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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 1,693 records · Page 94
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Source apportionment of soot particles and aqueous-phase processing of black carbon coatings in an urban environment

Abstract. The impacts of soot particles on climate and human health depend on the concentration of black carbon (BC) as well as the thickness and composition of the coating material, i.e., organic and inorganic compounds internally mixed with BC. In this study, the size-resolved chemical composition of BC-containing aerosol was measured using a high-resolution soot particle aerosol mass spectrometer (SP-AMS) during wintertime in Fresno, California, a location influenced by abundant combustion emissions and frequent fog events. Concurrently, particle optical properties were measured to investigate the BC absorption enhancement. Positive matrix factorization (PMF) analysis was performed on the SP-AMS mass spectral measurements to explore the sources of soot particles and the atmospheric processes affecting the properties of BC coatings. The analysis revealed that residential woodburning and traffic are the dominant sources of soot particles. Alongside primary soot particles originating from biomass burning (BBOABC) and vehicles (HOABC) two distinct types of processed BC-containing aerosol were identified: fog-related oxidized organic aerosol (FOOABC) and winter-background OOABC (WOOABC). Both types of OOABC showed evidence of having undergone aqueous processing, albeit with differences. The concentration of FOOABC was substantially elevated during fog events, indicating the formation of aqueous secondary organic aerosol (aqSOA) within fog droplets. On the other hand, WOOABC was present at a relatively consistent concentration throughout the winter and was likely related to the formation of secondary organic aerosol (SOA) in both the gas phase and aerosol liquid water. By comparing the chemical properties and temporal variations in FOOABC and WOOABC, we gain insights into the key aging processes of BC aerosol. It was found that aqueous-phase reactions facilitated by fog droplets had a significant impact on the thickness and chemical composition of BC coatings, thereby affecting the light absorption and hygroscopic properties of soot particles. These findings underscore the important role of chemical reactions occurring within clouds and fogs and influencing the climate forcing of BC aerosol in the atmosphere.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Electromagnetic Energy-Assisted Thermal Conversion of Fossil-Based Hydrocarbons to Low-Cost Hydrogen

The goal of this project was to develop and optimize catalysts for methane decomposition, particularly focusing on regeneration via an electromagnetic energy-assisted mechanism, to produce hydrogen more cost-effectively compared to electrolysis routes. To achieve this goal, the project pursued several key objectives. The project began with the preparation and testing of various catalysts. A nickel-silica based catalyst was identified as the most promising material for the pyrolysis of methane into carbon and hydrogen. Kinetic parameters for methane decomposition were determined, aiding in computational modeling efforts. Structured catalysts were investigated, highlighting the need for frequent cleaning or regeneration to maintain performance, with methane conversion rates exceeding 70% in tube furnace tests. Computational fluid dynamics modeling was employed to optimize reactor designs and electrode angles, leading the project team to propose a multi-compartment thermal conversion system for larger setups. This modeling work was important in understanding reaction characteristics, carbon deposition rates, and temperature profiles under various conditions. A bench-scale reactor system was assembled to evaluate catalyst regeneration using electromagnetic energy-assisted mechanisms. Experiments demonstrated the potential for carbon removal, though further optimization is needed. The carbon produced from the methane conversion process was evaluated for potential use in lithium-ion battery electrodes. The carbon exhibited properties similar to commercially available high-purity multi-walled carbon nanotubes and nanofibers, with a carbon content greater than 95%. Coin cell batteries assembled with this carbon showed that lower replacement levels (10% to 33%) outperformed the control group, improving specific capacity density and stability. However, higher replacement levels (100%) demonstrated poorer performance, suggesting that excessive carbon substitution negatively impacts battery performance. These findings indicate the potential marketability of the produced carbon as a component in lithium-ion batteries, though further testing is necessary to confirm long-term advantages and disadvantages associated with the use of the carbon product. These results however justified further technoeconomic assessments to determine if the process can provide low-cost hydrogen. The economic feasibility and technical performance of methane decomposition for hydrogen production were assessed, focusing on three plant configurations: 100E (electrically heated), 100C (combustion heated using produced hydrogen), and PE-Hybrid (a combination of pyrolysis (indicating decomposition) and electrolysis). The Levelized Cost of Hydrogen (LCOH) for the pyrolysis configurations was found to be approximately 25% lower than that of electrolysis. The 100E configuration had the lowest LCOH at $\$$3.12/kg. Including carbon product sales significantly improved the economics, with the 100C configuration achieving a negative LCOH of -$\$$0.35/kg. The PE-Hybrid configuration was not economically advantageous compared to pure pyrolysis plants due to its complexity and additional equipment requirements. Ultimately, methane pyrolysis presents a viable method for near carbon dioxide-free hydrogen production, with significant economic advantages over electrolysis, especially when considering the sale of carbon byproducts. The 100E and 100C configurations showed the most promise, with the choice between them ultimately depending on the prices of power and natural gas. In conclusion, this technology has the potential to lower hydrogen production costs by leveraging the methane decomposition process with the sale of valuable carbon byproducts. By optimizing catalyst performance and integrating electromagnetic energy-assisted regeneration, the process can achieve higher efficiency and economic viability, making it a competitive alternative to traditional hydrogen production methods.

08 HYDROGEN↗
DOE OSTI2024

The Pele Simulation Suite for Reacting Flows at Exascale

In this work, we present the Pele suite of software tools for compressible and incompressible reacting flows. The Pele suite leverages several different libraries, notably AMReX and SUNDIALS, to achieve performance portability on heterogeneous computing architectures across the supercomputing landscape. The Pele suite is comprised of PeleC, a compressible reacting flow block-structured adaptive mesh refinement solver, PeleLMeX, a low-Mach number reacting flow block-structured adaptive mesh refinement solver, Pele-Physics, a library for transport, thermodynamics, finite rate chemistry, soot, spray and radiation physics. The objective of this paper is (i) to present the code development efforts necessary to achieve highly effective and scalable applications for exascale machines and (ii) to detail the performance results of the Combustion-Pele project applications on Oak Ridge National Laboratory's Frontier. We show good weak and strong scaling results for both PeleC and PeleLMeX up to more than 50 billion cells on more than 4096 Frontier graphics processing unit nodes. We also present a capability demonstration simulation of a dual-fuel pulse compression ignition engine (six adaptive mesh refinement levels, and 60 billion cells or 2.1 trillion degrees of freedom) on Frontier, to date one of the largest simulations performed on the first exascale-class supercomputer.

adaptive mesh refinement↗
DOE OSTI2020

Major element composition controls rare earth element solubility during leaching of coal fly ash and coal by-products

Coal combustion ash and pre-combustion coal refuse are currently under consideration as potential sources of rare earth elements. One of the early steps in recovering REEs from coal by-products is often acid leaching, which can result in low pH leachates with complex aqueous chemistry. The aim of this work was to understand the connection between REE solubility, pH, and major elemental components of leachates for coal by-products. To accomplish this, we investigated the effects of solids concentration (i.e., pulp density) and pH adjustment on REE solubility in acid leachates of coal fly ashes from the Powder River Basin (PRB) and Appalachian Basin in the United States, and a coal processing refuse from the Southwestern U.S. For PRB ashes, the concentrations of soluble REEs generally increased with increasing pulp density; however, at pulp density values above 80–100 g/L, the soluble REE concentrations in the leachates were markedly lower. Similarly, the soluble concentrations of other major solutes (Fe, Al, Si) that leached from PRB fly ashes were also non-linear with pulp density. These major elements tended to reach maximum concentration values at 60–70 g/L pulp density. In contrast, for the Appalachian fly ashes and the coal by-product, soluble concentrations of REE and major elements in leachates increased linearly with pulp density. Chemical equilibria calculations of mineral saturation indices indicated that trends in soluble REE concentrations could be explained by saturation conditions for Fe and Al-(hydr)oxides and possibly sulfate minerals, but not lanthanide hydroxides. Furthermore, pH adjustment of the acid leachates showed that REEs and many major solutes were removed from solution at pH values above 4.5, also consistent with Fe- and Al-(hydr)oxide precipitation. These results highlight the importance of understanding the chemical composition of leachates when designing REE recovery processes for low-grade geologic feedstocks and that precipitation of hydr(oxide) or sulfate minerals of major elements rather than discreet formation of REE mineral phases could be used for process optimization.

01 COAL, LIGNITE, AND PEAT↗
NASA NTRS2019

Progress in Additively Manufactured Copper-Alloy GRCop-84, GRCop-42, and Bimetallic Combustion Chambers for Liquid Rocket Engines

Additive Manufacturing (AM) has significantly evolved over the last decade for use in the aerospace industry, particularly for liquid rocket engines. AM offers a considerable departure from traditional manufacturing to rapidly fabricate components with complex internal features. High performance liquid rocket engine combustion chambers that operate in a high heat flux environment are fabricated using a copper-alloy liner with a series of integral coolant channels. Copper-alloys provide the necessary conductivity and material strength for adequate design margins offering high performance without the need for film coolant. Copper-alloys present unique challenges to properly melt the powder in laser-based AM processes due to their high reflectivity and conductivity. Starting in 2014, NASA’s Marshall Space Flight Center (MSFC) and Glenn Research Center (GRC) have developed a process for AM of GRCop (Copper- Chrome-Niobium) alloys using Selective Laser Melting (SLM). GRCop, originally developed at GRC, is a high conductivity, high-strength, dispersion strengthened copper-alloy for use in high-temperature, high heat flux applications. NASA has completed significant material characterization and testing, along with hot-fire testing, to demonstrate that GRCop-42 and GRCop-84 alloys are suitable for use in combustion chambers. Additional development and testing has been completed on AM bimetallic chambers using GRCop-84 liners and superalloy jackets, fabricated using two Directed Energy Deposition (DED) processes: Electron Beam Freeform Fabrication (EBF³) and Blown Powder DED. NASA completed hot-fire testing on various AM chambers using GRCop-84, GRCop-42, and bimetallic chambers in Liquid Oxygen (LOX)/Hydrogen, LOX/Methane, and LOX/Kerosene propellants.

Gradl, Paul R.↗
NASA NTRS1995

Creep Testing of High-Temperature Cu-8 Cr-4 Nb Alloy Completed

A Cu-8 at.% Cr-4 at.% Nb (Cu-8 Cr-4 Nb) alloy is under development for high-temperature, high heatflux applications, such as actively cooled, hypersonic vehicle heat exchangers and rocket engine combustion chambers. Cu-8 Cr-4 Nb offers a superior combination of strength and conductivity. It has also shown exceptional low-cycle fatigue properties. Following preliminary testing to determine the best processing route, a more detailed testing program was initiated to determine the creep lives and creep rates of Cu-8 Cr-4 Nb alloy specimens produced by extrusion. Testing was conducted at the NASA Lewis Research Center with constant-load vacuum creep units. Considering expected operating temperatures and mission lives, we developed a test matrix to accurately determine the creep properties of Cu-8 Cr-4 Nb between 500 and 800 C. Six bars of Cu-8 Cr-4 Nb were extruded. From these bars, 54 creep samples were machined and tested. The figure on the left shows the steady-state, or second-stage, creep rates for the samples. Comparison data for NARloy-Z (Cu-3 wt % Ag-0.5 wt % Zr), the alloy currently used in combustion chamber liners, were not unavailable. Therefore the steady-state creep rates for Cu at similar temperatures are presented. As expected, in comparison to pure Cu, the creep rates for Cu-8 Cr-4 Nb are much lower. The lives of the samples are presented in the figure on the right. As shown, Cu-8 Cr-4 Nb at 800 C is comparable to NARloy-Z at 648 C. At equivalent temperatures, Cu-8 Cr-4 Nb enjoys a 20 to 50 percent advantage in stress for a given life and 1 to 3 orders of magnitude greater life at a given stress. The improved properties allow for design tradeoffs and improvements in new and existing heat exchangers such as the next generation of combustion chamber liners. Average creep rates for Cu-8 Cr-4 Nb and pure Cu are shown. Average creep lives for Cu-8 Cr- 4 Nb and NARloy-Z are also shown. Currently, two companies are interested in the commercial usage of the Cu-8 Cr-4 Nb alloy. The Rocketdyne Division of Rockwell International is conducting independent testing to analyze the properties for their projected needs in advanced rocket engine applications. Metallamics, a company based in Traverse City, Michigan, is entering into a Space Act Agreement to evaluate and test Cu-Cr-Nb alloys as materials for welding electrodes that are used in robotic welding operations. Creep rate is one of the alloy properties that determines the degree to which a welding electrode will mushroom or expand at the tip. A material with a low creep rate will resist mushrooming and give the electrode a longer life, minimizing downtime. This application holds the potential for large-scale usage of the alloy in the automotive and other industries. Success here would dramatically decrease the cost of the alloy and increase availability for aerospace applications.

Source record↗
NASA NTRS1991

A continuous mixing model for pdf simulations and its applications to combusting shear flows

The problem of time discontinuity (or jump condition) in the coalescence/dispersion (C/D) mixing model is addressed in this work. A C/D mixing model continuous in time is introduced. With the continuous mixing model, the process of chemical reaction can be fully coupled with mixing. In the case of homogeneous turbulence decay, the new model predicts a pdf very close to a Gaussian distribution, with finite higher moments also close to that of a Gaussian distribution. Results from the continuous mixing model are compared with both experimental data and numerical results from conventional C/D models.

Hsu, A. T.↗
DOE OSTI2022

The Evolution of LiNi 0.5 Mn 0.3 Co 0.2 O 2 Particle Damage from Fast Charging in Optimized, Full Li-Ion Cells

Fast charging batteries are critical to the widespread adoption of electric vehicles to compete with refueling times of combustion-based vehicles. In the near term, adapting current commercial battery technologies to perform better under fast charging conditions through engineering optimizations will greatly expedite the process while exploratory fast-charging electrode materials are being pursued. To do so, the degradation modes in optimized Li-ion batteries need to be completely explored to understand fast charging limits while maintaining a high energy density and a long cycle life. While lithium plating on graphite still remains a challenge, cathode degradation also plays a key role in battery performance. In this work, we used nano- and micro-X-ray computed tomography to characterize the mechanical degradation of LiNi 0.5 Mn 0.3 Co 0.2 O 2 (NMC532) in optimized Li-ion batteries cycled at three rates, 1C, 6C, and 9C, and at different stages of cycle life, 225 and 600 cycles. We report despite using a conservative upper voltage cutoff limit aimed to minimize extensive cathode degradation, higher charging rates and increased cycling caused the polycrystalline NMC532 particles to fracture and pulverize, which likely drives cathode capacity fade and contributes to the decrease in overall cell performance.

25 ENERGY STORAGE↗
DOE OSTI2020

Laser-Plasma Spectroscopy of Hydroxyl with Applications

This article discusses laser-induced laboratory-air plasma measurements and analysis of hydroxyl (OH) ultraviolet spectra. The computations of the OH spectra utilize line strength data that were developed previously and that are now communicated for the first time. The line strengths have been utilized extensively in interpretation of recorded molecular emission spectra and have been well-tested in laser-induced fluorescence applications for the purpose of temperature inferences from recorded data. Moreover, new experiments with Q-switched laser pulses illustrate occurrence of molecular recombination spectra for time delays of the order of several dozen of microseconds after plasma initiation. The OH signals occur due to the natural humidity in laboratory air. Centrifugal stretching of the Franck-Condon factors and r-centroids are included in the process of determining the line strengths that are communicated as a Supplementary File. Laser spectroscopy applications of detailed OH computations include laser-induced plasma and combustion analyses, to name but two applications. This work also includes literature references that address various diagnosis applications.

47 OTHER INSTRUMENTATION↗
NASA NTRS1977

The influence of droplet evaporation on fuel-air mixing rate in a burner

Experiments involving combustion of a variety of hydrocarbon fuels in a simple atmospheric pressure burner were used to evaluate the role of droplet evaporation in the fuel/air mixing process in liquid fuel spray flames. Both air-assist atomization and pressure atomization processes were studied; fuel/air mixing rates were determined on the basis of cross-section average oxygen concentrations for stoichiometric overall operation. In general, it is concluded that droplets act as point sources of fuel vapor until evaporation, when the fuel jet length scale may become important in determining nonuniformities of the fuel vapor concentration. In addition, air-assist atomizers are found to have short droplet evaporation times with respect to the duration of the fuel/air mixing process, while for the pressure jet atomizer the characteristic evaporation and mixing times are similar.

Komiyama, K.↗
NASA NTRS1981

Modeling hydrogen-cyanide absorption in fires

A mathematical model is developed for predicting blood concentrations of cyanide as functions of exposure time to constant levels of cyanide in the atmosphere. A toxic gas (which may form as a result of decomposition of combustion materials used in transportation vehicles) is breathed into the alveolar space and transferred from the alveolar space to the blood by a first-order process, dependent on the concentration of the toxicant in the alveolar space. The model predicts that blood cyanide levels are more sensitive to the breathing cycle than to blood circulation. A model estimate of the relative effects of CO and HCN atmospheres, generated in an experimental chamber with an epoxy polymer, shows that toxic effects of cyanide occur long before those of carbon monoxide.

Cagliostro, D. E.↗
NASA NTRS1982

A coalescence/dispersion model for turbulent flame stability

A stochastic mixing model is employed that couples finite rate mixing with finite rate combustion chemistry to examine the effects of combustor inlet conditions on the ignition limits of lean premixed turbulent flames. The kinetics of the fuel-oxidation process is described by means of a two-step reaction mechanism. The model predictions of the lean ignition limits of premixed turbulent propane-air flames are verified through comparisons with data in the literature. The variations of the lean limits are found to compare favorably with experimental magnitudes and trends.

Radhakrishnan, K.↗
NASA NTRS1988

Turbulence effects during evaporation of drops in clusters

The present modeling of droplet cluster evaporation, which encompasses the exchange processes between the cluster and the gas phase that surrounds it and is intended for application as a subscale model in calculations of spray evaporation and combustion, gives attention to two alternative turbulence models: (1) cluster evaporation in an evironment initially without turbulence, which then experiences a gradual buildup of turbulence, and (2) evaporation in an environment in which turbulence is initially present. Results obtained indicate that turbulence enhances evaporation, and is a controlling factor in the evaporation of very dense clusters; it is shown that evaporation time decreases with an initial increase in either turbulence level or relative velocity. Practical implications of these results are discussed.

Bellan, J.↗
NASA NTRS1991

Mass-loading and parallel magnetized shocks

Recent observations at comets Giacobini-Zinner and Halley suggest that simple nonreacting gas dynamics or MHD is an inappropriate description for the bow shock. The thickness of the observed (sub)shock implies that mass-loading is an important dynamical process within the shock itself, thereby requiring that the Rankine-Hugoniot conditions possess source terms. This leads to shocks with properties similar to those of combustion shocks. The paper considers parallel magnetized shocks subjected to mass-loading, describes some properties which distinguish them from classical MHD parallel shocks, and establishes the existence of a new kind of MHD compound shock. These results will be of importance both to observations and numerical simulations of the comet-solar wind interaction.

Zank, G. P.↗
NASA NTRS1991

Laser anemometry - Advances and applications 1991; Proceedings of the 4th International Conference, Cleveland, OH, Aug. 5-9, 1991. Vols. 1 & 2

The papers presented in this volume provide an overview of the latest advances in laser anemometry and optical flow diagnostics. Topics discussed include turbulence, jets, and chaos; novel optical techniques for velocity measurements; chemical reactions and combusting flows; and LDA/CFD interface. Attention is also given to particle image velocimetry, high speed flows and aerodynamic flows, internal flows, particle sizing, optics and signal processing, two-phase flows, and general fluid mechanics applications.

Dybbs, Alexander↗
NASA NTRS1993

A carbon and nitrogen isotope study of carbonaceous vein material in ureilite meteorites

The ureilite meteorite group is known to be rich in carbon in the form of graphite/diamond veins that are associated with planetary type noble gases. This paper reports preliminary data from a systematic study of the carbon and nitrogen isotopic composition of this carbonaceous vein material. A previous study focused on the whole rock signatures and reported that the carbon inventory appeared to be dominated by the graphitic/diamond intergrowths, whereas the nitrogen was clearly composed of several distinct components including one that was isotopically light, possibly associated with the carbonaceous material. Recent studies have demonstrated that diamonds in the solar system formed in many different environments. C and N measurements from ureilitic diamond made in a similar way would be a useful addition to this overall study. The methods used for isolating diamonds of possible presolar origin from primitive meteorites are equally applicable to the processing of carbon bearing components in the ureilite group so that their stable isotopic composition can be determined. Herein we discuss conjoint C and N stepped combustion measurements made on crushed whole rock ureilite samples that have been treated with 1M HCl/9M HF to dissolve silicate and free metal. In addition, two samples have been further treated with oxidizing acids to leave a diamond rich residue.

Russell, S. S.↗
NASA NTRS1999

Diffusive and Radiative Transport in Fires (DARTFire): Opposed-Flow Flame Spread in Low-Velocity Flows

For flames spreading into a low-velocity flow that can only be obtained in microgravity, we have observed behavior that is different from that which is obtained at higher velocities where radiative effects are unimportant and species transport is relatively fast. Unfortunately, lack of a large body of low-gravity flame spread experimental data inhibits progress in developing an understanding of the physics of low-velocity, opposed-flow flame spread phenomena. Recent DARTFire sounding rocket experimental studies though, coupled with developing theory and modelling, have allowed some strides in understanding to be made, on which we report here. Four launches to date have resulted in six experiments for opposed-flow flame spread over a thick PMMA sample. During the 6 min microgravity period, the PMMA samples were ignited, and steady flame spread was studied under varied flow velocity, oxidizer atmospheric conditions, and, because radiative heat transfer is so important in these slowly spreading flames, external radiant flux. These were the first attempts at such experimental control and measurement in microgravity. A recent reflight of the Solid Surface Combustion Experiment (SSCE) has demonstrated, as modelling predicts, that for the thick fuel of the DARTFire experiment, flame spread in a quiescent environment is a transient process evolving from ignition to extinction on the order of 600 s (Altenkirch et al., 1999). Further study then of the effects of radiation in the very low-velocity opposing flows is of interest in understanding the transition from steady, sustained spread to the unsteady evolution to extinction as the opposing flow is reduced further and eventually removed.

Altenkirch, R. A.↗