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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 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Catalytic materials for lithium-sulfur batteries: mechanisms, design strategies and future perspective

Lithium-sulfur batteries (LSBs) are attractive candidates for post-lithium-ion battery technologies because of their ultrahigh theoretical energy density and low cost of active cathode materials. However, the commercialization of LSBs remains extremely challenging primarily due to poor cycling performance and safety concerns, which are inherently caused by low conductivity of S 8 and Li 2 S, severe polysulfide shuttling, and high polarization by solid Li 2 S 2 /Li 2 S deposition. Catalytic materials could facilitate the large-scale practical application of LSBs by overcoming all these challenges. In this review, we investigate the sulfur species evolution in LSBs and explore the roles of catalytic materials in charge/discharge processes, highlighting the catalysis of solid S 8 to liquid polysulfides and solid Li 2 S 2 to Li 2 S. Furthermore, we offer systematic strategies from atomic to macro levels, including defect engineering, morphology engineering and catalyst compositing, to enhance catalysis efficiency in terms of sulfur supercooling, fast charge transfer, thiosulfate generation, disulfide bond cleavage, tuneable Li 2 S growth and Li 2 S decomposition enhancement. Finally, the design and availability of the proposed catalytic materials will further advance LSB technology from coin cells and pouch cells to the subsequent commercialization scale.

25 ENERGY STORAGE↗
DOE OSTI2022

Representing Socio‐Economic Uncertainty in Human System Models

Abstract Socio‐economic development pathways and their implications for the environment are highly uncertain, and energy transitions will involve complex interactions among sectors. Here, traditional Monte Carlo analysis is paired with scenario discovery techniques to provide a richer portrait of these complexities. Modeled uncertain input variables include costs of advanced energy technologies, energy efficiency trends, fossil fuel resource availability, elasticities of substitution for labor, capital, and energy across economic sectors, population growth, and labor and capital productivity. The sampled values are simulated through a multi‐sector, multi‐region, recursively dynamic model of the world economy to explore a range of possible future outcomes. We find that many patterns of energy and technology development are possible for various long‐term environmental pathways and that sectoral output for most sectors is little affected through 2050 by the long‐term temperature target, but with tight constraints on emissions, emission intensities must fall much more rapidly. Scenario discovery techniques are applied to the large uncertainty ensembles to explore if there are prevailing storylines behind outcomes of interest. An illustrative investigation focused on different levels of economic growth shows many combinations of pathways and no single storyline emerging for a given economic outcome. This method can be extended to other outcomes of interest, exploring the nature of scenarios with both tail and median outcomes. Sampling from a Monte Carlo generated ensemble provides a rich set of scenarios to investigate, and potentially aids in avoiding heuristic biases in less structured scenario approaches.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2024

Planarization of p -GaN surfaces on MOCVD grown V-defect engineered GaN-based LEDs

The large polarization barriers between the quantum wells and quantum barriers in long-wavelength GaN-based light-emitting diodes (LEDs) inhibit their performance by requiring excess driving voltages to reach standard operating current densities. Lateral injection of carriers directly into quantum wells is required to circumvent this issue. V-defects are naturally occurring inverted hexagonal defects with semipolar {$10\bar{1}1$}-plane sidewalls generated on surface depressions from threading dislocations. LEDs engineered to intentionally generate V-defects below the active region of the LED can achieve lateral carrier injection through the V-defect sidewalls and have already been able to demonstrate world record wall-plug efficiencies for LEDs in the green-red wavelengths. V-defects can be enlarged during kinetically limited growth where the growth rate of the c-plane GaN is faster than that of their sidewalls, leaving them unfilled. We report on the metal organic chemical vapor deposition growth conditions required to fill in V-defects with p-GaN during epitaxial growth of the LED post the active region. Circular transmission length measurements of Pd/Au contacts processed on p-GaN surfaces with various amounts of unfilled V-defects showed no significant difference in their sheet resistance and specific contact resistance. J–V measurements of LEDs grown with varying unfilled V-defect densities showed no significant difference in the forward bias regime. However, in the reverse bias regime, catastrophic breakdown occurred at markedly lower voltages for samples with larger unfilled V-defect densities. This suggests that unfilled V-defects may act as hotspots for device failure, and planarizing LED surfaces may help prevent early degradation of LED devices.

Chemical vapor deposition↗
DOE OSTI2025

Observed declines in leaf nitrogen explained by photosynthetic acclimation to CO 2

Widespread evidence of decreasing leaf nutrients has raised concerns about ecosystem productivity under global change. Interpreting trends in leaf nutrients has important implications for the fate of ecosystem services, particularly the role of forests in mitigating climate change and sustaining quality food sources. Here, we challenge the common interpretation that decreasing leaf nitrogen concentration (LNC) is evidence of increasing nutrient limitations on ecosystem primary productivity. Instead, we show that declines in LNC (4% decrease per 50 ppm CO 2 increase), observed across 409 European forest plots over 22 y, can be explained by reduced photosynthetic nitrogen demand. This regional trend is consistent with leaf acclimation to increasing atmospheric CO 2 according to optimality theory. This finding suggests that enhanced photosynthetic nitrogen use efficiency due to CO 2 fertilization may lead to less nitrogen uptake and/or reallocation of nitrogen for plant growth and other functions. Our results have large implications for understanding and simulating interactions between ecosystem nitrogen and carbon cycles and suggest nitrogen requirements for terrestrial carbon uptake under elevated CO 2 may be lower than previously thought.

CO2 fertilization↗
DOE OSTI2024

Modeling neutrino-induced scale-dependent galaxy clustering for photometric galaxy surveys

Abstract The increasing statistical precision of photometric redshift surveys requires improved accuracy of theoretical predictions for large-scale structure observables to obtain unbiased cosmological constraints. In ΛCDM cosmologies, massive neutrinos stream freely at small cosmological scales, suppressing the small-scale power spectrum. In massive neutrino cosmologies, galaxy bias modeling needs to accurately relate the scale-dependent growth of the underlying matter field to observed galaxy clustering statistics. In this work, we implement a computationally efficient approximation of the neutrino-induced scale-dependent bias (NISDB). Through simulated likelihood analyses of Dark Energy Survey Year 3 (DESY3) and Legacy Survey of Space and Time Year 1 (LSSTY1) synthetic data that contain an appreciable NISDB, we examine the impact of linear galaxy bias and neutrino mass modeling choices on cosmological parameter inference. We find model misspecification of the NISDB approximation and neutrino mass models to decrease the constraining power of photometric galaxy surveys and cause parameter biases in the cosmological interpretation of future surveys. We quantify these biases and devise mitigation strategies.

Astronomy & Astrophysics↗
DOE OSTI2020

A study on the impact of mid-gap defects on vertical GaN diodes

GaN is a favorable martial for future efficient high voltage power switches. GaN has not dominated the power electronics market due to immature substrate, homoepitaxial growth, and immature processing technology. Understanding the impact of the substrate and homoepitaxial growth on the device performance is crucial for boosting the performance of GaN. Here, we studied vertical GaN PiN diodes that were fabricated on non-homogenous Hydride Vapor Phase Epitaxy (HVPE) substrates from two different vendors. We show that defects which stemmed from growth techniques manifest themselves as leakage hubs. Different non-homogenous substrates showed different distribution of those defects spatially with the lesser quality substrates clustering those defects in clusters that causes pre-mature breakdown. Energetically these defects are mostly mid-gap around 1.8Ev with light emission spans from 450nm to 700nm. Photon emission spectrometry and hyperspectral electroluminescence were used to locate these defects spatially and energetically.

42 ENGINEERING↗
DOE OSTI2025

Impact of the LiPF6 Concentration on the Interfacial Charge Transfer and Fast-charging Capabilities of Lithium-Ion Batteries

Fast-charging lithium-ion batteries (LIB) demand optimized electrolyte formulations to balance ionic conductivity, viscosity, and interfacial charge transfer kinetics. This study examines how LiPF 6 concentration shapes solvation structure, desolvation energy, charge transfer activation energy, and solid electrolyte interphase (SEI) properties, which are critical for fast-charging performance. Using Raman spectroscopy, electrochemical cycling, X-ray photoelectron spectroscopy, and atomistic modeling, we analyze how varying LiPF 6 concentrations impact interfacial and bulk transport properties. Our findings show that increasing LiPF 6 concentration alters lithium solvation structures, reduces desolvation energy, and accelerates charge transfer at the electrode interface. Higher concentrations lower the activation energy for charge transfer and suppress excessive SEI growth, improving interfacial kinetics. However, concentrations above a certain threshold increase viscosity and reduce ionic conductivity, limiting transport efficiency. These results offer insights into electrolyte solvation and interfacial charge transfer mechanisms, providing guidelines for designing next-generation fast-charging LIB electrolytes with enhanced efficiency, stability, and longevity.

Son, Seoung-Bum [Argonne National Laboratory (ANL)↗
DOE OSTI2025

A genome-scale metabolic model for the denitrifying bacterium Thauera sp. MZ1T accurately predicts degradation of pollutants and production of polymers

The denitrifying bacterium Thauera sp . MZ1T, a common member of microbial communities in wastewater treatment facilities, can produce different compounds from a range of carbon (C) and nitrogen (N) sources under aerobic and anaerobic conditions. In these different conditions, Thauera modifies its metabolism to produce different compounds that influence the microbial community. In particular, Thauera sp . MZ1T produces different exopolysaccharides with floc-forming properties, impacting the physical disposition of wastewater consortia and the efficiency of nutrient assimilation by the microbial community. Under N-limiting conditions, Thauera sp . MZ1T decreases its growth rate and accelerates the accumulation of polyhydroxyalkanoate-related (PHA) compounds including polyhydroxybutyrate (PHB), which plays a fundamental role as C and energy storage in this β-proteobacterium. However, the metabolic mechanisms employed by Thauera sp . MZ1T to assimilate and catabolize many of the different C and N sources under aerobic and anaerobic conditions remain unknown. Systems biology approaches such as genome-scale metabolic modeling have been successfully used to unveil complex metabolic mechanisms for various microorganisms. Here, we developed a comprehensive metabolic model (M-model) for Thauera sp . MZ1T ( i Thauera861), consisting of 1,744 metabolites, 2,384 reactions, and 861 genes. We validated the model experimentally using over 70 different C and N sources under both aerobic and anaerobic conditions. i Thauera861 achieved a prediction accuracy of 95% for growth on various C and N sources and close to 85% for assimilation of aromatic compounds under denitrifying conditions. The M-model was subsequently deployed to determine the effects of substrates, oxygen presence, and the C:N ratio on the production of PHB and exopolysaccharides (EPS), showing the highest polymer yields are achieved with nucleotides and amino acids under aerobic conditions. This comprehensive M-model will help reveal the metabolic processes by which this ubiquitous species influences communities in wastewater treatment systems and natural environments.

Tec-Campos, Diego (ORCID:0000000188194150)↗
DOE OSTI2023

Energy Community Atlas

The Energy Community Atlas provides efficient access to authoritative, curated, and relevant data that is vital to supporting energy planning, development, and economic growth across the U.S. In this effort, researchers at the National Energy Technology Laboratory (NETL) are utilizing advanced data visualization and transformation capabilities to develop an integrated, data atlas and resource focused on supporting energy community transitions to new manufacturing opportunities. Specifically, this project is working to find, acquire, integrate, and virtually host in a user-friendly, public and private solution from available resources, relevant to understanding and characterizing fossil energy communities themselves and inform energy planning, development, and economic growth opportunities, including opportunities for co-development to support manufacturing, critical materials, and more. This Atlas when complete is to offer a one-stop-shop for stakeholders to derive new insights to accelerate energy investments and strategic decision support needs. These are following datasets that are available as part of this ongoing project • Energy Community Atlas Map Package - This is ArcPro Map package and it contains all of the symbolized layers along with ArcPro map and geodatabase • Energy Community Atlas ArcGIS REST service - https://www.arcgis.com/apps/mapviewer/index.html?panel=gallery&suggestField=true&layers=537ced69bd88440380a62c2ec8aca30c • README Energy Community Atlas - Read me word document that has details about feature classes in Map package, ArcPro map and ArcGIS Rest Service

Bipartisan Infrastructure Law↗
NASA NTRS1977

Technology of GaAs metal-oxide-semiconductor solar cells

The growth of an oxide interfacial layer was recently found to increase the open-circuit voltage (OCV) and efficiency by up to 60 per cent in GaAs metal-semiconductor solar cells. Details of oxidation techniques to provide the necessary oxide thickness and chemical structure and using ozone, water-vapor-saturated oxygen, or oxygen gas discharges are described, as well as apparent crystallographic orientation effects. Preliminary results of the oxide chemistry obtained from X-ray, photoelectron spectroscopy are given. Ratios of arsenic oxide to gallium oxide of unity or less seem to be preferable. Samples with the highest OVC predominantly have As(+3) in the arsenic oxide rather than As(+5). A major difficulty at this time is a reduction in OCV by 100-200 mV when the antireflection coating is vacuum deposited.

Stirn, R. J.↗
NASA NTRS1979

An elastic-plastic analysis of fatigue crack closure in modes I and II

In this paper, an efficient elastic-plastic finite element procedure to analyze crack-closure and, its effects on fatigue crack growth under general spectrum loading, is presented. A hybrid-displacement finite element procedure is used to properly treat the stress and strain singularities near the crack-tip; and crack-growth under cyclic loading is simulated by the translation of certain 'core' elements, near the crack-tip, in which proper stress and strain singularities were embedded. Both pure mode I and mode II types of cyclic loading are considered. In the mode I case, four types of cyclic loading, viz., constant amplitude block loading, high-to-low block loading, low-to-high block, and a single overload in an otherwise constant amplitude block loading are considered; whereas in mode II, only a constant amplitude block loading is considered. Detailed results are presented for the crack-closure and opening-stresses, crack-surface deformation profiles, etc., in each case. Certain observations, based on the present numerical results, concerning various factors that cause crack growth acceleration or retardation under general spectrum loading, are presented and discussed.

Nakagaki, M.↗
NASA NTRS1980

Atmospheric bromine and ozone perturbations in the lower stratosphere

The role of bromine compounds in the photochemistry of the natural and perturbed stratosphere has been reexamined using an expanded reaction scheme and the results of recent laboratory studies of several key reactions. The most important finding is that through the reaction BrO + ClO yielding Br + Cl + O2 there is a synergistic effect between bromine and chlorine which results in an efficient catalytic destruction of ozone in the lower stratosphere. One-dimensional photochemical model results indicate that BrO is the major bromine species throughout the stratosphere, followed by BrONO2, HBr, HOBr and Br. It is shown from the foregoing that bromine is more efficient than chlorine as a catalyst for destroying ozone, and the implications for stratospheric ozone of possible future growth in the industrial and agricultural use of bromine are discussed. Bromine concentrations of 20 pptv (2 x 10 to the -11th power), as suggested by recent observations, can decrease the present-day integrated ozone column density by 2.4%, and can enhance ozone depletion from steady-state chlorofluoromethane release at 1973 rates by a factor of 1.1-1.2.

Yung, Y. L.↗
NASA NTRS1981

On the amplitudes reached by baroclinically unstable disturbances

The maximum eddy energies reached by baroclinically unstable disturbances in some simplified numerical models (Gall, 1976; Simmons and Hoskins, 1978) are compared to a scale-dependent measure of the energy available to the disturbances. It is found that, except for the longest wavelengths, the ratio of the maximum eddy energies to this available energy (the eddy efficiency) tends to remain constant relative to the large variations in the maximum energies. The roles of the growth rate of the initial disturbance and the beta-effect are discussed with reference to results from a maximally simplified model. It is shown that dimensional arguments paralleling Charney (1971) lead to the maximum energy versus scale relationships found in the numerical results.

Schneider, E. K.↗
NASA NTRS1982

Directional solidification of silicon in carbon crucibles by an oscillating crucible technique

The quality of silicon cast by present techniques is limited by the presence of dislocations and grain boundaries in unseeded growth and by cellular structures with dislocation networks in the case of the seeded growth. To address these concerns, a new method of directional solidification called the oscillating crucible technique (OCT) is developed. During growth, a carbon crucible is oscillated to provide for effective stirring of the melt. This growth technique (seeded growth only), along with material characterization and solar-cell fabrication and testing, is described. Solar-cell efficiencies of up to 13 percent at 100 mW/sq cm area obtained in the single crystalline areas. Minority-carrier diffusion lengths exceeding 100 microns are measured even in the polycrystalline areas of the wafers. Limitations of the present setup and possible future improvements are discussed.

Daud, T.↗
NASA NTRS1986

Ge:Be infrared photoconductors

Ge:Be photoconductors were optimized for the 30 to 50 micron wavelength range. Crystal growth of detector quality material requires good control of both the Be and residual impurity doping. Detective quantum efficiencies of n sub d = 46% at 5 A/W were achieved at a photon background of 10 to the 8th power p/s. The responsivity of Ge:Be detectors can be strongly temperature-dependent when the residual shallow levels in the material are closely compensated. Transient responses on the order of approximately 1 second were observed in some materials. The role of residual shallow impurities on the performance of photoconductors doped with semi-deep and deep impurities is discussed.

Haegel, N. M.↗
NASA NTRS1987

The role of regolith adsorption in the transition from early to late Mars climate

Researchers reexamined radiative transfer models of early Mars that were advanced to show the existance of a greenhouse effect. These models were reexamined with regard to the effect that regolith adsorption may have had. It is argued that while the precipitation of carbonates has probably been an important process during Mars history, the rates at which this process could have taken place under early Mars conditions would have dropped sharply once liquid water was fairly scarce. Furthermore, conditions under which liquid water was available may have involved efficient recycling of carbonate so that steady state conditions rather than irreversible CO2 removal prevailed. In contrast, the growth of regolith surface area demands corresponding and predictable CO2 removal from the atmosphere-cap system and is fully capable of terminating any enhanced temperature regime on early Mars in the absence of any other effects.

Fanale, F. P.↗
NASA NTRS1999

Identification and Control of Gravity Related Defect Formation During Melt Growth of Bismuth-Silicate (Bi12SiO20)

In the light of strong indications that a majority of critical defects formed in bismuth silicon oxide (BSO) during growth from the melt is related directly or indirectly to gravitational interference, it is suggested to use the reduced gravity environment of outer space for experimentation directed at the identification and control of these defects. The results of these experiments are expected to lead to advances in our understanding of crystal growth related defect formation in general and will establish a basis for effective defect engineering, the approach to efficient achievement of defect related, application specific properties in opto-electronic materials

Zheng, Y.↗
NASA NTRS2000

A Hybrid Satellite-Terrestrial Approach to Aeronautical Communication Networks

Rapid growth in air travel has been projected to continue for the foreseeable future. To maintain a safe and efficient national and global aviation system, significant advances in communications systems supporting aviation are required. Satellites will increasingly play a critical role in the aeronautical communications network. At the same time, current ground-based communications links, primarily very high frequency (VHF), will continue to be employed due to cost advantages and legacy issues. Hence a hybrid satellite-terrestrial network, or group of networks, will emerge. The increased complexity of future aeronautical communications networks dictates that system-level modeling be employed to obtain an optimal system fulfilling a majority of user needs. The NASA Glenn Research Center is investigating the current and potential future state of aeronautical communications, and is developing a simulation and modeling program to research future communications architectures for national and global aeronautical needs. This paper describes the primary requirements, the current infrastructure, and emerging trends of aeronautical communications, including a growing role for satellite communications. The need for a hybrid communications system architecture approach including both satellite and ground-based communications links is explained. Future aeronautical communication network topologies and key issues in simulation and modeling of future aeronautical communications systems are described.

Kerczewski, Robert J.↗