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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

RouteE: A Vehicle Energy Consumption Prediction Engine

The emergence of connected and automated vehicles and smart cities technologies create the opportunity for new mobility modes and routing decision tools, among many others. To achieve maximum mobility and minimum energy consumption, it is critical to understand the energy cost of decisions and optimize accordingly. The Route Energy prediction model (RouteE) enables accurate estimation of energy consumption for a variety of vehicle types over trips or sub-trips where detailed drive cycle data are unavailable. Applications include vehicle route selection, energy accounting and optimization in transportation simulation, and corridor energy analyses, among others. The software is a Python package that includes a variety of pre-trained models from the National Renewable Energy Laboratory (NREL). However, RouteE also enables users to train custom models using their own data sets, making it a robust and valuable tool for both fast calculations and rigorous, data-rich research efforts. The pre-trained RouteE models are established using NREL's Future Automotive Systems Technology Simulator paired with approximately 1 million miles of drive cycle data from the Transportation Secure Data Center, resulting in energy consumption behavior estimates over a representative sample of driving conditions for the United States. Validations have been performed using on-road fuel consumption data for conventional and electrified vehicle powertrains. Transferring the results of the on-road validation to a larger set of real-world origin-destination pairs, it is estimated that implementing the present methodology in a green-routing application would accurately select the route that consumes the least fuel 90% of the time. The novel machine learning techniques used in RouteE make it a flexible and robust tool for a variety of transportation applications.

47 OTHER INSTRUMENTATION↗
DOE OSTI2018

On-line optimization scheme for HVAC demand response

A computer-implemented method of optimizing demand-response (DR) of a heating, ventilation, and air-conditioning (HVAC) system of a building, includes determining (30, 31, 32) a value of an objective function F.sub.ij of a HVAC system for each of a plurality of DR strategies j for each of a plurality of weather patterns i that is a weighted sum of an energy cost of the HVAC system and a thermal comfort loss of the HVAC system, assigning (33, 34, 35, 36) a likelihood score L.sub.i,j to each of a selected subset of near-optimal DR strategies j for each weather pattern i, and selecting (37, 38) those near-optimal DR strategies with large overall likelihood scores L.sub.j to create an optimal strategy pool of DR strategies. An optimal strategy pool can be searched (39) in real-time for an optimal DR strategy for a given weather pattern.

42 ENGINEERING↗
DOE OSTI2021

The efficacy of Lewis affinity scale metrics to represent solvent interactions with reagent salts in all-inorganic metal halide perovskite solutions

Solvents employed in the solution processing of metal halide perovskites are known to play a key role in defining the morphology and properties of the resulting thin film, and thus the performance of perovskite solar cell devices. Accurate metrics are needed that are capable of differentiating among candidates, finding solvents that adequately solubilize the various precursor species in solution and facilitate the nucleation and growth of these materials. Existing metrics such as the unsaturated Mayer bond order (UMBO) and the Gutmann donor number (DN) have been tested for lead iodide perovskite systems; but there has yet to be a comprehensive study on their transferability to lead-free perovskite solutions. Here, we use ab initio methods (density functional theory) and regression analysis tools to study the usefulness of DN and BF 3 affinity scales in this regard. We compared the relative effectiveness of these scales to describe interactions between solvents and BXn perovskite salts of lead (Pb 2+ ), tin (Sn 2+ and Sn 4+ ), germanium (Ge 2+ ), bismuth (Bi 3+ ), and antimony (Sb 3+ and Sb 5+ ). The DN proved to be a better representation than the BF 3 of such interactions, reflecting the closer similarity of these species to the “parent” SbCl 5 Lewis acid than to BF 3 . In addition, we have uncovered the usefulness of the lithium cation affinity metric (LCA) to describe the strength of interactions between solvents and A-site cations (e.g. Na + , K + , Rb + and Cs + ) in all-inorganic metal halide perovskite solutions. We find that the coordination strengths of solvents towards species in all-inorganic metal halide perovskite solutions are best described by two different metrics with distinct modes of action: DN differentiates among BX n salt complexes, and LCA among A-site cation species. This revelation can help guide the choice of solvent to optimize processing conditions. It also emphasizes the importance of selecting solvents whose DN and LCA optimize coordination to key Lewis acid species in all-inorganic perovskite solutions.

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

Complete Optimization of LPBF Ni-Based Alloys Down-Selected from FY23 Candidate Materials Including, Thermodynamic Modeling, Sample Fabrication and Microstructure Characterization

The goal of the Advanced Materials and Manufacturing Technologies (AMMT) program is to accelerate the incorporation of new materials and manufacturing technologies into advanced nuclear-related systems. Although 316H stainless steel fabricated by laser powder bed fusion (LPBF) has already been identified as an alloy that could have a significant effect on various reactor technologies, many other materials and manufacturing techniques are being evaluated. Nickel-based alloys typically offer higher-temperature capabilities compared with advanced stainless steels, and previous reports looked at three Ni-based alloy categories: low-Co alloys with a potential use close to the reactor core; high-temperature, high-strength alloys; and molten salt–compatible alloys. In the first category, alloy 718 was studied in 2023, and creep testing at 600°C and 650°C revealed that the alloy exhibited great creep strength after the appropriate annealing but had low ductility. Advanced characterization was recently conducted to highlight the presence of strengthening γ' and γ" precipitates after creep testing and to show that brittle phases at grain boundaries might explain the low ductility of LPBF 718 compared with wrought 718. For the high-temperature, high-strength alloys, previously purchased powders of alloys 617, 230, and 625 were used to assess the printability of these three solution-strengthened alloys. Hot cracking could not be suppressed for alloy 617 and 230, and it was shown that these cracks, which were elongated along the build direction (BD), had a drastic effect on the ductility of alloy 230 at room temperature when specimens were machined perpendicular to the BD. On the contrary, LPBF printing of crack-free alloy 625 was achieved using similar printing parameters, and the alloy looked like a promising candidate for various reactor technologies. The fabrication of alloy 282 by LPBF, a γ'-strengthened alloy with great creep strength up to 800°C, was performed in 2023, and x-ray computed tomography (XCT) scans of the alloy before and after creep testing at 750°C were carried out to assess the effect of flaws on the alloy’s creep behavior. Correlation between the flaws’ volume fraction, creep ductility, and creep lifetime could be established, and future work on LPBF 625 will take full advantage of in situ printing data and ex situ XCT scans to accelerate the alloy qualification. Finally, single track experiments were performed on the two alloys previously identified as good molten salt–resistant, Ni-based candidates: Hastelloy N and 244. Various laser parameters were considered, and cracking was not observed for either of the two alloys. Wrought 244 offers better creep strength and molten salt compatibility than alloy 625, and future work will aim to establish the alloy LPBF processing window.

36 MATERIALS SCIENCE↗
NASA NTRS2011

Combined Retrievals of Boreal Forest Fire Aerosol Properties with a Polarimeter and Lidar

Absorbing aerosols play an important, but uncertain, role in the global climate. Much of this uncertainty is due to a lack of adequate aerosol measurements. While great strides have been made in observational capability in the previous years and decades, it has become increasingly apparent that this development must continue. Scanning polarimeters have been designed to help resolve this issue by making accurate, multi-spectral, multi-angle polarized observations. This work involves the use of the Research Scanning Polarimeter (RSP). The RSP was designed as the airborne prototype for the Aerosol Polarimetery Sensor (APS), which was due to be launched as part of the (ultimately failed) NASA Glory mission. Field observations with the RSP, however, have established that simultaneous retrievals of aerosol absorption and vertical distribution over bright land surfaces are quite uncertain. We test a merger of RSP and High Spectral Resolution Lidar (HSRL) data with observations of boreal forest fire smoke, collected during the Arctic Research of the Composition of the Troposphere from Aircraft and Satellites (ARCTAS). During ARCTAS, the RSP and HSRL instruments were mounted on the same aircraft, and validation data were provided by instruments on an aircraft flying a coordinated flight pattern. We found that the lidar data did indeed improve aerosol retrievals using an optimal estimation method, although not primarily because of the constraints imposed on the aerosol vertical distribution. The more useful piece of information from the HSRL was the total column aerosol optical depth, which was used to select the initial value (optimization starting point) of the aerosol number concentration. When ground based sun photometer network climatologies of number concentration were used as an initial value, we found that roughly half of the retrievals had unrealistic sizes and imaginary indices, even though the retrieved spectral optical depths agreed within uncertainties to independent observations. The convergence to an unrealistic local minimum by the optimal estimator is related to the relatively low sensitivity to particles smaller than 0.1 ( m) at large optical thicknesses. Thus, optimization algorithms used for operational aerosol retrievals of the fine mode size distribution, when the total optical depth is large, will require initial values generated from table look-ups that exclude unrealistic size/complex index mixtures. External constraints from lidar on initial values used in the optimal estimation methods will also be valuable in reducing the likelihood of obtaining spurious retrievals.

Knobelspiesse, K.↗
NASA NTRS2016

Sleep Environment Recommendations for Future Spaceflight Vehicles

Current evidence demonstrates that astronauts experience sleep loss and circadian desynchronization during spaceflight. Ground-based evidence demonstrates that these conditions lead to reduced performance, increased risk of injuries and accidents, and short and long-term health consequences. Many of the factors contributing to these conditions relate to the habitability of the sleep environment. Noise, inadequate temperature and airflow, and inappropriate lighting and light pollution have each been associated with sleep loss and circadian misalignment during spaceflight operations and on Earth. As NASA prepares to send astronauts on long-duration, deep space missions, it is critical that the habitability of the sleep environment provide adequate mitigations for potential sleep disruptors. We conducted a comprehensive literature review summarizing optimal sleep hygiene parameters for lighting, temperature, airflow, humidity, comfort, intermittent and erratic sounds, and privacy and security in the sleep environment. We reviewed the design and use of sleep environments in a wide range of cohorts including among aquanauts, expeditioners, pilots, military personnel and ship operators. We also reviewed the specifications and sleep quality data arising from every NASA spaceflight mission, beginning with Gemini. Finally, we conducted structured interviews with individuals experienced sleeping in non-traditional spaces including oil rig workers, Navy personnel, astronauts, and expeditioners. We also interviewed the engineers responsible for the design of the sleeping quarters presently deployed on the International Space Station. We found that the optimal sleep environment is cool, dark, quiet, and is perceived as safe and private. There are wide individual differences in the preferred sleep environment; therefore modifiable sleeping compartments are necessary to ensure all crewmembers are able to select personalized configurations for optimal sleep. A sub-optimal sleep environment is tolerable for only a limited time, therefore individual sleeping quarters should be designed for long-duration missions. In a confined space, the sleep environment serves a dual purpose as a place to sleep, but also as a place for storing personal items and as a place for privacy during non-sleep times. This need for privacy during sleep and wake appears to be critically important to the psychological well-being of crewmembers on long-duration missions.

Flynn-Evans, Erin E.↗
NASA NTRS2016

Sleep Environment Recommendations for Future Spaceflight Vehicles

We conducted a comprehensive literature review summarizing optimal sleep hygiene parameters for lighting, temperature, airflow, humidity, comfort, intermittent and erratic sounds, and privacy and security in the sleep environment. We reviewed the design and use of sleep environments in a wide range of cohorts including among aquanauts, expeditioners, pilots, military personnel and ship operators. We also reviewed the specifications and sleep quality data arising from every NASA spaceflight mission, beginning with Gemini. Finally, we conducted structured interviews with individuals experienced in sleeping in non-traditional spaces including oilrig workers, Navy personnel, astronauts, and expeditioners. We also interviewed the engineers responsible for the design of the sleeping quarters presently deployed on the International Space Station. We found that the optimal sleep environment is cool, dark, quiet, and is perceived as safe and private. There are wide individual differences in the preferred sleep environment; therefore modifiable sleeping compartments are necessary to ensure all crewmembers are able to select personalized configurations for optimal sleep. It is possible to utilize lessons learned from prior spaceflight missions and from other industries in order to guide the design of an optimal sleep space suitable for long-duration spaceflight.

spaceflight↗
NASA NTRS2016

Sleep Environment Recommendations for Future Spaceflight Vehicles

Evidence from spaceflight and ground-based missions demonstrate that sleep loss and circadian desynchronization occur among astronauts, leading to reduced performance and, increased risk of injuries and accidents. We conducted a comprehensive literature review to determine the optimal sleep environment for lighting, temperature, airflow, humidity, comfort, intermittent and erratic sounds, privacy and security in the sleep environment. We reviewed the design and use of sleep environments in a wide range of cohorts including among aquanauts, expeditioners, pilots, military personnel, and ship operators. We also reviewed the specifications and sleep quality data arising from every NASA spaceflight mission, beginning with Gemini. We found that the optimal sleep environment is cool, dark, quiet, and is perceived as safe and private. There are wide individual differences in the preferred sleep environment; therefore modifiable sleeping compartments are necessary to ensure all crewmembers are able to select personalized configurations for optimal sleep.

Caddick, Zachary A.↗
DOE OSTI2023

Assessment of the impact of reactor residence time distribution on non-equilibrium product selectivity of polypropylene pyrolysis using reactive molecular dynamics simulations

Mass residence time distribution (RTD) is considered to be an important factor controlling the product selectivity in the pyrolysis of biomass and plastic wastes along with the pyrolysis chemistry. However, due to the complex pyrolysis chemistry of biomass and plastic waste, the coupling between the reaction chemistry, RTD, and product selectivity is challenging to understand. Here, we introduce a reaction molecular dynamics-based method to examine pyrolysis chemistry and species timescales to assess the impact of RTD on product selectivity and yield. To validate this method, reactive molecular dynamics simulations were conducted for polypropylene pyrolysis and its non-equilibrium product selectivity using 6 different RTDs. We find that the RTD and the reaction chemistry control the peak non-equilibrium product concentrations. The peak monomer (C 3 H 6 ) concentration during pyrolysis can be increased by up to 25 % by using a narrow RTD in the case of polypropylene pyrolysis. We also find that product selectivity is strongly affected by the average residence time and RTD. This coupling between the reaction chemistry, RTD, and product selectivity highlights the need to understand detailed reaction chemistry to control RTD and optimize non-equilibrium product selectivity during polymer and biomass pyrolysis. The present method provides a new way to design RTD for reactors to reach maximized product selectivity of plastic waste and biomass.

33 ADVANCED PROPULSION SYSTEMS↗
NASA NTRS1992

The EUVE proposal database and scheduling system

The proposal database and scheduling system for the Extreme Ultraviolet Explorer will be described. The proposal database has been implemented to take input for approved observations selected by the EUVE Peer Review Panel and output target information suitable for the scheduling system to digest. The scheduling system is a hybrid of the SPIKE program and EUVE software which checks spacecraft constraints, produces a proposed schedule and selects spacecraft orientations with optimal configurations for acquiring star trackers, etc. This system has been used to schedule the In Orbit Calibration activities that took place this summer, following the EUVE launch in early June 1992. The implemented strategy has implications for the selection of approved targets, which have impacted the Peer Review process. In addition, it will be discussed how the proposal database, founded on Sybase, controls the processing of EUVE Guest Observer data.

Christian, C.↗
DOE OSTI2022

High Yield, Economical and Environmentally Benign Production of Rare Earth Elements from Coal Ash (Phase II Final Summary Report)

Fly ash stored in landfills and ponds across the United States is an attractive, abundant domestic resource for the cost-effective recovery of rare earth elements (REE) and other critical minerals (CM). Physical Sciences Inc. (PSI) and its team members, Winner Water Services (WWS) and University of Kentucky/Center for Applied Energy Research (UK/CAER) successfully executed a multiphase program that developed technologies and their implementation in a pilot plant. We demonstrated plant operations for cost-effective and environmentally-friendly production of rare earth element oxide (REO) concentrates, and the critical minerals scandium and aluminum (in the forms of salts or oxide products), from coal ash. We also constructed and demonstrated a research-scale (0.5 kg/day) micropilot facility to validate the key physical and chemical processing operations, predict yields, and troubleshoot process bottlenecks. The project team then designed, constructed and operated two decoupled pilot plants: (1) an operational pilot plant for physical separation processes with capacity of 0.4 metric tons per day (tpd), where we optimized processes to produce selected ash fractions as the feedstock for chemical processing and as valuable byproducts such as cenospheres, magnetic ash, and secondary fuel carbon, and (2) an operational pilot plant for chemical ash processing with a capacity of 0.5 tpd that developed optimized processes for the production of: (a) REO concentrates, (b) critical minerals (Sc, Al), and (c) beneficiated ash as a valuable byproduct suitable for cement applications. In Phase I, the project team (with Equinox Chemicals in place of WWS) developed and demonstrated the feasibility of the physical and chemical separation processes, developed the design of a pilot plant, and began the development of a preliminary techno-economic model. In the baseline (initial) Phase II program, the project team developed and demonstrated the above pilot scale plant, producing salable REE concentrates, including Y and Sc (REYSc), plus commercially viable byproducts, using environmentally safe and high-yield physical and chemical enrichment processes. The team successfully demonstrated chemical pilot design, construction, shakedown, and operations of the plant. We produced the Phase II deliverable REYSc concentrate ((50 g of >60 wt.% purity REYSc salts on elemental basis), generated the feed for the Phase II follow-on program, identified processing challenges for future optimizations, and refined the techno-economic model. In the Phase II follow-on program, the project team: (1) developed and demonstrated processes to increase the REE amount by 3X (content basis) and convert the Phase II REE salt mixture to an oxide mixture, (2) produced/delivered >38 g of REO mixture with >85 wt.% purity (elemental basis); (3) developed processes to recover critical minerals scandium and aluminum from intermediate streams; (4) produced/delivered > 1 g of scandium salt mixture with >85 wt. % purity (elemental basis); (5) produced/delivered > 100 g of aluminum oxide type material with >70% wt. purity (elemental basis); and (6) updated the techno-economic model from the baseline Phase II program to assess CAPEX and OPEX of a commercial operation. This program has developed extensive databases on process chemistry, unit operations, plant engineering, and techno-economics that will enable further scale-up toward commercial plant design. Specific future developments will be focused on achieving dramatic savings in energy, reagent usage, and operating costs. The combined results will contribute significantly for maturing the technologies of REE recovery from coal byproducts and promote the establishment of domestic REE and CM supply chains.

01 COAL, LIGNITE, AND PEAT↗
NASA NTRS1981

Photovoltaic module and array reliability

Several statistical reliability studies have been conducted in areas of photovoltaic component design covering cell failure, interconnect fatigue, glass breakage and electrical insulation breakdown. This paper integrates the results from these various studies and draws general conclusions relative to optimal reliability features for future modules. The described analysis is based on designing for specified low levels of component failures and then controlling the degrading effects of the failures through the use of fault tolerant circuitry and module replacement. Means of selecting the cost-optimal level of component failures, circuit redundancy, and module replacement are described.

Ross, R. G., Jr.↗
NASA NTRS2015

Aeroelastic Tailoring Study of N+2 Low Boom Supersonic Commerical Transport Aircraft

The Lockheed Martin N+2 Low - boom Supersonic Commercial Transport (LSCT) aircraft was optimized in this study through the use of a multidisciplinary design optimization tool developed at the National Aeronautics and S pace Administration Armstrong Flight Research Center. A total of 111 design variables we re used in the first optimization run. Total structural weight was the objective function in this optimization run. Design requirements for strength, buckling, and flutter we re selected as constraint functions during the first optimization run. The MSC Nastran code was used to obtain the modal, strength, and buckling characteristics. Flutter and trim analyses we re based on ZAERO code, and landing and ground control loads were computed using an in - house code. The w eight penalty to satisfy all the design requirement s during the first optimization run was 31,367 lb, a 9.4% increase from the baseline configuration. The second optimization run was prepared and based on the big-bang big-crunch algorithm. Six composite ply angles for the second and fourth composite layers were selected as discrete design variables for the second optimization run. Composite ply angle changes can't improve the weight configuration of the N+2 LSCT aircraft. However, this second optimization run can create more tolerance for the active and near active strength constraint values for future weight optimization runs.

low boom supersonic civil transport↗
DOE OSTI2018

Structure-Guided Design and Procognitive Assessment of a Potent and Selective Phosphodiesterase 2A Inhibitor

In this paper we describe the development of a series of pyrazolopyrimidinone phosphodiesterase 2A (PDE2) inhibitors using structure-guided lead identification and design. The series was derived from informed chemotype replacement based on previously identified internal leads. The initially designed compound 3, while potent on PDE2, displayed unsatisfactory selectivity against the other PDE2 isoforms. Compound 3 was subsequently optimized for improved PDE2 activity and isoform selectivity. Insights into the origins of PDE2 selectivity are described and verified using cocrystallography. An optimized lead, 4, demonstrated improved performance in both a rodent and a nonhuman primate cognition model.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

Study of Data-Driven Mesh-Model Optimization in System Thermal-Hydraulic Simulation

Quantification of nuclear power plant safety risk requires a systematic and yet practical approach to identification of accident scenarios, assessment of their likelihood and consequences. Instrumental to this goal is risk-informed safety margin characterization (RISMC) framework, whose realization requires computationally robust and affordable methods for sufficiently accurate simulation of complex multi-dimensional physical phenomena, such as turbulent and multi-phase flow. The CFD-like correlation-based codes with 3D simulation capability (e.g., GOTHIC) ensure computational efficiency using coarse mesh size and the sub-grid phenomena in the boundary layer that can be captured by adequate constitutive correlations. However, the error sources and user effects on the selection of mesh size and models lead to unpredictable simulation error, while rich High-Fidelity (HF) data from experiments and numerical simulation using validated code or DNS are not fully explored. It would be useful to have a “smart” data-driven multi-scale framework in which the low-resolution models can be “taught” to emulate high-resolution models. The objective of this work is to develop and evaluate a physical-based data-driven mesh-model optimization approach (Optimized Mesh/Model Information System, OMIS) to estimate the simulation error and give advice on the optimized selection of coarse mesh size and Low-Fidelity (LF) models for System Thermal Hydraulic (STH) simulation to achieve accuracy comparable to that of HF models. This approach takes advantages of computational efficiency of coarse-mesh simulation and application of Machine Learning (ML) algorithms.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Affinity of small-molecule solutes to hydrophobic, hydrophilic, and chemically patterned interfaces in aqueous solution

Significance Increasing global population, urbanization, and climate change pose tremendous constraints on water availability. While membrane processes offer attractive, energy-efficient options, transformative advances in membrane technology are needed to enable reuse of poor-quality waters from diverse sources. This work brings fundamental understanding of solute–surface interactions to membrane phenomena, including selectivity and fouling. Molecular simulations reveal limitations of traditional predictive measures of solute–surface partitioning, suggesting alternative thermodynamic signatures for solute binding that highlight the contextual nature of hydrophobicity. An inverse design algorithm provides a tool to pattern membrane nanoscale chemistry to optimize solute affinity and selectivity. This work demonstrates how simulations can inform practical materials design for sustainable water treatment and, more broadly, many technologies involving water-mediated solute–surface interactions.

36 MATERIALS SCIENCE↗
DOE OSTI2022

High Yield, Economical and Environmentally Benign Production of Rare Earth Elements from Coal Ash [Abstract]

Fly ash stored in landfills and ponds across the United States is an attractive, abundant domestic resource for the cost-effective recovery of rare earth elements (REE) and other critical minerals (CM). Physical Sciences Inc. (PSI) and its team members, Winner Water Services (WWS) and University of Kentucky/Center for Applied Energy Research (UK/CAER) successfully executed a multiphase program that developed and demonstrated pilot plant operations for cost-effective and environmentally-friendly production of rare earth element oxide (REO) concentrates, and the critical minerals scandium and aluminum (in the forms of salts or oxide products). We constructed and operated a sub-scale (0.5 kg/day) micropilot facility to demonstrate the key physical and chemical processing operations, predict yields, and troubleshoot process bottlenecks. The project team then designed, constructed and operated two decoupled pilot plant operations: (1) an operational pilot plant for physical separation processes with a capacity of 0.4 metric tons per day (tpd) where we optimized processes to produce selected ash fractions as the feedstock for chemical processing as well as valuable byproducts such as cement substitute, cenospheres, magnetic ash and secondary fuel carbon, and (2) an operational pilot plant for chemical processing with a capacity of 0.5 tpd that developed optimized processes for the production of: (a) REO concentrates, (b) critical minerals recovery (Sc, Al), and (c) beneficiated ash as valuable byproduct suitable for cement applications.

01 COAL, LIGNITE, AND PEAT↗