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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 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Segregation of Al and its effect on coercivity in Nd-Fe-B

Doping a small amount of Al can effectively enhance coercivity in Nd-Fe-B magnets. Here we investigated the partitioning behavior of Al and its effect on coercivity in Nd-Fe-B using first principles DFT (density functional theory) calculation and micromagnetic simulation. The calculated substitution energies of Fe by Al are negative at the crystallographic sites of 4c and 8j 2 while they are positive values at the other sites in Nd 2 Fe 14 B (2:14:1), implying a small solubility of Al in 2:14:1. Further, Al prefers to segregate at grain boundary (GB) and stabilize the Nd-Fe-Al phase with a Nd 6 Fe 13 Si-type tetragonal structure (6:13:1). The formation of the antiferromagnetic or weak ferrimagnetic 6:13:1-like phase depletes Fe and reduces the amount of ferromagnetic Nd–Fe type grain boundary phase (GBP), which weakens the inter-grain magnetic interaction. Micromagnetic simulations indicate that the 6:13:1-like GBP increases the pinning field of magnetic domain wall at GB and suppresses the nucleation of reversal magnetic domain on the grain surface of 2:14:1 during demagnetization process. The formation of Al-rich shell on 2:14:1 grain surface can further moderately increase the domain pinning field at GB and the nucleation field of 2:14:1 grain. Developing novel processing method to tailor Al segregation and promote formation of 6:13:1-like phase at GB can be a promising approach to improve coercivity in Nd-Fe-B magnet.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Review and Modeling of Integrated Energy Systems with Nuclear Reactor Coupled Desalination and District Heating

Detailed reviews of a past advanced nuclear reactor based integrated energy system, as well as other nuclear reactor and fossil fuel based integrated energy systems have been performed for this work. Review of the utilization of heat from nuclear reactors for various applications and cogeneration has been done. The heat can be utilized by extraction of the steam from the turbine while the steam is still at a desired temperature. While use of nuclear process heat for district heating in countries like Finland, France, China, Poland, and elsewhere is discussed, more focus of the review has been given on nuclear desalination processes. Integrated energy systems (IES) where distinct types of reactors like PWR, BWR, sodium cooled fast reactor, heavy water reactor and other advanced reactors are coupled with various nuclear desalination processes like multi-effect distillation (MED), multi-stage flashing (MSF) and reverse osmosis (RO) methods have been discussed. The nuclear desalination plant at Aktau has been discussed in more detail due to its decades of successful operation. The IES of the Aktau plant coupled with 5-effect MED desalination plant has been taken as a reference for modeling the Open Modelica (OM) based IES of this work. Here, the OM IES model shows good agreement with the MED plant output of Aktau and can be extended for future applications of IES.

42 ENGINEERING↗
DOE OSTI2021

Transition metal dichalcogenide monolayers in an ultrashort optical pulse: Femtosecond currents and anisotropic electron dynamics

We theoretically study the interaction of an ultrafast intense linearly polarized optical pulse with monolayers of transition metal dichalcogenides (TMDCs). Such a strong pulse redistributes electrons between the bands and generates femtosecond currents during the pulse. Due to the large bandwidth of the incident pulse, this process is completely an off-resonant. While in TMDCs, the time-reversal symmetry is conserved, the inversion symmetry is broken, and these monolayers have axial symmetry along the armchair direction but not along with the zigzag one. The pulse, polarized along with asymmetric directions of TMDC monolayer, generates both longitudinal, i.e., along the direction of polarization, and transverse, i.e., in the perpendicular direction, currents. Such currents result in charge transfer through the system. Finally, we study different TMDC materials and show how the femtosecond transport in TMDC monolayers depend on their parameters, such as lattice constant and bandgap.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Experimental Benchmarking for High-Reproducibility, Cross-Institutional Evaluation of Iron Redox Electrochemistry

We present a practical case study standardizing experimental protocols between collaborators with the goal of understanding ferrous iron (Fe 2+ ) chemistry and improving the iron deposition reaction for energy-efficient, electrochemical iron production. The study of iron reactions can be difficult, as aqueous iron electrolytes exhibit complex behaviors that can lead to differing interpretation of ostensibly similar experiments. The question we want to answer: are we studying the same chemistry? Our protocols address inherent challenges such as the tendency for Fe 2+ to spontaneously oxidize to ferric iron (Fe 3+ ) and the production of hydrogen at the potentials of interest. Our standardized protocol, executed by four collaborators in different labs and institutions, yields high-reproducibility results, and identified glassy carbon electrode surface quality and Fe 3+ impurities in the salt as key factors with outsized effects on cyclic voltammetry measurements. The process of developing the protocols helped to troubleshoot underlying issues that created poorer reversibility and reproducibility. This study highlights the fact that even nominally straightforward electrochemical systems can yield vastly different outcomes due to small differences in experimental preparation and serves as a useful example for creating transparent and achievable standards for the generation of reliable datasets that can be widely used and shared.

Ketter, Benjamin [Argonne National Laboratory (ANL↗
NASA NTRS1972

Domestic applications for aerospace waste and water management technologies

Some of the aerospace developments in solid waste disposal and water purification, which are applicable to specific domestic problems are explored. Also provided is an overview of the management techniques used in defining the need, in utilizing the available tools, and in synthesizing a solution. Specifically, several water recovery processes will be compared for domestic applicability. Examples are filtration, distillation, catalytic oxidation, reverse osmosis, and electrodialysis. Solid disposal methods will be discussed, including chemical treatment, drying, incineration, and wet oxidation. The latest developments in reducing household water requirements and some concepts for reusing water will be outlined.

Disanto, F.↗
NASA NTRS1981

Middle atmosphere dynamics and composition

Aspects of the dynamics and composition of that region of the earth atmosphere lying above the tropopause but below 100 km are considered as they relate to processes at middle and high latitudes. The physics of the summer to winter reversal of the direction of the middle atmosphere jet is discussed, along with the effects of planetary waves on the mean zonal flow, which occasionally produce sudden stratosphere warming events. The chemistry of the two middle atmospheric trace constituents ozone and nitric oxide, which play dominant roles in atmospheric radiation balance and lower ionospheric structure, respectively, is then examined, and the importance of transport in determining their distribution is pointed out.

Geller, M. A.↗
NASA NTRS1990

Behavioral networks as a model for intelligent agents

On-going work at NASA Langley Research Center in the development and demonstration of a paradigm called behavioral networks as an architecture for intelligent agents is described. This work focuses on the need to identify a methodology for smoothly integrating the characteristics of low-level robotic behavior, including actuation and sensing, with intelligent activities such as planning, scheduling, and learning. This work assumes that all these needs can be met within a single methodology, and attempts to formalize this methodology in a connectionist architecture called behavioral networks. Behavioral networks are networks of task processes arranged in a task decomposition hierarchy. These processes are connected by both command/feedback data flow, and by the forward and reverse propagation of weights which measure the dynamic utility of actions and beliefs.

Sliwa, Nancy E.↗
NASA NTRS1994

Evidence for eddy formation in the eastern Arabian Sea during the northeast monsoon

The seasonal formation of a large (500-800 km diameter) anticyclonic eddy in the upper 300-400 m of the eastern Arabian Sea during the northest monsoon period (December-April) is indicated fom hydrographic and satellite altimetry sea level observations, as well as from numerical model experiments. The center of the eddy circulation is approximately 10 deg N, 70 deg E, just to the west of the north-south Laccadive Island chain. In this paper the eddy is called the Laccadive High (LH). In some ways it is like a mirrorlike counterpart to the Great Whirl that develops during the southwest monsoon of the Somali coast (western Arabian Sea). The LH occurs at the same latitude but on the opposite side of the basin during the reversed monsoon. It is different from the Great Whirl, however, in its formation process, its intensity, and its decay. The hydrographic data obtained from surveys all during a single season give sufficiently close station spacing to allow reasonable contouring of the geopotential surfaces and of the properties within and around the LH region with minimum time aliasing. The Geostat altimeter record extends over 4 years, during which the seasonal variability of the LH indicates a dynamic relief of approximately 15-20 cm, which is in good agreement with the hydrographics observations. The altimetry time series also suggests a westward translation of the LH by January with a subsequent dissipation in midbasin. The model used is a wind-forced three-layer primitive equation model which depicts a LH agreement with the timing, position, and amplitude of both the hydrographic and altimetric measurements. The numerical simulation includes a passive tracer located in the Western Bay of Bengal; the western advection of the tracer around the south coasts of Sri Lanka and India in December and January is consistent with the appearance of low-salinity water observed to extend into the Arabian Sea during this period. The modeling studies suggest that both local and remote forcing are important in formation of the LH.

Bruce, John G.↗
NASA NTRS1996

Mathematical Model Of Variable-Polarity Plasma Arc Welding

Mathematical model of variable-polarity plasma arc (VPPA) welding process developed for use in predicting characteristics of welds and thus serves as guide for selection of process parameters. Parameters include welding electric currents in, and durations of, straight and reverse polarities; rates of flow of plasma and shielding gases; and sizes and relative positions of welding electrode, welding orifice, and workpiece.

Hung, R. J.↗
NASA NTRS1999

Trade Study of Five In-Situ Propellant Production System for a Mars Sample Return Mission

One of the goals of NASA''s HEDS enterprise is to establish a long-term human presence on Mars at a fraction of the cost of employing today''s technology. The most direct method of reducing mission cost is to reduce the launch mass of the spacecraft. If the propellants for the return phase of the mission are produced on Mars, the total spacecraft mass could be reduced significantly. An interim goal is a Mars Sample Return (MSR) mission, which is proposed to demonstrate the feasibility of in-situ propellant production (ISPP). Five candidate ISPP systems for producing two fuels and oxygen from the Martian atmosphere are considered in this design trade-off study:(1) Zirconia cell with methanol synthesis, (2) Reverse water gas shift (RWGS) with water electrolysis and methanol synthesis, (3) Sabatier process for methane production with water electrolysis, (4) Sabatier process with water electrolysis and partial methane pyrolysis, and (5) Sabatier/RWGS combination with water electrolysis. These systems have been the subject of numerous previous analytical studies and laboratory demonstrations. In this investigation, the systems are objectively compared on the basis of thermochemical performance models using a commonly used chemical plant analysis software package. The realistic effects of incomplete chemical conversion and gas phase separator performance are included in these models. This study focuses on the chemical processing and product separation subsystems. The CO2 compression upstream of the chemical plane and the liquefaction/storage components are not included here.

Green, S. T.↗
NASA NTRS2013

Orion Scripted Interface Generator (OrionSIG)

The Orion spacecraft undergoing development at NASA and Lockheed Martin aims to launch the first humans to set foot on asteroids and Mars.' Sensors onboard Orion must transmit back to Earth astronomical amounts of data recording almost everything in 50,231 lb. (22,784 kg)2 of spacecraft, down to the temperatures, voltages, or torsions of even the most minor components. This report introduces the new Orion Scripted Interface Generator (OrionSIG) software created by summer 2013 NASA interns Robert Dooling and Samuel Harris. OrionSIG receives a list of Orion variables and produces a script to graph these measurements regardless of their size or type. The program also accepts many other input options to manipulate displays, such as limits on the graph's range or commands to graph different values in a reverse sawtooth wave. OrionSIG paves the way for monitoring stations on Earth to process, display, and test Orion data much more efficiently, a helpful asset in preparation for Orion's first test mission in 2014. Figure I.

Dooling, Robert J.↗
DOE OSTI2021

Vector elastic deconvolution migration with dual wavefield decomposition

Here, we report elastic-wave imaging using multicomponent data can provide more useful subsurface information than acoustic-wave imaging, but it is usually algorithmically challenging. We have developed a vector elastic deconvolution migration method for high-resolution imaging of subsurface structures in isotropic and anisotropic elastic media. Our new method uses a vector deconvolution imaging condition based on dual wavefield decomposition, including an explicit directional wavefield separation using the Hilbert transform and a P/S vector wavefield decomposition using the low-rank decomposition method. Using three elastic models, we numerically determine that our new method produces notably higher resolution and more amplitude-balanced elastic images compared with a crosscorrelation-based vector elastic reverse time migration method.

58 GEOSCIENCES↗
DOE OSTI2022

Mechanistic Interpretations and Insights for the Oxidative Dehydrogenation of Propane via CO 2 over Cr 2 O 3 /Al 2 O 3 Catalysts

Oxidative dehydrogenation (ODH) of alkanes using carbon dioxide as a soft oxidant has recently emerged as a potentially attractive alternative to steam cracking for the production of light olefins. To elucidate reaction pathways and their dependence on the operating conditions, CO 2 -assisted propane dehydrogenation over a redox-active Cr 2 O 3 /Al 2 O 3 catalyst was examined in a packed bed reactor as a function of temperature, Cr 2 O 3 /CO 2 feed ratio, and residence time. Previous ODH studies have largely focused on CO 2 -rich conditions with the aim of preventing coke formation. However, at T = 600 °C the present study finds that the use of propane-rich conditions (1 ≤ C 3 H 8 /CO 2 ≤ 2.5) maximizes propylene production and selectivity while maintaining catalyst stability. In this work, it is postulated that the selective Mars van Krevelen dehydrogenation process is optimized at these ratios. Excess CO 2 apparently promotes nonselective dehydrogenation and dry reforming pathways that generate additional CO, adversely impacting catalyst stability via the Bouduard reaction. This hypothesis is supported by complementary investigations of the reverse water gas shift reaction and thermodynamic analysis. The findings and methodology presented here are likely applicable to related ODH processes with other alkanes and redox-active catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Photonic Curing of Nickel Oxide Transport Layer and Perovskite Active Layer for Flexible Perovskite Solar Cells: A Path Towards High-Throughput Manufacturing

High-throughput roll-to-roll (R2R) manufacturing of perovskite solar cells (PSCs) is currently limited by thermal processes that take tens of minutes each, translating to impractically long annealing tools at high web speeds. In addition, PSCs are usually made with metal oxide transport layer materials that require high temperatures for thermal annealing. Here, we demonstrate the fabrication of PSCs using photonic curing, instead of thermal annealing, to convert NiO x directly from sol-gel precursors for hole transport layers and to crystallize methylammonium lead iodide (MAPbI 3 ) active layers on flexible Willow ® Glass substrates. Photonic curing uses short, intense pulses of light to process materials at a high speed, hence it is compatible with R2R manufacturing. We achieved power conversion efficiencies (PCEs) of 11.7% in forward-scan and 10.9% in reverse-scan for PSCs made with photonic cured NiO x and MAPbI 3 films. Furthermore, both NiO x and MAPbI 3 films could be processed with a single photonic curing pulse, with a web speed of 5.7 m/min, and still produce PCEs comparable to thermally annealed control samples. Based on the single-pulse photonic curing condition for each film, we project a web speed of 26 m/min, laying a pathway to high-throughput production of perovskite solar modules.

14 SOLAR ENERGY↗
DOE OSTI2026

Kinetics Modeling and Reactor Design Study of Glucose-to-Terpenes Cell-Free Conversion

Cell-free systems offer many advantages over traditional biological conversion by eliminating biological growth constraints. It also offers easy manipulation and finetuning of the reaction conditions for each individual enzyme. The conversion of cellulosic glucose to Limonene, a terpene, is a promising pathway for producing fuels and chemicals. Recent advances in developing cell-free systems focuses on bench scale optimization of terpene yield and to demonstrate its feasibility towards commercialization [1,2]. There is significant knowledge gap regarding reaction kinetics of these cell-free systems to further study how it will perform at larger scale. We present here, our studies on reaction kinetics and reactor design implications of cell-free glucose to Limonene conversion to facilitate the further development and commercialization of this process. We developed a novel kinetic model based on the metabolic-network structure of the cell-free system with multi-substrate reversible Michaelis-Menten rate law. To estimate kinetic parameters for this system of rate equations, we employed Bayesian optimization to perform global search with the assistance of gaussian processes to balance exploration and exploitation. The model parameters estimated showed good results compared with experimental data. The estimated parameters were used to perform sensitivity analysis. We found that Hexokinase is one of the most critical enzymes that affect the conversion of the glucose. We also observed that abundance of co-factors is also critical to the conversion of glucose to limonene. We investigated packed bed reactors with enzymes immobilized on the surface of particles to convert glucose stream into Limonene for larger scale production. The reactor design such as particle size, enzyme loading, and flow rate are found to be critical for improving yields. [1] Dudley, Q.M., Nash, C.J. and Jewett, M.C., 2019. Synthetic Biology, 4(1), p.ysz003. [2] Korman, T.P., Opgenorth, P.H. and Bowie, J.U., 2017. Nature communications, 8(1), p.15526.

09 BIOMASS FUELS↗
DOE OSTI2025

Crossflow membrane filtration system for operando fouling characterization using transmission x-ray scattering

Membrane-based separations are widely used for wastewater treatment due to their low cost and efficiency. However, membrane fouling, which is the unwanted deposition or attachment of contaminants on membrane surfaces and/or within membrane pores, remains a major challenge as it increases the mass transfer resistance and reduces membrane productivity. Membrane fouling is typically probed by macroscopic performance metrics, such as flux decline, and ex situ characterization. However, this does not capture the membrane and fouling layer evolution under operating conditions, potentially masking important mechanisms and nonequilibrium pathways that impact fouling. Here, we present a remotely controlled crossflow membrane system and a custom membrane cell for operando fouling characterization using transmission small/wide angle x-ray scattering (SAXS/WAXS). This approach allows direct observation of the nanoscale changes occurring at the membrane surface during pressurized water treatment processes, enabling a new way to understand the connections between dynamic fouling behaviors and membrane performance. Nanoparticle fouling of porous membranes during ultrafiltration was investigated using operando SAXS, and mineral scaling of reverse osmosis membranes was investigated using operando WAXS. Furthermore, this system allows for tracking membrane fouling in real time and under realistic conditions, providing fundamental physical insights into how water chemistry and operating conditions affect macroscopic membrane performance. Moreover, this system opens the door for future in situ and operando studies, and it serves as a testbed for evaluating novel materials/processes for membrane-based separations.

36 MATERIALS SCIENCE↗
NASA NTRS1980

Forward- and reverse-bias tunneling effects in n/+/p silicon solar cells

Excess currents due to field-assisted tunneling in both forward and reverse bias directions have been observed in n(+)-p silicon solar cells. These currents arise from the effect of conducting paths produced in the depletion layer by n(+) diffusion and cell processing. Forward-bias data indicate a small potential barrier with height of 0.04 eV at the n(+) end of conducting paths. Under reverse bias, excess tunneling currents involve a potential barrier at the p end of the conducting paths, the longer paths being associated with smaller barrier heights and dominating at the lower temperatures. Low-reverse-bias data give energy levels of 0.11 eV for lower temperatures (253-293 K) and 0.35 eV for higher temperatures (293-380 K). A model is suggested to explain the results.

Garlick, G. F. J.↗
NASA NTRS1964

New sintering process adjusts magnetic value of ferrite cores

A two-phase sintering technique based on time and temperature permits reversible control of the coercive threshold of sintered ferrite cores. Threshold coercivity may be controlled over a substantial range of values by selective control of the cooling rate.

Vinal, A. W.↗