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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Computationally Guided and Experimentally Validated Design of Custom Chelators for Critical Mineral Recovery

Selective, high throughput separation of target critical metals from complex environments such as fly ash leachates and mining process streams presents a significant challenge for economical production. Custom chelators and sorbents are an attractive technology for selective metal extraction, however it can be difficult to predict their performance, and significant experimental efforts are often required to develop chelating technologies. Here, we present a computational strategy focused on modelling chelator-metal binding interactions and benchmark these results versus experimental data. A computational pipeline combining forcefield, semiempirical, and meta-GGA methods with a thermodynamic framework optimized for error cancellation has been developed to predict binding energies of chelator complexes towards critical mineral recovery applications. This approach, originally validated on [2.2.2] cryptates binding mono- and divalent cations, demonstrated robust predictive capabilities with an R2 of 0.850 against experimental aqueous binding energies. The workflow includes metadynamics for exploring high-dimensional potential energy surfaces and a cluster-continuum model for accurate yet computationally efficient solvation modeling. Error cancellation between solvation energies of free and chelator-coordinated ions enables faster convergence, even with finite cluster sizes. Initial studies on the cryptates revealed consistent metal-ligand coordination patterns, with systematic variations influenced by ion size and charge, highlighting key structural features linked to binding selectivity. Further studies of a proprietary chelator have resulted in identification of previously unreported selectivity towards economically significant metals, which in-house experiments have confirmed, demonstrating the feasibility of this approach. By applying this methodology to new chelators targeting critical minerals such as lithium, cobalt, nickel and other strategic metals, we aim to accelerate the discovery of next-generation chelators for efficient recovery, recycling, and separation processes. This computational framework serves as the backbone of a high-throughput design pipeline tailored for sustainable resource utilization and may be applied to a wide range of systems to meet experimental needs.

computational materials↗
DOE OSTI2024

Development of Leaching Processes for the Recovery of Rare Earth Elements from Acid Mine Drainage Precipitates

Acid mine drainage (AMD) has been a challenge for mine operators to address and has had significant environmental impacts when there is a failure to address it. Fortunately, there is a regulation in the US that requires the treatment of AMD before water can be discharged into the environment. AMD is generated when sulfide minerals are exposed to water and air from mining. The acidic water then leaches metals from the surrounding rock, creating the potential for environmental contamination of this acidic water containing dissolved metals. AMD can contain high concentrations of metals like iron, aluminum, and manganese and also have been shown to contain trace concentrations of critical minerals, including rare earth elements (REEs). This environmental waste stream is now being researched as a potential source for REEs. There is a patented process for processing and extracting REEs from AMD which produces rare earth oxide preconcentrate (REOP) from AMD treatment precipitates and a final stage mixed rare earth oxide (MREO) product. This body of research examines a selective leaching process for each of these products and determines the activation energy associated with the leaching processes. Acid leaching with HCl was examined to selectively leach REEs from REOP while contaminant metals remained in the solid residue. The maximum leaching recovery of the REEs from the REOP was approximately 90% and an activation energy of 6.4 kJ/mol at pH 3.0. Ammonium chloride leaching was examined to selectively remove contaminant metals from a MREO product. The ammonium chloride process successfully leached major contaminant metals in excess of 85% recovery and had a maximum activation energy of 40.0 kJ/mol.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2026

Development of a Techno-Economic Analysis Framework for a Solar Thermochemical Fuel Production Process

Synthetic liquid fuels can provide a drop-in substitute for fossil-based fuels in sectors such as aviation and maritime, where electrification is not a viable option due to the need for high specific energy density. However, for these alternative fuels to be adopted at a commercial scale, their price must be competitive compared to their fossil-based counterparts. The reverse water-gas shift (RWGS) reaction offers a promising pathway, using hydrogen (sourced from electrolysis) and carbon dioxide as the feed and reacting to produce syngas - a mixture of H2 and CO at a specific ratio. Syngas is a useful precursor that can be converted into fuels and chemicals via known downstream processes, such as liquid transportation fuels via Fischer-Tropsch (FT) synthesis. The RWGS reaction is currently not applied in commercial scale, unlike the rest of the components in the process chain (electrolyzers and syngas-to-fuel synthesis units). The RWGS reaction poses several challenges due to its restrictive thermodynamics. Being an equimolar reaction, high temperatures and a large excess of H2 are needed to achieve reasonable CO2 conversion at equilibrium. This has detrimental effects on practical process implementation and the quality of syngas that can be produced, with direct effect on the energy and capital requirements, as well as the need for expensive downstream separation. In this work, we are proposing to develop a new concentrating solar thermal (CST) compatible RWGS reactor, performing the reaction in a 2-step chemical looping process using metal oxide at a temperature range of 600-800 degrees Celsius. By decoupling the reactor from the solar receiver, the Generation 3 (Gen3) CST technology could be utilized, together with its proposed thermal energy storage (TES) technology, benefitting from a good match to the required temperatures. CST technology is a viable option for supplying the heat that could be rapidly deployed in scale, thus being a good match to the gas-to-liquid (GTL) process which requires a large minimal scale to be commercially viable. The integration of TES with CST also allows operating the plant at large annual capacity factors and avoids multiple shutdown/startup cycles, thus fitting into the steady-state operation mode that most GTL processes require. The main innovation in the proposed design hinges on a countercurrent reaction design using a packed bed reactor. In 2019 Metcalfe et al. showed the benefits of countercurrent species exchange could be realized in a redox chemical-looping processes, by storing the favorable countercurrent chemical potential profiles in a packed bed of non-stoichiometric oxide. Metcalfe et al. applied this breakthrough concept to the WGS reaction, which is conventionally a co-feed catalytic process, showing a dramatic improvement. Bulfin et al. (2023) performed a similar proof-of-concept demonstration for the RWGS reaction using CeO2, achieving cumulative and peak CO2 conversions of 88% and 95%, respectively, compared to a thermodynamic limit of 58% for the co-feed catalytic process at the same conditions. In our new REGENLOOP project, we are developing a reactor prototype from the heat-exchange packed bed reactor-type, a commonly used reactor in the chemical industry. The endothermic heat of reduction will be supplied to the reactor using CST, while the same heat transfer fluid (HTF) mechanism will be used to extract the exothermic heat of oxidation. An array of multiple reactors is used to supply constant high-purity CO stream, that is then mixed with H2 from electrolysis to produce a high-purity syngas at the required composition. By removing the CO-CO2 separation after the RWGS process, significant energy and cost reduction can be achieved. A physics-based TEA framework is currently being developed, covering all the major plant processes, from the solar collection through storage, chemical looping RWGS, GTL, and auxiliary unit operations, up to the liquid hydrocarbon product. This modeling framework will utilize reduced-order models for the chemical looping RWGS and TES, CST modeling using SolarPILOT, and Aspen Plus for the GTL. By using this combined physics-based approach, the effects of design/operating parameters on the performance and cost can be elucidated. In our presentation, the modeling framework will be presented in detail, including preliminary cost predictions of using this plant configuration under a few selected relevant case studies. This study will be used to identify the major cost drivers, informing further system design and optimization needed to chart the way for a commercially viable pathway.

14 SOLAR ENERGY↗
DOE OSTI2026

BOTTLE: Hybrid Chemical-Mechanical Separation and Upcycling of Mixed Plastic Waste

The main objective of this project is to develop a hybrid mechanical-chemical recycling technology for multilayered and laminated plastics. We aimed to separate and upcycle up to more than 80% of the two main constituents of such structures, polyolefins and polyesters, for a significantly lower cost and at higher energetic efficiency and much larger throughputs than chemical recycling. At the end of the project, the team was able to: a) Develop an extrusion-based separation technology that resorts to polyester depolymerizaton and extraction and allows for more than 90% of the polyester to be separated in the melt from the main polyolefin stream. b) Depolymerize the separated PET to more than 90%, which facilitates its posterior repolymerization and guarantees its retention in the polymer value-chain. c) Develop a zeolite-induced extrusion-based technology able to conduct continuous catalytic cracking of polyolefins, including highly contaminated PCR streams, at temperatures as low as 350 OC. d) Show, using LCA/TEA analysis that the two technologies are much more advantageous techno-economically and over the material’s life cycle than existing recycling technologies.

36 MATERIALS SCIENCE↗
NASA NTRS1975

On the use of the earth resources technology satellite /LANDSAT-1/ in optical oceanography

Observations of the Gulf Stream System in the Gulf of Mexico were obtained in synchronization with LANDSAT-1. Computer enhanced images, which are necessary to extract useful oceanic information, show that the current can be observed by color (diffuse radiance) or sea state (specular radiance) effects associated with the cyclonic boundary even in the absence of a surface thermal signature. The color effect relates to the spectral variations in the optical properties of the water and its suspended particles, and is studied by radiative transfer theory. Significant oceanic parameters identified are: the probability of forward scattering, and the ratio of scattering to total attenuation. Several spectra of upwelling diffuse light are computed as a function of the concentration of particles and yellow substance.

Maul, G. A.↗
NASA NTRS2013

Influence of Computational Drop Representation in LES of a Droplet-Laden Mixing Layer

Multiphase turbulent flows are encountered in many practical applications including turbine engines or natural phenomena involving particle dispersion. Numerical computations of multiphase turbulent flows are important because they provide a cheaper alternative to performing experiments during an engine design process or because they can provide predictions of pollutant dispersion, etc. Two-phase flows contain millions and sometimes billions of particles. For flows with volumetrically dilute particle loading, the most accurate method of numerically simulating the flow is based on direct numerical simulation (DNS) of the governing equations in which all scales of the flow including the small scales that are responsible for the overwhelming amount of dissipation are resolved. DNS, however, requires high computational cost and cannot be used in engineering design applications where iterations among several design conditions are necessary. Because of high computational cost, numerical simulations of such flows cannot track all these drops. The objective of this work is to quantify the influence of the number of computational drops and grid spacing on the accuracy of predicted flow statistics, and to possibly identify the minimum number, or, if not possible, the optimal number of computational drops that provide minimal error in flow prediction. For this purpose, several Large Eddy Simulation (LES) of a mixing layer with evaporating drops have been performed by using coarse, medium, and fine grid spacings and computational drops, rather than physical drops. To define computational drops, an integer NR is introduced that represents the ratio of the number of existing physical drops to the desired number of computational drops; for example, if NR=8, this means that a computational drop represents 8 physical drops in the flow field. The desired number of computational drops is determined by the available computational resources; the larger NR is, the less computationally intensive is the simulation. A set of first order and second order flow statistics, and of drop statistics are extracted from LES predictions and are compared to results obtained by filtering a DNS database. First order statistics such as Favre averaged stream-wise velocity, Favre averaged vapor mass fraction, and the drop stream-wise velocity, are predicted accurately independent of the number of computational drops and grid spacing. Second order flow statistics depend both on the number of computational drops and on grid spacing. The scalar variance and turbulent vapor flux are predicted accurately by the fine mesh LES only when NR is less than 32, and by the coarse mesh LES reasonably accurately for all NR values. This is attributed to the fact that when the grid spacing is coarsened, the number of drops in a computational cell must not be significantly lower than that in the DNS.

Bellan, Josette↗
DOE OSTI2025

SPC-71260 Rev 0 MARVEL Heat Extraction Subsystem Secondary Coolant Equipment (SCE) Design/Build

A. The Microreactor Applications Research Validation and Evaluation (MARVEL) reactor will offer experimental capabilities that are not currently available at DOE’s national laboratories. Idaho National Laboratory (INL), operated for the U.S. Department of Energy (DOE) by Battelle Energy Alliance, LLC (BEA) (Contractor hereafter) is procuring services for the design, analysis, fabrication, testing and delivery of a Secondary Coolant Equipment system (SCE). This specification contains the requirements for design, analysis, fabrication, testing and delivery of the SCE as described herein. The MARVEL reactor is a microreactor which uses eutectic sodium-potassium alloy (NaK) as a primary coolant. The primary coolant is circulated through four primary loops by natural convection of the coolant. In each loop is a closed well which will accommodate an intermediate heat exchanger (IHX) for extracting heat from the loop. These wells will be referred to in this specification as the “IHX wells.” It is intended for the IHX containment to also be filled with NaK. The MARVEL design team has determined that a Heat Extraction System (HES) using pumped NaK will be used to extract heat from the IHXs and deliver it to a downstream system for power generation or alternate process heat users. This Heat Extraction System will enable MARVEL operations including the ability to test, demonstrate, and address issues related to installation, startup, and operations. In addition, it will allow down-stream utilization of process heat for various uses. The objective of this specification is to develop the final design for the HES Secondary Coolant Equipment system (SCE) that will be used as the core of the HES. This system provides control of the NaK circulation between the MARVEL reactor and the subsequent process heat utilization systems. It does not include design of the Intermediate Heat Exchangers and piping inside the T-REXc pit in which the reactor is located. B. The MARVEL microreactor will be installed in the Transient Reactor Test Facility (TREAT) building in the Transient Reactor Test (TREAT) Micro-Reactor Experiment Cell (T-REXc) C. An INL Subcontractor has developed a conceptual design for this system per SPC-71145, referred to in that specification as the Process Heat Extraction System. SPC-71260 is based on the pumped NaK loop concept developed under SPC-71145. D. The SCE system design and (as option scope) fabrication shall be provided by the awardee of the subcontract (Subcontractor hereafter) pertaining to this Specification. Prior to shipment, the SCE will be fabricated, assembled, and tested at the Subcontractor’s facility. After successful completion of acceptance testing, the SCE and associated equipment will be shipped to the Materials and Fuels Complex (MFC) at the INL (Contractor’s Facility hereafter) to be installed by others in TREAT/T-REXc.

21 - SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLAN↗
DOE OSTI2025

Electrochemical Recovery of Iron from Spent Pickle Liquor by Chloride-Based Molten Salt Electrolysis

Spent pickle liquor (SPL) is a waste stream generated in the steel industry that presents both a disposal challenge and a potential resource for metal recovery. This study investigates the electrochemical extraction of high-purity iron metal from SPL using chloride-based molten salt electrolysis (CMSE). Electrochemical characterization of diluted SPL confirmed Fe 2+ as the dominant species. Thermal dehydration of SPL under inert atmosphere yielded FeCl 2 -rich solids, which were directly employed as feedstock for electrolysis in LiCl–KCl eutectic melts at 500 °C. Cyclic voltammetry of FeCl 2 in this melt revealed well-defined Fe 2+ /Fe 0 redox behavior within the electrochemical stability window of the supporting electrolyte. High coulombic efficiency (>85%) electrodeposition was achieved demonstrating that iron metal can be produced from dehydrated SPL by CMSE. The electrodeposited iron exhibited >98 wt% purity, which was further enhanced to 99.9 wt% via arc melting. The resulting iron powder was ferromagnetic, and its size distribution was found to be suitable for powder metallurgy applications. This work demonstrates a scalable, energy-efficient pathway for valorizing SPL into high-purity iron metal, advancing circular economy strategies in the steel industry.

Materials science↗
DOE OSTI2024

Bringing Alaska's Carbon Ore, Rare Earth, and Critical Minerals (CORE-CM) into Perspective

The final report outlines the outcomes of the Alaska CORE-CM Program, funded by the U.S. Department of Energy under award DE-FE0032050. Led by the University of Alaska Fairbanks and the Alaska Division of Geological and Geophysical Surveys, with assistance from other organizations, the project assessed Alaska's potential for Carbon Ore, Rare Earth Elements, and Critical Minerals (CORE-CM). Leveraging advanced analytical techniques, the project identified high-potential resource basins, evaluated geochemical and satellite data, and conducted targeted field investigations. Findings revealed promising concentrations of critical minerals in legacy samples and newly collected materials. The project also investigated innovative extraction technologies, including BioExtraction and use of supercritical CO2, which show significant promise for sustainable resource recovery. Additionally, the study explored the reuse of waste streams from active mining operations and coal byproducts such as using alkali-activated coal ash to manufacture concrete. Infrastructure and logistical challenges in Alaska’s remote regions are discussed, alongside strategies to establish a Technology Innovation Center aimed at advancing CORE-CM development in Alaska. The report includes actionable insights to support Alaska’s critical role in securing domestic supplies of essential minerals while addressing economic, environmental, and technological challenges.

01 COAL, LIGNITE, AND PEAT↗
NASA NTRS2000

Thermodynamic Cycle Analysis of Magnetohydrodynamic-Bypass Hypersonic Airbreathing Engines

The prospects for realizing a magnetohydrodynamic (MHD) bypass hypersonic airbreathing engine are examined from the standpoint of fundamental thermodynamic feasibility. The MHD-bypass engine, first proposed as part of the Russian AJAX vehicle concept, is based on the idea of redistributing energy between various stages of the propulsion system flow train. The system uses an MHD generator to extract a portion of the aerodynamic heating energy from the inlet and an MHD accelerator to reintroduce this power as kinetic energy in the exhaust stream. In this way, the combustor entrance Mach number can be limited to a specified value even as the flight Mach number increases. Thus, the fuel and air can be efficiently mixed and burned within a practical combustor length, and the flight Mach number operating envelope can be extended. In this paper, we quantitatively assess the performance potential and scientific feasibility of MHD-bypass engines using a simplified thermodynamic analysis. This cycle analysis, based on a thermally and calorically perfect gas, incorporates a coupled MHD generator-accelerator system and accounts for aerodynamic losses and thermodynamic process efficiencies in the various engin components. It is found that the flight Mach number range can be significantly extended; however, overall performance is hampered by non-isentropic losses in the MHD devices.

Litchford, R. J.↗
DOE OSTI2024

L-PBF High-Throughput Data Pipeline Approach for Multi-modal Integration

Abstract Metal-based additive manufacturing requires active monitoring solutions for assessing part quality. Multiple sensors and data streams, however, generate large heterogeneous data sets that are impractical for manual assessment and characterization. In this work, an automated pipeline is developed that enables feature extraction from high-speed camera video and multi-modal data analysis. The framework removes the need for manual assessment through the utilization of deep learning techniques and training models in a weakly supervised paradigm. We demonstrate this pipeline’s capability over 700,000 high-speed camera frames. The pipeline successfully extracts melt pool and spatter geometries and links them to corresponding pyrometry, radiography, and processparameter information. 715 individual prints are examined to reveal melt pool areas that exceeds 0.07 mm 2 and pyrometry signal over a threshold (375 pyrometry units) were more likely to have defects. These automated processes enable massive throughput of characterization techniques.

36 MATERIALS SCIENCE↗
NASA NTRS1987

Thermal convection in a rotating shear flow

The dynamics of thermal convection in a rotating shear flow was studied using a three-dimensional time-dependent numerical model of the flow. The model assumes a sheared zonal wind in the form of an atmospheric jet stream and considers convective motions imbedded in this flow. It was found that rotation plays a vital role in the dynamics. Without rotation, the convective motions extract energy and momentum from the mean zonal flow. With rotation, the convective motions feed the energy and momentum into the mean flow. The results show how the small-scale convection might influence the large-scale dynamics of rotating stars and planets.

Hathaway, David H.↗
NASA NTRS1980

The Parker spiral configuration of the interplanetary magnetic field between 1 and 8.5 AU

The magnetic field data from the Pioneer 10 and 11 spacecraft show that the field directions between 1 and 8.5 AU are in accordance with the Parker spiral directions within quiet and interaction regions. The included angle between the inward and outward sectored field directions is near 180 deg; the field direction manifests greater variability in quiet regions than in interaction zones. The fractional polarities below 10 deg heliographic latitude are dominated by temporal variations; however, dual-spacecraft investigations permitted a significant latitudinal gradient to be extracted. The sector structure extended occasionally to 16 deg heliographic latitude during the period of average current sheet inclination in 1976; it is proposed that the fast streams associated with interaction regions may move the current sheet to higher latitudes when the source of the fast plasma is in the southern solar hemisphere.

Thomas, B. T.↗
NASA NTRS2010

A Data Filter for Identifying Steady-State Operating Points in Engine Flight Data for Condition Monitoring Applications

This paper presents an algorithm that automatically identifies and extracts steady-state engine operating points from engine flight data. It calculates the mean and standard deviation of select parameters contained in the incoming flight data stream. If the standard deviation of the data falls below defined constraints, the engine is assumed to be at a steady-state operating point, and the mean measurement data at that point are archived for subsequent condition monitoring purposes. The fundamental design of the steady-state data filter is completely generic and applicable for any dynamic system. Additional domain-specific logic constraints are applied to reduce data outliers and variance within the collected steady-state data. The filter is designed for on-line real-time processing of streaming data as opposed to post-processing of the data in batch mode. Results of applying the steady-state data filter to recorded helicopter engine flight data are shown, demonstrating its utility for engine condition monitoring applications.

Simon, Donald L.↗
DOE OSTI2026

Extracting Critical Metals from Authentic Bauxite Residue

Securing domestic sources of critical minerals (CM) is paramount to ensuring a robust and self-sustaining technology infrastructure. Utilizing untapped non-conventional sources, like acid mine drainage, coal ash, bauxite residue/red mud, and more is an emerging approach that addresses this national concern while identifying new value-added pathways originating from waste streams. Red mud is a byproduct of the Bayer process that produces alumina and contains a wealth of CM – 50 µg/g Ga, 2.9 mg/g total rare earth elements plus yttrium, 12 mg/g Mn, 58 mg/g Al, and others. About 170 MM tonnes of red mud are co-produced annually alongside the 142 MM tonnes of alumina generated, highlighting the abundancy of this feedstock. In this work, different strategies were explored for extracting CM from authentic bauxite residue that involve thermal heating, microwave heating, and sonication all with different acids and buffers. CM recovery was then explored one step further by testing the adsorption of the extracted metals onto NETL’s Multi-functional Sorbent Technology (MUST). Microwave treatment of red mud proved the most effective CM extraction, whereas sonication was less desirable due to scale-up concerns. Successful recovery of CM from this leachate with MUST supports further studies toward optimizing the overall process.

bauxite residue↗
NASA NTRS1991

Quantification of vapor screen analysis

The traditionally qualitative method of vapor screening is applied to the task of gathering quantitative density measurements in supersonic flows. Quantitative density information for flow around a two-dimensional biconvex airfoil at Mach 2.8 is extracted from digitized images of vapor screens by assuming a linear relation between particle density and scattering intensity. Intensity readings are calibrated through known conditions in the free stream and at the airfoil bow shock. The experimental results are compared to densities generated by a Euler code and determined to have errors of less than ten percent.

Benedict, Lance H.↗
NASA NTRS1975

Extraction and utilization of space acquired physiographic data for water resources development

ERTS-1 satellite imagery was evaluated as a means of providing useful watershed physiography information. From these data physiographic parameters such as drainage basin area and shape, drainage density, stream length and sinuosity, and the percentage of a watershed occupied by major land use types were obtained in three study areas. The study areas were: (1) Southwestern Wisconsin; (2) Eastern Colorado, and (3) portions of the Middle Atlantic States. Using ERTS-1 imagery at 1:250,000 and 1:100,000 scales it was found that drainage basin area and shape and stream sinuosity were comparable (within 10%) in all study areas to physiographic measurements derived from conventional topographic maps at the same scales.

Rango, A.↗
NASA NTRS1972

Study of a comet rendezvous mission. Volume 2: Appendices

Appendices to the comet Encke rendezvous mission consider relative positions of comet, earth and sun; viewing condition for Encke; detection of Taurid meteor streams; ephemeris of comet Encke; microwave and optical techniques in rendezvous mission; approach instruments; electrostatic equilibrium of ion engine spacecraft; comet flyby data for rendezvous spacecraft assembly; observations of P/Encke extracted from a compilation; and summary of technical innovations.

Source record↗