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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Chloride Molten Salt Electrolysis Enables Integrated and Energy-Efficient Process for NdFeB Magnet Fabrication

Rare-earth elements (REEs) have been identified by NATO, the USDOE, and USGS as critical materials, i.e., materials which have significant demand yet pose supply-chain risks. Many of the existing processes for separations, metallization, and final parts production used across the REE supply chain involve energy intensive steps. For example, neodymium (Nd or NdPr) is produced using oxyfluoride electrolysis of Nd 2 O 3 , which requires hydrofluoric acid to produce a key electrolyte component (NdF 3 ) and generates undesired perfluorocarbon (PFC) gases. Such challenges make securing a resilient supply chain for NdFeB permanent magnets in countries like the United States prohibitively difficult. Here, we propose a chloride-based MSE process that circumvents these challenges, delivering high-purity NdPr from a (NdPr)Cl 3 feed from upstream REE separations. This eliminates environmentally-damaging steps of oxalate or carbonate precipitation and calcination, and enables superior production rates due to greater solubility of (NdPr)Cl 3 in chloride melts compared to Nd 2 O 3 . We show that CMSE generates high-purity NdPr (99.4 wt.%) while being energy-efficient (~ 6 kWh/kg-Nd). NdPr from CMSE was used to fabricate a NdFeB magnet with an excellent maximum energy product (> 40 MGOe), comparable to commercially available NdFeB magnets. This establishes CMSE as a leading approach for integrated, energy-efficient NdFeB magnet production.

Materials science↗
DOE OSTI2024

Seawater alkalization via an energy-efficient electrochemical process for CO 2 capture

Electrochemical pH-swing strategies offer a promising avenue for cost-effective and energy-efficient carbon dioxide (CO 2 ) capture, surpassing the traditional thermally activated processes and humidity-sensitive techniques. The concept of elevating seawater’s alkalinity for scalable CO 2 capture without introducing additional chemical as reactant is particularly intriguing due to its minimal environmental impact. However, current commercial plants like chlor-alkali process or water electrolysis demand high thermodynamic voltages of 2.2 V and 1.23 V, respectively, for the production of sodium hydroxide (NaOH) from seawater. These high voltages are attributed to the asymmetric electrochemical reactions, where two completely different reactions take place at the anode and cathode. Here, we developed a symmetric electrochemical system for seawater alkalization based on a highly reversible and identical reaction taking place at the anode and cathode. We utilize hydrogen evolution reaction at the cathode, where the generated hydrogen is looped to the anode for hydrogen oxidation reaction. Theoretical calculations indicate an impressively low energy requirement ranging from 0.07 to 0.53 kWh/kg NaOH for established pH differences of 1.7 to 13.4. Experimentally, we achieved the alkalization with an energy consumption of 0.63 kWh/kg NaOH, which is only 38% of the theoretical energy requirements of the chlor-alkali process (1.64 kWh/kg NaOH). Further tests demonstrated the system’s potential of enduring high current densities (~20 mA/cm 2 ) and operating stability over an extended period (>110 h), showing its potential for future applications. Notably, the CO 2 adsorption tests performed with alkalized seawater exhibited remarkably improved CO 2 capture dictated by the production of hydroxide compared to the pristine seawater.

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

Enhancing Nitrogen Activation in Electrochemical Reduction: The Role of Rare Earth Oxide Surface Configurations

The pursuit of sustainable ammonia synthesis has prompted the exploration of ambient electrochemical nitrogen reduction reaction (e-NRR) as an alternative to the energy-intensive Haber-Bosch process. Here, this study conducted a theoretical investigation into the use of rare earth oxide materials, specifically dysprosium oxide (Dy 2 O 3 ), as potential electrocatalysts for NRR. Utilizing spin-polarized density functional theory calculations, we explored the interaction between Dy 2 O 3 surfaces and nitrogen (N 2 ) molecules, examining the capability of Dy 2 O 3 to adsorb and activate N 2 under ambient conditions. The results indicate that Dy 2 O 3 surfaces exhibit diverse configurations and bonding environments, providing a variety of reactive sites that display different behaviors in N 2 adsorption and activation. The distinctive electronic structure and surface chemistry of a particular Dy 2 O 3 surface configuration were found to significantly enhance the activation of N 2 by promoting charge transfer, which facilitates the NRR process. This research provides deep insights into the mechanistic pathways of N 2 reduction over Dy 2 O 3 , highlighting the surface properties as pivotal in catalysis. These theoretical insights serve as a foundation for the development of novel rare earth-based electrocatalytic materials for efficient ambient e-NRR, potentially transforming ammonia production into a greener and more energy-efficient process.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Supramolecular Assembly of One-Dimensional Coordination Polymers for Efficient Separation of Xenon and Krypton

Efficient separation and purification of xenon (Xe) from krypton (Kr) represent an industrially crucial but challenging process. While the adsorption-based separation of these atomic gases represents an energy-efficient process, achieving highly selective adsorbents remains a difficult task. Here, we demonstrate a supramolecular assembly of coordination polymers, termed as M(II)-dhbq (M = Mg, Mn, Co, and Zn; dhbq = 2,5-dihydroxy-1,4-benzoquinone), with high-density open metal sites (5.3 nm –3 ) and optimal pore size (5.5 Å), which are able to selectively capture Xe among other chemically inert gases including Kr, Ar, N 2 , and O 2 . Among M(II)-dhbq materials, Mn-dhbq exhibits the highest Xe uptake capacity of 3.1 mmol/g and a Xe/Kr selectivity of 11.2 at 298 K and 1.0 bar, outperforming many state-of-the-art adsorbents reported so far. Remarkably, the adsorption selectivity of Mn-dhbq for Xe/O 2 , Xe/N 2 , and Xe/Ar at ambient conditions reaches as high as 70.0, 139.3, and 64.0, respectively. Direct breakthrough experiments further confirm that all M(II)-dhbq materials can efficiently discriminate Xe atoms from other inert gases. Furthermore, it is revealed from the density functional theory calculations that the strong affinity between Xe and the coordination polymer is mainly attributed to the polarization by open metal sites.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Solventless, Ambient-Pressure Production of Bio-Based Lactones Over Earth-Abundant, Mixed Metal Oxide Catalysts for Circular Polyesters

Transitioning to a circular plastics economy will require use of renewable feedstocks, energy-efficient processes, and closed-loop recyclable polymers, such as polyesters. A key challenge lies in sustainably sourcing monomers used to make recyclable polyesters. This work presents a catalytic platform utilizing earth-abundant Cu(x)Ca(1-x)O mixed metal oxides for the oxidative dehydrocyclization of bio-based diols to lactones, which are advantaged for energy-efficient ring-opening polymerization. Operating below 200 degrees C, at ambient pressure, and without solvent, the process uses air as the sole oxidant, achieving high yields of lactones across a broad substrate scope of C4-8 diols in the liquid phase. The oxidative dehydrocyclization reaction is thermodynamically downhill due to water formation and energy-efficient compared to incumbent, non-redox pathways utilized in fossil carbon-based industrial processes for lactone production. Mechanistic studies reveal facile redox cycling of Cu2+-O(Ca2+)-Cu2+ interfacial sites unique to the developed catalyst. Techno-economic analysis and life cycle assessment estimate 40% lower energy demand and 15% lower GHG intensity per mass of butyrolactone produced compared to the fossil carbon-based route. Liquid-phase oxidative dehydrocyclization offers a promising approach for scalable lactone production from renewable, bio-based diols to enable circular polyesters.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Meshfree Process Modeling and Experimental Validation of Friction Riveting of Aluminum 5052 to Aluminum 6061

Friction riveting (Fric-riveting) is an innovative, fast, and energy-efficient process for spot-joining metal-metal structures. Although fric-riveting has been studied experimentally in recent years, its process modeling is rarely found in the literature primarily because of the associated large material deformation, extreme thermomechanical conditions, and complex contact conditions. In this work, a mesh-free smoothed particle hydrodynamics (SPH) framework that can well handle the abovementioned numerical challenges is used to simulate the fric-riveting of AA5052 to AA6061. Predicted material morphology, multi-point temperatures, and plunge force are thoroughly validated by experimental observations. The material severe plastic deformation zone in the vicinity of the riveting zone is further predicted by the SPH model, which indicates the material mixing and potential grain refinement zone. Based on the validated model, process parameters can be optimized which yields better performance over the baseline case.

Friction riveting (fric-riveting), Smoothed partic↗
NASA NTRS2014

Novel Catalysts and Processing Technologies for Production of Aerospace Fuels from Non-Petroleum Raw Materials

Transportation fuels production (including aerospace propellants) from non-traditional sources (gases, waste materials, and biomass) has been an active area of research and development for decades. Reducing terrestrial waste streams simultaneous with energy conversion, plentiful biomass, new low-cost methane sources, and/or extra-terrestrial resource harvesting and utilization present significant technological and business opportunities being realized by a new generation of visionary entrepreneurs. We examine several new approaches to catalyst fabrication and new processing technologies to enable utilization of these non-traditional raw materials. Two basic processing architectures are considered: a single-stage pyrolysis approach that seeks to basically re-cycle hydrocarbons with minimal net chemistry or a two-step paradigm that involves production of supply or synthesis gas (mainly carbon oxides and hydrogen) followed by production of fuel(s) via Sabatier or methanation reactions and/or Fischer-Tropsch synthesis. Optimizing the fraction of product stream relevant to targeted aerospace (and other transportation) fuels via modeling, catalyst fabrication and novel reactor design are described. Energy utilization is a concern for production of fuels for either terrestrial or space operations; renewable sources based on solar energy and/or energy efficient processes may be mission enabling. Another important issue is minimizing impurities in the product stream(s), especially those potentially posing risks to personnel or operations through (catalyst) poisoning or (equipment) damage. Technologies being developed to remove (and/or recycle) heteroatom impurities are briefly discussed as well as the development of chemically robust catalysts whose activity are not diminished during operation. The potential impacts on future missions by such new approaches as well as balance of system issues are addressed.

propellants↗
NASA NTRS2014

Novel Catalysts and Processing Technologies for Production of Aerospace Fuels from Non-Petroleum Raw Materials

Transportation fuels production (including aerospace propellants) from non-traditional sources (gases, waste materials, and biomass) has been an active area of research and development for decades. Reducing terrestrial waste streams simultaneous with energy conversion, plentiful biomass, new low-cost methane sources, and/or extra-terrestrial resource harvesting and utilization present significant technological and business opportunities being realized by a new generation of visionary entrepreneurs. We examine several new approaches to catalyst fabrication and new processing technologies to enable utilization of these nontraditional raw materials. Two basic processing architectures are considered: a single-stage pyrolysis approach that seeks to basically re-cycle hydrocarbons with minimal net chemistry or a two-step paradigm that involves production of supply or synthesis gas (mainly carbon oxides and H2) followed by production of fuel(s) via Sabatier or methanation reactions and/or Fischer-Tröpsch synthesis. Optimizing the fraction of product stream relevant to targeted aerospace (and other transportation) fuels via modeling, catalyst fabrication and novel reactor design are described. Energy utilization is a concern for production of fuels for either terrestrial or space operations; renewable sources based on solar energy and/or energy efficient processes may be mission enabling. Another important issue is minimizing impurities in the product stream(s), especially those potentially posing risks to personnel or operations through (catalyst) poisoning or (equipment) damage. Technologies being developed to remove (and/or recycle) heteroatom impurities are briefly discussed as well as the development of chemically robust catalysts whose activities are not diminished during operation. The potential impacts on future missions by such new approaches as well as balance of system issues are addressed.

space processing↗
DOE OSTI2023

Overcoming the Entropy Penalty of Direct Air Capture for Efficient Gigatonne Removal of Carbon Dioxide

Atmospheric carbon poses an existential threat to civilization via global climate change. Hundreds of gigatonnes of carbon dioxide must be removed from earth’s atmosphere in the next three decades, necessitating a low-cost, energy-efficient process to extract low concentrations of carbon dioxide for conversion to a stable material permanently stored for thousands of years. In this work, the challenge of removing gigatonnes of CO 2 is described via the scale of effort and the thermodynamics of collecting and reducing this diffuse chemical, the accumulation of which imparts a substantial entropy penalty on any atmospheric carbon capture process. The methods of CO 2 reduction combined with upstream direct air capture (DAC) including absorption, membrane separation, and adsorption are compared with biomass torrefaction and permanent burial (BTB). A Monte Carlo model assesses the mass, energy, and economics of the full process of biomass torrefaction from biomass collection and transport to stable carbon burial to determine that 95% of scenarios could remove carbon for less than $200 per CO 2 -tonne-equivalent. Torrefied carbon is further discussed for its long-term stability and availability at the scale required to substantially mitigate the threat of climate change.

biomass↗
DOE OSTI2024

The Role of Fuels in Transforming Energy End-Use in Buildings and Industrial Processes

This book examines what role fuels have in the transformation of end-use in buildings and industrial processes. Energy efficient technologies are necessary to lower the carbon footprint for a transition towards clean energy in a sustainable manner. Efficient utilization of primary energy resources including renewables to support the current and future energy needs while targeting grid resiliency, energy and environmental security, at an affordable cost is of significant value. Analysis of configurations consisting of heat pumps, fuel driven thermal providers and power systems is presented. Sensitivity of electrical grid's carbon intensity towards carbon footprint in comparison with fuel driven technologies is necessary to recognize the true value proposition of currently available energy solutions for different end consumers. Similarly, the role of low carbon, zero carbon, and carbon negative fuels such as power to gas, power to liquid, hydrogen, biogas, etc. in conjunction with polygeneration technologies are discussed. Transformation of the primary energy resources from conventional fossil fuels to renewable fuels or electricity will have a significant impact on the overall carbon footprint of various end use sectors, including buildings. Hence, this book also examines two different scenarios focused on sensitivity of the pace of decarbonization of electrical grid and fuel supply on operational energy related carbon emissions.

Cheekatamarla, Praveen↗
DOE OSTI2023

Microwave-assisted depolymerization of PET over heterogeneous catalysts

The accumulation of plastic waste in the environment is rising and poses a significant environmental and health threat. Polyethylene terephthalate (PET), used mainly in single-use plastic bottles, accounts for a substantial fraction of this waste. The currently employed recycling strategies are inadequate to deal with the global plastic waste problem. PET glycolysis is a promising depolymerization method but has mainly been conducted using homogeneous catalysts; developing active and sustainable catalysts, and more energy-efficient processes remain challenges. Here, in this work, we implement microwave heating in PET glycolysis and identify ZnO as an excellent heterogeneous catalyst. We demonstrate the influence of ZnO's particle size and facet and hydrogen bonding on its activity. Finally, we demonstrate excellent performance for real-world post-consumer PET waste deconstruction with rapid depolymerization into bis(2-hydroxyethyl) terephthalate (BHET), achieving > 95% yields in less than 10 min. Cradle-to-gate life cycle assessment also indicates that BHET produced by ZnO-catalyzed glycolysis has lower global warming potential than the petrochemical-based production and homogeneously-catalyzed glycolysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Modeling and analysis of synthetic liquid fuel production from CO 2 and nuclear energy using methanol-to-diesel process

Electrofuels (e-fuels) are synthetic fuels produced from carbon dioxide (CO 2 ) and electricity for blending with or replacing petroleum fuels. Nuclear energy is an attractive energy feedstock for e-fuel production because of its low environmental footprint and its ability to provide steady heat and power essential for e-fuels production. We modeled and evaluated the cost and environmental footprint of e-fuels production in the distillate range for three nuclear power scales, 100, 500, and 1000 MWe, through methanol and olefins intermediates leveraging commercial or high technology readiness level (TRL) processes. Compared to the commonly studied e-fuels from Fischer Tropsch process that has a distillate yield of <70% with the rest being low value naphtha, the proposed process via methanol intermediate increases the product selectivity with distillate yield of 96% and only 4% naphtha. The modeled process has a carbon conversion ratio of 98%, and a process energy efficiency of 56% relative to the total equivalent nuclear electricity input. The e-fuel plant economics and GHG emissions were estimated by considering CO 2 collected from ethanol plants adjacent to nuclear power plants. The estimated minimum fuel selling prices (MFSP) of e-fuel is in the range of $5.7-$9.1/gal depending on e-fuel plant scale, electricity cost, and CO 2 transportation distance. The corresponding e-fuels life cycle GHG emissions is estimated in the range of 5-6 gCO 2 e/MJ of liquid fuel using the R&D Greenhouse gases, Regulated Emissions, and Energy use in Technologies (R&D GREET) model.

10 SYNTHETIC FUELS↗
DOE OSTI2026

Effects of a Small Fraction of Norbornene Comonomers on the Frontal Ring Opening Metathesis Polymerization of Dicyclopentadiene and Dihydrofuran

Frontal ring-opening metathesis polymerization (FROMP) is an energy-efficient process for the construction of high performance polydicyclopentadiene (pDCPD) thermosets. A small fraction of norbornene (NBE) comonomer is often added to DCPD to liquify the resin, but their effects on the resin chemistry and frontal curing characteristics are not quantitatively understood, especially for recently developed deconstructable DCPD resins containing cleavable comonomers. 2,3-Dihydrofuran (DHF) is a commercially available, effective cleavable comonomer for ROMP of norbornenes, and it has been recently demonstrated to enable full deconstruction of pDCPD thermosets at 5% loading. Herein, we investigated deconstructable DCPD resins containing 5% of different (oxa)NBE derivatives and 5% DHF. We report the effects of such a small fraction of (oxa)NBE comonomers on the resin pot life (room temperature resin reactivity), front curing characteristics, degree of cure, crosslinking density, comonomer distribution, and deconstruction kinetics of the resulting pDCPD thermosets. These effects can be correlated to the metathesis reactivity of these comonomers. As a result, this study provides quantitative understanding that will guide the future development of new deconstructable FROMP resins with desired construction and deconstruction characteristics.

Luo, Xuyi [Stanford University, CA (United States)↗
DOE OSTI2026

Accelerating catalytic advancements through the precision of high-throughput experiments & calculations

The growing demand for energy-efficient processes to support a sustainable future drives the need for research to rapidly explore chemical and material space through accelerated catalyst discovery initiatives. Recent breakthroughs in high-throughput experimental and computational methods are transforming the catalysis field, surpassing traditional approaches to manipulating variables in catalytic processes. Key advancements in innovation include the integration of machine learning for efficient catalyst screening, high-throughput experimentation, data-driven methodologies employing comprehensive databases, and in situ and in operando techniques for realistic observations. This progress has undoubtedly been intertwined with a collaborative framework across disciplines, reshaping catalyst discovery methods in both industry and academia. This Opinion article presents a multifaceted perspective from coauthors with expertise spanning various stages of the Technology Readiness Level spectrum, highlighting both opportunities and persistent challenges in integrating computational and experimental approaches in catalysis. These challenges span from obtaining high-quality experimental data, scaling simulations to industrially relevant materials and process conditions to navigating the complexity and predictive accuracy of computational models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Development of in-situ polymerized intrinsically conductive resin and low-cost carbon pigments offering high conductivity for sensing, EMI shielding and lighting protection

Electrically conductive composites are emerging across diverse industries such as electronic, automotive, aerospace, advanced air mobility, biomedical, infrastructure, defense and security offering static charge dissipation, electromagnetic interference shielding, lighting protection, sensing, dicing, corrosion monitoring, etc. Conductivity enhanced composites provide several advantages compared to conventional metals including weight reduction, corrosion resistance, energy efficient processability, tunable properties and multifunctionality. Polymers are typically insulating in nature and require conducting filler for electron transport. However, dispersion and polymer-filler interphases are critical and often disrupt conducting pathways. Besides, conductive fillers such as graphene, carbon nanotube, MXene, silver nanowire, etc. are expensive, limiting their wide adoption in composite industry. On the other hand, a limited number of intrinsically conductive polymers are available among which polyaniline (PANI) has been widely studied due to its high conductivity, thermal and chemical stability. However, PANI is difficult to process and exhibits weak mechanical properties. In brief, there is a significant demand for electrically conductive polymer formulation with cost-effective conducting fillers that offer processability in scale to expand the market of conductivity enhanced materials.

Kumar, Vipin [Oak Ridge National Laboratory (ORNL)↗
NASA NTRS1979

Penrose photoproduction processes - A high efficiency energy mechanism for active galactic nuclei and quasars

Recent observations of NGC 4151 and 3C273 suggest that the nuclei of active galaxies have very high gamma ray efficiencies. In addition, optical studies of M87 have indicated the possibility of a massive black hole in its central region. The above facts have led to study of a new physical mechanism, Penrose Photoproduction Processes, in the ergospheres of massive Kerr black holes, as a way to account for the fluctuating, high efficiency, energy production associated with active galaxies and quasars. Observational signatures, associated with this mechanism, occur in the form of approximately 2 MeV and approximately 2 GeV gamma ray cutoffs which might be corroborated by the observed spectra of NGC 4151 and 3C273, respectively.

Leiter, D.↗
DOE OSTI2024

Energy Efficiency Improvement Approaches in Ice Related Processes

Application and development of energy efficient techniques to separate ice from different surfaces and substrates is of significant value in the context of building equipment performance. A hybrid approach to help dislocate the ice layer using advanced materials and ultrasonic vibration to lower ice adhesion strength was investigated. Application of advanced polymer materials in lowering the adhesion strength of ice was confirmed where the measured strength was lowered by 50-70% depending on the material and geometry. Additionally, utilization of induced ultrasonic vibration in further lowering the ice harvesting energy was confirmed on multiple materials and geometries. Durability of the coating enhancement was also confirmed in a thermal cycling test under realistic operating conditions. Integration of these technical approaches was implemented and validated in commercial ice makers showing energy consumption reduction by ~ 15% to 30% depending on the technical enhancement.

Cheekatamarla, Praveen↗