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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Accurate calculation of many-body energies in water clusters using a classical geometry-dependent induction model

We incorporate geometry-dependent distributed multipole and polarizability surfaces into an induction model that is used to describe the 3- and 4-body terms of the interaction between water molecules. The expansion is carried out up to hexadecapole with the multipoles distributed on the atom sites. Dipole-dipole, dipole-quadrupole, and quadrupole-quadrupole distributed polarizabilities are used to represent the response of the multipoles to an electric field. We compare the model against two large databases consisting of 43,844 3-body terms and 3,603 4-body terms obtained from high level ab initio calculations previously used to fit the MB-pol and q-AQUA interaction potentials. The classical induction model with no adjustable parameters reproduces the ab-initio 3- and 4-body terms contained in these teo Databases with a Root-Mean-Square-Error (RMSE) of 0.104/0.058 and a Mean-Absolute-Error (MAE) of 0.054/0.026 kcal/mol, respectively, results that are on a par with those obtained 1 by fitting the same data using tens of thousands of Permutationally Invariant Polynomials (PIPs). This demonstrates the accuracy of this physically motivated model in describing the 3- and 4-body terms in the interactions between water molecules with no adjustable parameters. The triple-dipole-dispersion energy was included in the 3-body energy and was found to be small but not quite negligible. The model represents a practical, efficient and transferable approach for obtaining accurate non-additive interactions for multi-component systems without the need of performing tens of thousands of high level electronic structure calculations and fitting them with tens of thousands of PIPs.

molecular analysis water, aqueous↗
DOE OSTI2022

Using Calibrated Water Data for Preliminary Validation of the SRT Code for Advanced Reactors

Recent interest and corresponding progress worldwide regarding advanced nuclear reactors has renewed focus on their performance and related safety assessments. Specifically, the U.S. Nuclear Regulatory Commission has emphasized the importance of mechanistic approaches to source term analysis for advanced reactor licensing applications, which attempt to realistically account radionuclide transport and retention phenomena. Further model development is required due to the numerous and complex physical and chemical phenomena associated with mechanistic source term analyses. Reflecting the need for modeling advancement, Argonne National Laboratory developed a mechanistic source term analysis tool for sodium fast reactors. The Simplified Radionuclide Transport (SRT) code describes fuel pin failure (for simulating the initial condition at the point of fuel pin breach), bubble scrubbing, deposition, leakage and following environmental impact. In the current work, a validation study of the SRT bubble scrubbing model is performed using a water-loop experiment performed at the University of Wisconsin-Madison. Through the analysis, the approach and fundamental bubble scrubbing models in SRT, which examine the removal of aerosols within the bubble as it is transported through a pool, have been widely evaluated. The results of the assessment demonstrate a high level of agreement in the regions of greater aerosol size. In the parameter range of minimal aerosol removal, the simulation slightly underpredicts the experiment results; however, considering the scale of plots and huge uncertainties inherently included, the deviation can be judged to be minor and would produce a conservative result. In addition, uncertainty analysis has been further refined to reflect the experimental distribution of parameters including aerosol sizes, which induces a span of performance for each representative aerosol size. Based upon the initial validation results along with uncertainty effects, SRT is expected to provide meaningful insights for the analysis of bubble scrubbing. Future sodium-loop tests will provide further validation basis.

Kam, Dong Hoon↗
DOE OSTI2023

Impact of Drought on Ecohydrology of Southern California Grassland and Shrubland

Abstract Through their rooting profiles and water demands, plants affect the distribution of water in the soil profile. Simultaneously, soil water content controls plant development and interactions within and between plant communities. These plant-soil water feedbacks might vary across plant communities with different rooting depths and species composition. In semiarid environments, understanding these differences will be essential to predict how ecosystems will respond to drought, which may become more frequent and severe with climate change. In this study, we tested how plant-soil water feedbacks responded to drought in two contrasting ecosystem types—grassland and shrubland—in the coastal foothills of southern California. During years 5–8 of an ongoing precipitation manipulation experiment, we measured changes in plant communities and soil moisture up to 2 m depth. We observed different water use patterns in grassland and shrubland communities with distinct plant functional types and water use strategies. Drought treatment did not affect perennial, deep-rooted shrubs because they could access deep soil water pools. However, mid-rooted shrubs were sensitive to drought and experienced decreased productivity and die-off. As a result, water content actually increased with drought at soil depths from 50–150 cm. In grassland, biomass production by annual species, including annual grasses and forbs, declined with drought, resulting in lower water uptake from the surface soil layer. An opportunistic “live fast, die young“ life strategy allowed these species to recover quickly once water availability increased. Our results show how drought interacts with plant community composition to affect the soil water balance of semiarid ecosystems, information that could be integrated into global scale models.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2002

Characterization of Upper Troposphere Water Vapor Measurements during AFWEX using LASE

Water vapor profiles from NASA's Lidar Atmospheric Sensing Experiment (LASE) system acquired during the ARM/FIRE Water Vapor Experiment (AFWEX) are used to characterize upper troposphere water vapor (UTWV) measured by ground-based Raman lidars, radiosondes, and in situ aircraft sensors. Initial comparisons showed the average Vaisala radiosonde measurements to be 5-15% drier than the average LASE, Raman lidar, and DC-8 in situ diode laser hygrometer measurements. We show that corrections to the Raman lidar and Vaisala measurements significantly reduce these differences. Precipitable water vapor (PWV) derived from the LASE water vapor profiles agrees within 3% on average with PWV derived from the ARM ground-based microwave radiometer (MWR). The agreement among the LASE, Raman lidar, and MWR measurements demonstrates how the LASE measurements can be used to characterize both profile and column water vapor measurements and that ARM Raman lidar, when calibrated using the MWR PWV, can provide accurate UTWV measurements.

Ferrare, R. A.↗
NASA NTRS1992

Physical retrieval of precipitation water contents using multisensor microwave data and model constraints

A physical retrieval method is proposed for estimating precipitation water distributions and other geophysical parameters from the Special Sensor Microwave/Imager (SSM/I) data. In the proposed method, sensor antenna functions are explicitly included to accommodate varying channel resolution. An embedded one-dimensional cloud model is utilized to generate vertical distributions of precipitating and nonprecipitating water, and spectral solutions are sought for certain background parameters, such as humidity, which vary more slowly in the horizontal than the cloud and precipitation water contents. The method allows the incorporation of measurements from SSM/T and geostationary infrared measurements in addition to SSM/I data, as well as information from conventional sources (e.g., radiosondes) or numerical forecast model fields.

Olson, William S.↗
NASA NTRS1930

Experiments with a Model Water Tunnel

This report describes a model water tunnel built in 1928 by the NACA to investigate the possibility of using water tunnels for aerodynamic investigations at large scales. The model tunnel is similar to an open-throat wind tunnel, but uses water for the working fluid.

Jacobs, Eastman N↗
NASA NTRS1979

Solar energy retrofit for Clarksville Middle School, Clarksville, Indiana

The solar energy retrofit heating system installed to provide heating for two gymnasiums at the Clarksville Middle School located in Clarksville, Indiana is described in detail. The system type is hot water using existing chilled water piping and chilled water coils in an air handler system. Flat plate, single-glazed selectively coated solar collectors were installed on the roof of each gymnasium. Total collector area covers 6,520 square feet. The liquid is stored in a 10,000 gallon steel tank installed below grade.

Source record↗
NASA NTRS2015

Fundamental Study of a Single Point Lean Direct Injector. Part I: Effect of Air Swirler Angle and Injector Tip Location on Spray Characteristics

Lean direct injection (LDI) is a combustion concept to reduce oxides of nitrogen (NOx) for next generation aircraft gas turbine engines. These newer engines have cycles that increase fuel efficiency through increased operating pressures, which increase combustor inlet temperatures. NOx formation rates increase with higher temperatures; the LDI strategy avoids high temperature by staying fuel lean and away from stoichiometric burning. Thus, LDI relies on rapid and uniform fuel/air mixing. To understand this mixing process, a series of fundamental experiments are underway in the Combustion and Dynamics Facility at NASA Glenn Research Center. This first set of experiments examines cold flow (non-combusting) mixing using air and water. Using laser diagnostics, the effects of air swirler angle and injector tip location on the spray distribution, recirculation zone, and droplet size distribution are examined. Of the three swirler angles examined, 60 degrees is determined to have the most even spray distribution. The injector tip location primarily shifts the flow without changing the structure, unless the flow includes a recirculation zone. When a recirculation zone is present, minimum axial velocity decreases as the injector tip moves downstream towards the venturi exit; also the droplets become more uniform in size and angular distribution.

vortex↗
NASA NTRS2014

Fundamental Study of a Single Point Lean Direct Injector. Part I: Effect of Air Swirler Angle and Injector Tip Location on Spray Characteristics

Lean direct injection (LDI) is a combustion concept to reduce oxides of nitrogen (NOx) for next generation aircraft gas turbine engines. These newer engines have cycles that increase fuel efficiency through increased operating pressures, which increase combustor inlet temperatures. NOx formation rates increase with higher temperatures; the LDI strategy avoids high temperature by staying fuel lean and away from stoichiometric burning. Thus, LDI relies on rapid and uniform fuel/air mixing. To understand this mixing process, a series of fundamental experiments are underway in the Combustion and Dynamics Facility at NASA Glenn Research Center. This first set of experiments examines cold flow (non-combusting) mixing using air and water. Using laser diagnostics, the effects of air swirler angle and injector tip location on the spray distribution, recirculation zone, and droplet size distribution are examined. Of the three swirler angles examined, 60 deg is determined to have the most even spray distribution. The injector tip location primarily shifts the flow without changing the structure, unless the flow includes a recirculation zone. When a recirculation zone is present, minimum axial velocity decreases as the injector tip moves downstream towards the venturi exit; also the droplets become more uniform in size and angular distribution.

Tedder, Sarah A.↗
NASA NTRSDate not supplied

Mitigation of Biofouling in Plant Watering Systems Using AgXX, a Novel Surface Treatment

The development of plant growth systems with high yields and low maintenance for food production is a key focus area for NASA. One of the remaining technical challenges is keeping the plant watering systems clean without affecting plant growth, requiring consumables, or demanding crew time. Plant watering systems, such as the one onboard the International Space Station (ISS), provide a nutrient rich environment for biofilm formation. Frequent maintenance is necessary to prevent biofouling, which currently requires crew time and a mechanical means of cleaning. Better solutions are needed. The current ISS practices for biofilm mitigation in the water recovery and distribution system include the use of biocides (silver ion or iodine) along with regular maintenance (e.g. flushing, filter replacement). These biocide-based strategies could be problematic for plant watering systems, such as in Ohalo, the Exploration Garden, and the APH, due to incompatibilities of the biocides with plants. We propose the application of AgXX, a novel antifouling surface treatment that meets the above requirements. This paper will report on an initial study that was completed to determine whether AgXX would be effective in a plant nutrient solution, and whether it would negatively impact plant growth in a hydroponics-type system.

Tesia D. Irwin↗
DOE OSTI2025

Anion Exchange Membrane Water Electrolysis Using a Catalyst-Coated Membrane Cathode

A catalyst-coated membrane (CCM) approach to electrode fabrication for high pH water electrolysis offers enhanced interfacial contact between the catalyst layer and the membrane surface in comparison to the catalyst-coated substrate (CCS) electrode configuration. The CCM facilitates enhanced ionic and water transport between the cathode and the anion exchange membrane (AEM). This advantage is particularly significant with AEM water electrolysis (compared to proton exchange membrane water electrolysis) because the cathode typically operates under dry conditions and relies solely on diffusive water transport across the AEM from the liquid-fed anode. This study presents a direct performance comparison between CCS and CCM cathode configurations using identical hydrogen evolution reaction (HER) catalysts and other components. The use of a pseudo-reference electrode integrated into the membrane electrode assembly enabled detailed analysis of the CCM cathode polarization behavior. Surface characterization provided insight into the degradation mechanisms associated with the CCM configuration. Optimization of the cathode ionomer cross-link density improved both the cathode polarization performance and the electrolysis device durability. Further optimization of the HER catalyst loading in the CCM cathode resulted in additional gains in the electrolysis efficiency. Collectively, these findings offer valuable guidance for the design and fabrication of high-performance, durable AEM electrolysis CCMs.

Water electrolysis↗
DOE OSTI2026

Mitigation of hydrogen crossover in liquid alkaline water electrolysers using gas recombination catalysts

The rising demand for hydrogen calls for improvements in the efficiency of liquid alkaline water electrolysers (LAWEs), which can be fulfilled by advanced electrodes or separators. Nevertheless, they also intensify hydrogen crossover and safety concerns, thus mandating efficient mitigation strategies. Here we studied the correlation between cathodes and hydrogen crossover behaviours and mitigated safety risks by designing a gas recombination catalyst (GRC). We attribute the elevated hydrogen crossover associated with platinum-based cathodes to their preferential utilization for the hydrogen evolution reaction that creates elevated hydrogen supersaturation, as evidenced by direct measurements of dissolved hydrogen concentration. Varying the placement of platinum layers relative to the cathode–separator interface also supports this conclusion. The implementation of a GRC reduces hydrogen crossover by 95% without affecting LAWE performance and functions for over 1,000 h at 1 A cm−2. This study provides insights into hydrogen supersaturation and the crossover mechanism, as well as offering a promising pathway to enhance the efficiency and reliability of alkaline water electrolysis.

Liu, Haotian↗
NASA NTRS1981

Improvements in lake volume predictions using Landsat data

A cumulative error in the water balance budget for Lake Okeechobee produces a one million acre-foot discrepancy in the predicted water volume over a 4-year period. The major source of error appears to be complex shoreline marshes that comprise 20 percent of the lake surface. The water balance budget model presently treats these marshes as open water. Using Landsat data, the vegetation in the lake's littoral zone was classified multispectrally to provide a data base for determining water budget information. First, the acreage of a given plant species in the littoral zone was obtained with satellite data. Second, the surface area occupied by plants (which therefore could not be considered open water) was used to adjust the vegetation acreage giving an effective water surface. Based on this information, more detailed representations of evapotranspiration and total water surface (and hence total lake volume) could be provided to the water balance budget computation.

Gervin, J. C.↗
DOE OSTI2025

Prediction of hydration energies of adsorbates at Pt(111) and liquid water interfaces using machine learning

Aqueous phase heterogeneous catalysis is important to various industrial processes, including biomass conversion, Fischer–Tropsch synthesis, and electrocatalysis. Accurate calculation of solvation thermodynamic properties is essential for modeling the performance of catalysts for these processes. Explicit solvation methods employing multiscale modeling, e.g., involving density functional theory and molecular dynamics have emerged for this purpose. Although accurate, these methods are computationally intensive. This study introduces machine learning (ML) models to predict solvation thermodynamics for adsorbates on a Pt(111) surface, aiming to enhance computational efficiency without compromising accuracy. In particular, ML models are developed using a combination of molecular descriptors and fingerprints and trained on previously published water–adsorbate interaction energies, energies of solvation, and free energies of solvation of adsorbates bound to Pt(111). These models achieve root mean square error values of 0.09 eV for interaction energies, 0.04 eV for energies of solvation, and 0.06 eV for free energies of solvation, demonstrating accuracy within the standard error of multiscale modeling. Feature importance analysis reveals that hydrogen bonding, van der Waals interactions, and solvent density, together with the properties of the adsorbate, are critical factors influencing solvation thermodynamics. Furthermore, these findings suggest that ML models can provide rapid and reliable predictions of solvation properties. This approach not only reduces computational costs but also offers insights into the solvation characteristics of adsorbates at Pt(111)–water interfaces.

Adsorption↗
NASA NTRS1981

Shallow water experiments using an improved Kreiss-Oliger 2-4 scheme

The Abarbanel-Gottleib (AG) modification of the Kreiss-Oliger (KO) scheme is applied to a global 1-level shallow water model and the results compared to results obtained using the standard KO scheme. The standard KO scheme consists of the second order leapfrog scheme for time derivatives and fourth order space differencing for spatial derivatives. The AG scheme modifies the KO scheme in a manner similar to that done by Wilson to the multidimensional leapfrog scheme, obtaining a 35-40% improvement of the maximum time step. Application of the AG scheme expands the domain of influence of the KO scheme by including off-axis grid points.

Takacs, L. L.↗
NASA NTRS2011

Can Water-Injected Turbomachines Provide Cost-Effective Emissions and Maintenance Reductions?

An investigation has been performed to evaluate the effect of water injection on the performance of the Air Force Research Laboratory (AFRL, Wright-Patterson Air Force Base (WPAFB)) experimental trapped vortex combustor (TVC) over a range of fuel-to-air and water-to-fuel ratios. Performance is characterized by combustor exit quantities: temperature and emissions measurements using rakes, and overall pressure drop, from upstream plenum to combustor exit. Combustor visualization is performed using gray-scale and color still photographs and high-frame-rate videos. A parallel investigation evaluated the performance of a computational fluid dynamics (CFD) tool for the prediction of the reacting flow in a liquid fueled combustor (e.g., TVC) that uses water injection for control of pollutant emissions and turbine inlet temperature. Generally, reasonable agreement is found between data and NO(x) computations. Based on a study assessing the feasibility and performance impact of using water injection on a Boeing 747-400 aircraft to reduce NO(x) emissions during takeoff, retrofitting does not appear to be cost effective; however, an operator of a newly designed engine and airframe might be able to save up to 1.0 percent in operating costs. Other challenges of water injection will be discussed.

Hendricks, Robert C.↗
DOE OSTI2022

West Virginia University Industrial Assessment Center (Final Progress Report)

The Industrial Assessment Center at West Virginia University has been successful in workforce development, and in generation of energy savings for manufacturing facilities during the period 2016 to 2021. Graduate and undergraduate students have benefited from energy assessment experience and most of them have found good positions as energy engineers and analysts in the industrial sector. Several peer reviewed research papers in archival journals as well as conference papers on the topic of energy engineering and assessment have been published. The implemented energy savings for manufacturing facilities have been significant in the areas of lighting, compressed air, process heating, steam, HVAC, chillers and cooling towers, and motors. In addition, water use reduction, smart manufacturing applications to save energy, cyber security evaluation, energy management, productivity improvements and waste reduction opportunities that lead to energy intensity reductions have been explored. The students have obtained an opportunity to interact with energy efficiency and productivity improvement professionals at various conferences and workshops and their research has generated important results. In summary, the West Virginia University Industrial Assessment Center (WVU-IAC) has fulfilled its mission in regard to workforce development, energy efficiency for manufacturing facilities, and laid a strong platform enhancing sustainability through reductions in carbon emissions achieved through energy efficiency and energy management initiatives and reductions in water usage and waste reduction. During the project period (2016-2021) the WVU-IAC has made numerous energy efficiency, water use reduction, waste reduction, and productivity improvement recommendations, a significant number of them having been implemented by the manufacturing facilities. The research adds significant understanding to the area of energy efficiency, water and waste reduction, and productivity improvement. The technical effectiveness and economic feasibility of the methods and techniques investigated and demonstrated through this project have been exemplary, resulting in significant recommended and implemented resource savings and reductions in carbon emissions. The project has been of significant benefit to the public owing to replication of results within the industrial sector, thus reducing operating costs for businesses that result in increase of growth and employment, as well as community benefits in terms of reductions in carbon emissions.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Gaining Real-Time Water Leak Detection

Devens Reserve Forces Training Area is a United States Army Reserve (USAR) Installation that struggles with severe water leaks, often causing significant damage to the facility and requiring major renovation. Traditional water use is highly dependent on occupancy, so it can be difficult to benchmark a facility’s water use. It can be exceptionally difficult when occupancy is transient and/or varies. Pacific Northwest National Laboratory (PNNL) collaborated with Devens to implement real-time monitoring of their water consumption by utilizing the smart meter data from their existing 23 water meters. PNNL created a simple algorithm to calculate hourly water consumption and trigger an alert to be instantly emailed to Devens’ personnel when there appears to be a water leak in any building with a smart water meter. Here, this approach is expected to save hundreds of thousands of dollars in unnecessary water consumption costs and damages from leaks and was implemented with little-to-no costs or service disruptions. Next steps for this project include slow leak detection through nighttime monitoring and to extrapolate this water leak approach to the remainder 360 water meters on USAR’s Enterprise Building Control System so USAR sites across the country can be instantly notified of potential water leaks.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗