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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
NASA NTRS1993

Mapping robust parallel multigrid algorithms to scalable memory architectures

The convergence rate of standard multigrid algorithms degenerates on problems with stretched grids or anisotropic operators. The usual cure for this is the use of line or plane relaxation. However, multigrid algorithms based on line and plane relaxation have limited and awkward parallelism and are quite difficult to map effectively to highly parallel architectures. Newer multigrid algorithms that overcome anisotropy through the use of multiple coarse grids rather than relaxation are better suited to massively parallel architectures because they require only simple point-relaxation smoothers. In this paper, we look at the parallel implementation of a V-cycle multiple semicoarsened grid (MSG) algorithm on distributed-memory architectures such as the Intel iPSC/860 and Paragon computers. The MSG algorithms provide two levels of parallelism: parallelism within the relaxation or interpolation on each grid and across the grids on each multigrid level. Both levels of parallelism must be exploited to map these algorithms effectively to parallel architectures. This paper describes a mapping of an MSG algorithm to distributed-memory architectures that demonstrates how both levels of parallelism can be exploited. The result is a robust and effective multigrid algorithm for distributed-memory machines.

Overman, Andrea↗
DOE OSTI2022

Methane Pyrolysis for CO2-free H2 and Carbon Nanomaterials (Abstract)

We propose to continue to develop a new process for producing CO2-free hydrogen (H2) from inexpensive and domestically-abundant natural gas (NG), while simultaneously reducing H2’s net production cost to $1.0/kg through the sale of valuable crystalline solid carbon co-product. Producing clean hydrogen at this price is a DOE Hydrogen Energy Earthshot goal. Cost effective production of clean H2 is also of commercial relevance to project partners Southern California Gas Company (SoCalGas) and startup company C4-MCP, who aim to further develop, demonstrate at scale, and ultimately deploy the new process technology developed on this project in order to meet regulatory demands in the State of California. In the current project we have focused on i) understanding the catalyst science for thermocatalytic decomposition of methane (TCD), which resulted in the development of a patent pending bimetallic catalyst offering favorable activity, stability, and selectivity under industrially relevant process conditions, ii) developing a novel, patent pending process to enable the separation of produced carbon and catalyst, and re-synthesis of the catalyst using recycled materials, iii) performing limited characterization of the produced carbon materials, and iv) performing detailed process modeling in order to perform techno economic assessment. The additional scope proposed here will accelerate the commercial deployment of TCD for CO2-free H2 and valuable solid carbon nanotubes (CNT) co-product, by i) scaling up the production of CNT co-product using a scalable, fluidized bed reactor (25 g catalyst scale versus the 1 g catalyst scale demonstrated to-date), ii) producing at least 40 g of CNT product, produced via multiple cycles of TCD, carbon-catalyst separation, and catalyst re-synthesis, to enable the production of sufficient quantities of solid carbon so as to explore its market potential, iii) understanding the quality of the co-product CNTs, produced at larger scale, through advanced characterization, and iv) beginning to explore multiple promising high volume carbon product applications (thermoplastics, automotive composites, battery, and cement reinforcement applications).

08 HYDROGEN↗
DOE OSTI2024

Methane Pyrolysis for CO2-free H2 and Carbon Nanomaterials - CRADA 576 (Final Report)

In this CRADA project we continued to develop the Pacific Northwest National Laboratory (PNNL) patent-pending Regenerable Catalytic Pyrolysis (ReCaP) process technology for producing CO 2 -free hydrogen (H 2 ) from inexpensive and domestically-abundant natural gas (NG), while simultaneously reducing H 2 ’s net production cost to $\$$1.0/kg through the sale of valuable crystalline solid carbon co-product. Producing clean hydrogen at this price is a DOE Hydrogen Energy Earthshot goal. This effort builds on our prior catalyst and processing advances made thermocatalytic decomposition of methane (TCD). The additional scope performed here accelerated the commercial deployment of TCD for CO 2 -free H 2 and valuable solid carbon nanotubes (CNT) co-product, by i) scaling up the production of CNT co-product using a fluidized bed reactor (25 g catalyst scale versus the 1 g catalyst scale demonstrated prior), ii) producing approximately 1 kg of CNT byproduct, produced via multiple cycles of TCD, carbon-catalyst separation, and catalyst re-synthesis, to enable the production of sufficient quantities of solid carbon so as to explore its market potential, iii) understanding the quality of the co-product CNTs, produced at larger scale, using advanced characterization, and iv) beginning to explore multiple promising high volume carbon product applications (e.g., aluminum and polymer composites, steel additive, and cement reinforcement applications). We are in discussions with Department of Energy and potential commercial partners to continue funding of this effort with the goal to facilitate eventual commercial deployment.

08 HYDROGEN↗
NASA NTRSDate not supplied

Experimental Results of a Rapidly Cycled Temperature Swing Adsorption Pump in a Terrestrial Environment

To improve the increasing CO 2 levels on Earth, technology for carbon capture and utilization must be efficient and cost effective. One major contributor of atmospheric CO 2 is post-combustion flue gas, which can contain up to 20% CO 2 . Scrubbing this CO 2 could reduce the environmental impact of this common industrial process. In off-Earth environments, capturing and utilizing CO 2 from space resources is useful for crewed spaceflight life support. Specifically, the Bosch process, which produces water and carbon powder by reacting CO 2 and hydrogen, is a possible in-situ resource utilization (ISRU) architecture for the Moon and Mars. The Rapid Cycle Temperature Swing Adsorption (RC-TSA) pump is an innovative technology designed to capture CO 2 efficiently. The RC-TSA leverages a stacked plate geometry to cycle multiple zeolite-coated beds. The thin layers allow for rapid heat transfer of the zeolite coating, which improves performance over previously tested pump designs. The design is favorable for scalability and manufacturability, which are forward work. Initial testing of the sorption pump using a simulated flue gas environment shows favorable breakthrough capacities and reduced cycle times. Results show promise for on- and off-Earth applications, such as a Martian surface and crewed spaceflight environments.

adsorption pump↗
DOE OSTI2023

Assessing the National Off-Cycle Benefits of 2-Layer HVAC Technology Using Dynamometer Testing and a National Simulation Framework

Some CO2-reducing technologies have real-world benefits not captured by regulatory testing methods. This paper documents a two-layer heating, ventilation, and air-conditioning (HVAC) system that facilitates faster engine warmup through strategic increased air recirculation. The performance of this technology was assessed on a 2020 Hyundai Sonata. Empirical performance of the technology was obtained through dynamometer tests at Argonne National Laboratory. Performance of the vehicle across multiple cycles and cell ambient temperatures with the two-layer technology active and inactive indicated fuel consumption reduction in nearly all cases. A thermally sensitive powertrain model, the National Renewable Energy Laboratory's FASTSim Hot, was calibrated and validated against vehicle testing data. The developed model included the engine, cabin, and HVAC system controls. Validation of component thermal models and engine efficiency ensured accurate thermal dynamics, fuel consumption, and two-layer benefit. The real-world benefit of the two-layer technology was calculated by simulating the validated powertrain model across a representative test matrix comparing performance with and without the two-layer system. Simulation across the test matrix revealed a real-world representative benefit of 0.0835%. Analysis of test matrix results at the regional level revealed the most benefit in cold climates and rural regions. Mean results across cycle length sensitivity simulations revealed a larger real-world benefit of 0.0872%. These benefit values can be considered a more accurate assessment of real-world technology performance. Future work is planned to explore the requisite number of drive cycles to ensure the full technology benefit is captured.

2-layer↗
DOE OSTI2025

Tandem CO 2 valorisation to polycarbonate vitrimer and ethylene carbonate

The need for renewably sourced polymers has intensified with the worsening of global challenges such as emissions and plastic pollution. Here, we report a CO 2 -based poly(cyclohexene carbonate) (PCHC) vitrimer cured with zinc stearate that directly addresses both issues. Enhanced zinc dispersion within the network enabled faster curing and reprocessing than possible with zinc acetate systems, while maintaining consistent T g and mechanical integrity across multiple cycles. The vitrimer undergoes rapid glycolysis in ethylene glycol, valorisation into ethylene carbonate with up to 97% yield without additional catalyst. When applied to carbon fibre-reinforced polymers (CFRPs), applying this strategy enabled the development of sustainable CO 2 -based CFRP that can undergo full resin valorisation and recovery of clean, damage-free fibres. Collectively, this tandem CO 2 valorisation strategy—from vitrimer synthesis to fibre-reinforced composites and subsequent chemical valorisation—establishes multiple recycling and valorisation pathways and provides a promising routte for carbon capture and utilization as well as material recycling.

36 MATERIALS SCIENCE↗
DOE OSTI2024

CMOS-Based Single-Cycle in-Memory XOR/XNOR

Big data applications are on the rise, and so is the number of data centers. The ever-increasing massive data pool needs to be periodically backed up in a secure environment. Moreover, a massive amount of securely backed-up data is required for training binary convolutional neural networks for image classification. XOR and XNOR operations are essential for large-scale data copy verification, encryption, and classification algorithms. The disproportionate speed of existing compute and memory units makes the von Neumann architecture inefficient to perform these Boolean operations. Compute-in-memory (CiM) has proved to be an optimum approach for such bulk computations. The existing CiM-based XOR/XNOR techniques either require multiple cycles for computing or add to the complexity of the fabrication process. Here, we propose a CMOS-based hardware topology for single-cycle in-memory XOR/XNOR operations. Our design provides at least 2× improvement in the latency compared with other existing CMOS-compatible solutions. We verify the proposed system through circuit/system-level simulations and evaluate its robustness using a 5000-point Monte Carlo variation analysis. This all-CMOS design paves the way for practical implementation of CiM XOR/XNOR at scaled technology nodes.

97 MATHEMATICS AND COMPUTING↗
NASA NTRSDate not supplied

Enhancing In-Flight Structural Health Monitoring of Vertical Lift Vehicles Operating in an Urban Environment

In-situ airframe sensors have long been considered a potential solution for structural health monitoring that could change the design, certification, operation and maintenance paradigms of flight vehicles. In this approach, large networks of sensors covering the entire, or most of, an airframe throughout its operational lifetime would support real-time decisions on airworthiness and obviate the need to overbuild components or perform multiple cycles of structural qualification testing and inspections. This concept would go beyond the current practice of placing select sensors in strategic locations or relying on such sensors only during airframe qualification flights and inspections. For vehicles in the emerging urban air mobility space, reducing weight associated with overbuilds and shortening down-time associated with inspections are critical for improving safety and affordability. In practice, the wide-scale use of in-situ sensors as primary assurance for structural health has not been demonstrated to be feasible or the best solution. A sensor integration testbed was developed as a platform to evaluate the potential of multiple sensor types to enable decision making on airworthiness. We report on the initial runs of this testbed with multiple sensors attached to a common test article. Metal foil strain gauges, eddy current, fiber optic, guided wave (acoustic emission and ultrasonic)and carbon nanotube roving sensors were affixed to the test article. Baseline as well as post damage initiation and fatiguing data are presented and discussed. Despite the relative simplicity of the test article, the interpretation of the as-captured test data was generally not conclusive or did not have wide enough coverage. This result emphasizes the challenges and current limitations both in testing and the practical broad application of embedded sensors as the determinative elements in critical decision making on wide-scale structural health.

Vertical Lift Vehicles↗
NASA NTRSDate not supplied

Enhancing In-Flight Structural Health Monitoring of Vertical Lift Vehicles Operating in an Urban Environment

In-situ airframe sensors have long been considered a potential solution for structural health monitoring that could change the design, certification, operation, and maintenance paradigms of flight vehicles. In this approach, large networks of sensors covering the entire, or most of, an airframe throughout its operational lifetime would support real-time decisions on airworthiness and obviate the need to overbuild components or perform multiple cycles of structural qualification testing and inspections. This concept would go beyond the current practice of placing select sensors in strategic locations or relying on such sensors only during airframe qualification flights and inspections. For vehicles in the emerging urban air mobility space, reducing weight associated with overbuilds and shortening down-time associated with inspections are critical for improving safety and affordability. In practice, the wide-scale use of in-situ sensors as primary assurance for structural health has not been demonstrated to be feasible or the best solution. A sensor integration testbed was developed as a platform to evaluate the potential of multiple sensor types to enable decision making on airworthiness. We report on the initial runs of this testbed with multiple sensors attached to a common test article. Metal foil strain gauges, eddy current, fiber optic, guided wave (acoustic emission and ultrasonic) and carbon nanotube roving sensors were affixed to the test article. Baseline as well as post damage initiation and fatiguing data are presented and discussed. Despite the relative simplicity of the test article, the interpretation of the as-captured test data was generally not conclusive or did not have wide enough coverage. This result emphasizes the challenges and current limitations both in testing and the practical broad application of embedded sensors as the determinative elements in critical decision making on wide-scale structural health.

Vertical Lift Vehicles↗
DOE OSTI2025

Reversible Modification of Rashba States in Topological Insulators at Room Temperature by Edge Functionalization

Quantum materials with novel spin textures from strong spin-orbit coupling (SOC) are essential components for a wide array of proposed spintronic devices. Topological insulators have a necessary strong SOC that imposes a unique spin texture on topological states and Rashba states that arise on the boundary, but there is no established methodology to control the spin texture reversibly. Here, it is demonstrated that functionalizing Bi 2 Se 3 films by altering the step-edge termination directly changes the strength of SOC and thereby modifies the Rashba strength of 1D edge states. Scanning tunneling microscopy/spectroscopy shows that these Rashba edge states arise and subsequently vanish through the Se functionalization and reduction process of the step edges. The observations are corroborated by density functional theory calculations, which show that a subtle chemical change of edge termination fundamentally alters the underlying electronic structure. Importantly, fully reversible and repeatable switching of Rashba edge states across multiple cycles at room temperature is experimentally demonstrated. The results imply Se functionalization as a practical method to control SOC and spin texture of quantum states in topological insulators.

Rashba edge states↗
DOE OSTI2024

Magnetic nanoparticle‐induced sorbent regeneration for direct air capture

Direct air capture (DAC) is a promising technology for decarbonization through the removal of CO 2 from the atmosphere. In many DAC processes, the regeneration energy used to restore the capture capacity of sorbents accounts for a significant fraction of the energy required by the whole process. Here we report an effective and scalable sorbent regeneration method for liquid DAC solvents based on magnetic nanoparticles (MNPs) heating with AC magnetic fields. MNPs can be directly heated to provide uniform and rapid volumetric heating, as we demonstrate by promoting the release of captured CO 2 from an aqueous solution of potassium sarcosinate. Our results showed that 90% of the solvent can be regenerated within 7.5 min of heating through proposed technique. The MNPs and solvent are found to be stable during the regeneration process and the MNPs showed long-term stability in the CO 2 -saturated solvent. Cyclic experiments showed that the nanoparticles can be reused for multiple cycles without performance deterioration. The process is operated in a noncontact mode through electromagnetic waves, making it an adoptable approach for existing carbon capture systems. The MNPs heating provides an effective regeneration strategy for liquid solvents used in carbon capture processes, in particular for DAC.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Strategies for regeneration of Pt-alloy catalysts supported on silica for propane dehydrogenation

Catalyst stability, resistance to deactivation, and regeneration remain a challenge for high temperature reaction processes. For Pt alloys used in propane dehydrogenation (PDH), the primary pathways of catalyst deactivation include coke formation and metal nanoparticle sintering over time. Recent work shows that silica-supported catalysts provide excellent selectivity for this reaction, but the regenerability of silica-supported catalysts has not been established. In this work, we study a series of Pt alloys, including PtMn, PtZn, and PtSn, for the PDH reaction at 550 °C and 600 °C, and we subject the catalysts to regeneration over multiple cycles. While oxidation in air restores the reactivity completely with minimal catalyst sintering, it is surprising to find that these catalysts can also be regenerated in pure hydrogen. Here we explore the types of coke formed on these catalysts using in situ temperature programmed oxidation (TPO). Two types of coke are found: one on the metallic NP surface, and a second on the silica support. Our work shows that treatment in hydrogen causes redistribution of the coke between the metal and support, which can restore most catalytic activity lost during a reaction run. Finally, periodic introduction of H 2 during a reaction cycle may constitute an unexplored strategy for extending the lifetime of PDH catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Scaled-up fabrication of durable and porous adsorbent-coated minichannels on aluminum for CO 2 separation

A method was developed to fabricate zeolite 13X adsorbent-coated minichannels on aluminum for CO₂ adsorption applications in this study. It emphasizes the innovative use of aluminum as a substrate, which offers airtight assembly, paving the way for highly efficient adsorption systems. An optimized coating process was developed using a slurry of Zeolite 13X, yeast, sugar, and xanthan gum, resulting in durable and highly porous layers that enhance CO₂ capture performance. A PETG peeler was designed to remove the top layer of the yeast-engineered adsorbent coatings, revealing a super porous and foamy structure. The teeth of the peeler were designed and fabricated for high repeatability and rapid prototyping. Breakthrough experiments were conducted on the scaled-up adsorbent bed using gas mixtures of 80% CO₂, 20% N₂, and 20% CO₂, 80% N₂ to represent different industrial scenarios. The performance of the bed was evaluated at flow rates of 160 and 190 cm³ min -1 using a Raman Laser Gas Analyzer (RLGA), demonstrating stable adsorption without degradation across multiple cycles. Computational modeling of integral transport phenomena under the chosen experimental conditions was pursued using gPROMS ProcessBuilder™, and the modeling results were compared with those from the tests for adsorption time, which resulted in an error margin of 2% to 9% for the breakthrough time, confirming the easy reproducibility of the design through modeling. This research advances CO₂ capture technologies by providing an effective and scalable solution for producing aluminum-based adsorbent coated beds, supporting industrial carbon capture efforts.

CO2 capture↗
DOE OSTI2021

Parametric analysis of anodic degradation mechanisms for fast charging lithium batteries with graphite anode

In this work, we report the impact of the temperature-driven synergistically-coupled anodic degradation mechanisms on the electrochemical performance of lithium batteries with graphite anode over multiple cycles. Temperature dependence of electrochemical reactions and damage mechanisms, such as solid electrolyte interface (SEI) growth, lithium plating/stripping, dead lithium storage/dissolution, and film cracking are incorporated into the degradation model. Results of a parametric analysis are presented, evaluating the effects of charging rates (1–6 C), operating temperatures (-15 – 45°C) and electrode design parameters, on the relative performance fade in the lithium-ion battery. Thermo-electrochemical process maps are developed to provide insights into the relationship between electrode performance and failure mechanisms. The simulation results predict a severe capacity loss due to lithium plating at low temperatures, which is further aggravated at high charging rates. A common strategy for mitigating lithium plating, through charging at high temperatures, also results in rapid capacity loss due to accelerated SEI formation. Simulation results are used to identify the combination of operating conditions and electrode design parameters that improve the electrochemical performance of the battery. These results demonstrate an opportunity to design safe and high-performance lithium-ion batteries, guided by anodic degradation models.

Battery design↗
DOE OSTI2022

Textured ceramic membranes for desilting and deoiling of produced water in the Permian Basin

Oil production in the Permian Basin gives rise to large volumes of produced water contaminated by silt, emulsified oil, and additives used for enhanced oil recovery. There is intense interest in the design of membrane modules as sustainable alternatives for produced water treatment to enable the reuse of produced water for agricultural applications, injection into aquifers, and redeployment in oil recovery. Here, we report a hierarchically textured cement-based membrane exhibiting orthogonal wettability, specifically, superhydrophilic and underwater superoleophobic characteristics. The in situ formation of ettringite needles accompanied by embedding of glass spheres imbues multiscale texturation to stainless-steel mesh membranes, enabling the separation of silt and oil from produced water at high flux rates (1600 L h -1 ∙m -2 , at ca. 2.7 bar). Oil concentration is reduced as low as 1 ppb with an overall separation efficiency of 99.7% in singlepass filtration. The membranes show outstanding mechanical resilience and retention of performance across multiple cycles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Encapsulation of hygroscopic liquids via polymer precipitation in non-aqueous emulsions

Here, encapsulation of ionic liquids (ILs) and phase change materials (PCMs) can overcome limitations associated with bulk materials, e.g., slow mass transfer rates, high viscosities, or susceptibility to external environment. Single step soft-templated encapsulation methods commonly use interfacial polymerization for shell formation, with a multifunctional monomer in the continuous phase and another in the discontinuous phase, and thus do not give pristine core material. We posit that polymer precipitation onto emulsion droplets in non-aqueous emulsions could produce a robust shell without contamination of the core, ideal for the encapsulation of water-sensitive or water-miscible materials. Solutions of commodity polymers were added to the continuous phase of non-aqueous Pickering emulsions stabilized by alkylated graphene oxide (GO) nanosheets such that the change in solubility of the polymer led to formation of robust shells and the production of capsules that could be isolated. We demonstrate that a polymer precipitation approach can produce capsules with pristine core of the IL 1-ethyl-3-methylimidazolium hexafluorophosphate [Emim][PF 6 ] or the salt hydrate PCM magnesium nitrate hexahydrate (MNH) and shell of nanosheets and polystyrene, poly(methyl methacrylate), or polyethylene. The capsules are approximately 80 wt% [Emim][PF 6 ] or >90 wt% MNH, and the core can undergo multiple cycles of solidification and melting without leakage or destruction. This novel, single-step methodology provides a distinct advantage to access capsules with pristine core composition and is amenable to different core and shell, paving the way for tailoring capsule composition for desired applications.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Computational modeling of coupled mechanical damage and electrochemistry in ternary oxide composite electrodes

Performance degradation of ternary layered oxide cathodes largely originates from their loss of structural integrity in cyclic usage. Mechanical damage, such as intergranular fracture of the active particles, is not only a mechanical cleavage process but also interferes with electrochemical kinetics such as infiltration of liquid electrolyte, surface corrosion of the constituent primary particles, and may eventually isolate the primary grains from the electron conducting network. Here, in this work, we develop a computational framework that integrates electrochemistry of a LiNi x Mn y Co 1−x−y O 2 (NMC) composite cathode with mechanical damage of the active particles. To fully examine the intricate chemomechanical behavior of the electrode, we evaluate the effects of the anisotropic material properties, the influence of mechanical potential on Li transport, and the concurrent intergranular fracture and electrolyte penetration along the grain boundaries upon multiple cycles. Electrolyte infiltration benefits capacity retention but aggravates further mechanical damage by corrosion. Structural failure mostly occurs in the first charging due to the anisotropic mechanical strain between the primary grains, while the resulting damage remains stable in the later few cycles. The results are consistent with experimental observations and the integration of electrochemistry and mechanical failure enables a step further understanding of the complex mechanism of battery degradation.

Battery degradation↗