incentive frameworks. 3. Investigate long-term interactions among H 2 , CGs, well materials, and formations to assess risks. 4. Develop pilot- and field-scale demonstrations to validate models and establish best practices.

03 NATURAL GAS↗

A Review of Global Precipitation Data Sets: Data Sources, Estimation, and Intercomparisons

Abstract In this paper, we present a comprehensive review of the data sources and estimation methods of 30 currently available global precipitation data sets, including gauge‐based, satellite‐related, and reanalysis data sets. We analyzed the discrepancies between the data sets from daily to annual timescales and found large differences in both the magnitude and the variability of precipitation estimates. The magnitude of annual precipitation estimates over global land deviated by as much as 300 mm/yr among the products. Reanalysis data sets had a larger degree of variability than the other types of data sets. The degree of variability in precipitation estimates also varied by region. Large differences in annual and seasonal estimates were found in tropical oceans, complex mountain areas, northern Africa, and some high‐latitude regions. Overall, the variability associated with extreme precipitation estimates was slightly greater at lower latitudes than at higher latitudes. The reliability of precipitation data sets is mainly limited by the number and spatial coverage of surface stations, the satellite algorithms, and the data assimilation models. The inconsistencies described limit the capability of the products for climate monitoring, attribution, and model validation.

54 ENVIRONMENTAL SCIENCES↗

Energetic Particle Data From the Global Positioning System Constellation

Abstract Since 2000, Los Alamos National Laboratory (LANL) Combined X‐ray and Dosimeter (CXD) and Burst Detector Dosimeter for Block II‐R (BDD‐IIR) instruments have been fielded on Global Positioning System (GPS) satellites. Today, 21 of the 31 operational GPS satellites are equipped with a CXD detector and a further 2 carry a BDD‐IIR. Each of these instruments measures a wide range of energetic electrons and protons. These data have now been publicly released under the terms of the Executive Order for Coordinating Efforts to Prepare the Nation for Space Weather Events. The specific goal of releasing space weather data from the GPS satellites is to enable broad scientific community engagement in enhancing space weather model validation and improvements in space weather forecasting and situational awareness. The time period covered by this data release is approximately 16 years, which corresponds to more than 167 satellite years of data. The large number of GPS satellites, distributed over six orbital planes, will provide important context for ongoing and historical science missions, as well as enabling new types of research not previously possible.

54 ENVIRONMENTAL SCIENCES↗

Filament Formation in TaO x Thin Films for Memristor Device Application: Modeling Electron Energy Loss Spectra and Electron Transport

Abstract Although understanding filament formation in oxide‐based memristive devices by theory has emerged, there are still fundamental unanswered questions. Importantly, for practical application of thin films the material in its amorphous state is to be considered, but mostly lacking so far, and details on sub‐stoichiometry are also scarce. To gain insight into the optical and electronic properties of sub‐stoichiometric amorphous tantalum oxide (TaO x ), the electron energy loss spectrum (EELS) of model systems is characterized theoretically and electron transport characteristics are analyzed in detail. Calculated blue‐shifts by increasing sub‐stoichiometry explained the measurements, potentially suggesting estimation of oxygen vacancy concentrations through EEL spectra. Electron transport results based on TaO x material models validated by EELS measurements show that oxygen vacancy filamentary paths are initiated at low bias upon increasing sub‐stoichiometry yet noting an interplay with the local amorphous structure. Contact resistances at interfaces of the TaO x switching layer and a tantalum scavenging layer or titanium nitride electrode are quantified, indicating the possibility for either oxygen vacancy‐ or metal cluster‐based conduction mechanisms at the interface. The computational work, combined with experimental characterization for validation, provides a basis for investigating effects of sub‐stoichiometry on filament formation in TaO x thin film memristive devices.

36 MATERIALS SCIENCE↗

Experimental investigation on multiscale hydrodynamics in a novel gas–Liquid–Solid three phase jet-Loop reactor

Multiphase flow hydrodynamics in a novel gas–liquid–solid jet-loop reactor (JLR) were experimentally investigated at the macroscales and mesoscales. The chord length distribution was measured by an optical fiber probe and transformed for bubble size distribution through the maximum entropy method. The impacts of key operating conditions (superficial gas and liquid velocity, solid loading) on hydrodynamics at different axial and radial locations were comprehensively investigated. JLR was found to have good solid suspension ability owing to the internal circulation of bubbles and liquid flow. The gas holdup, axial liquid velocity, and bubble velocity increase with gas velocity, while liquid velocity has little influence on them. Compared with the gas–liquid JLRs, solids decrease the gas holdup and liquid circulation, reduces the bubble velocity and delays the flow development due to the enhanced interaction between bubbles and particles (Stokes number >1). This work also provides a benchmark data for computational fluid dynamics (CFD) model validation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗