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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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1,920 records · Page 53

Diffusion Quantum Monte Carlo Calculation of the Austenite and Martensite Phases of NiTi

NiTi is a promising material for smart and active technologies due to its exhibition of the shape memory effect, superelasticity, and biocompatibility. The shape memory effect is tied to the reversible transition between the austenite and martensite phases. A major research direction is to alloy NiTi with Zr, Hf, Pd, Pt, etc., in order to tune the martensitic transition temperature (MTT). Modeling the MTT from first principles is challenging because the lattice dynamics is complicated by anharmonicity and various low-energy structures. Using density functional theory, the energy difference between the austenite and martensite phases of NiTi varies by up to 100 meV/atom depending on the choice of density functional, which is of the same order of the energy difference itself. Consequently, free energy calculations with different functionals can result in estimates of the MTT that vary by several hundred K. Using diffusion quantum Monte Carlo, we calculated the energy difference between the B2 and B19' structures of NiTi to be 70.9 +- 2.5 meV/atom.

Kevin K Ly

Development of a One-Domain Volume-Averaged Navier–Stokes Solver

The interaction between a high-enthalpy flow and a thermal protection material is inherently multiscale and multiphysics. In conventional aerothermal analyses, the external flow and material response are generally modeled using separate computational domains coupled through boundary conditions at the material surface. Although this approach has supported many practical applications, it requires assumptions about the location and behavior of the interface and may become difficult to apply when material decomposition, internal reactions, and surface recession substantially alter the porous structure. This report presents the development of a one-domain formulation in which the free-fluid and porous-material regions are represented within a single computational domain. The formulation is based on the volume-averaged Navier–Stokes (VANS) equations, derived from the governing equations for reacting, compressible flow and condensed material. Volume averaging transfers the influence of the unresolved material microstructure to the macroscale equations through effective transport properties, interfacial source terms, and dispersion fluxes. Particular attention is given to regions in which porosity and permeability vary rapidly, including the diffuse transition between a porous material and the surrounding fluid. The resulting equations are implemented in the Porous-material Analysis Toolbox based on OpenFOAM (PATO). The report describes the pressure–velocity coupling strategy used by the solver, examines spatial filtering techniques for deriving effective properties, and evaluates the influence of a smoothly varying interface permeability. Numerical demonstrations include canonical porous-flow configurations, a flow-tube configuration representative of FiberForm® permeability experiments, and the oxidation of a porous carbon material. The purpose of this work is to establish a mathematical and computational foundation for a unified treatment of flow and thermal protection material response. The present formulation is intended to support the progressive inclusion of additional physical processes, including multicomponent transport, finite-rate gas–surface chemistry, pyrolysis, internal oxidation, and material recession. It also provides a framework for connecting pore-scale simulations and microstructural characterization with macroscale aerothermal-response calculations. This report is intended for researchers and engineers working in computational fluid dynamics, porous-media transport, material response, and thermal protection system modeling. It documents both the theoretical development and the initial numerical assessment of the one-domain approach, while identifying the closure of effective and dispersion terms as an important subject for continued investigation.

Ablation

Prototype Demonstration of an Integrated Solar Concentrator System and Carbothermal Reactor Using Solar Energy to Extract Oxygen from Regolith

The Carbothermal Reduction Demonstration (CaRD) project was an effort to develop a prototype system to demonstrate the extraction of oxygen from simulated lunar regolith using concentrated solar energy and a carbothermal reaction. The prototype consisted of a deployable solar concentrator capable of tracking the sun, carbothermal reactor, fluid system, gas analysis, and a solar concentrator control system consisting of avionics and software. These subsystems were developed by multiple NASA centers and a private industry partner, Sierra Space. The various teams worked together to define requirements and interfaces to successfully assemble the complex system and demonstrate an integrated solar carbothermal process. The solar concentrator developed at Glenn Research Center (GRC) was designed to be stowed for a launch environment then deployed on the lunar surface. It utilized a crossed dragone configuration of composite mirrors to direct horizontal sunlight onto a target 90° from the incoming sunlight. The key performance parameters for the solar concentrator were efficiency and power density. The carbothermal reactor was developed by Sierra Space through a separate project called the Carbothermal Oxygen Production Reactor (COPR) where it successfully demonstrated a fully automated process in a thermal vacuum environment. The fluid system needed for the carbothermal reaction was also developed by Sierra Space and successfully demonstrated in the same thermal vacuum test. The gas analysis system was developed at Kennedy Space Center (KSC) and was required to determine the amount of oxygen extracted during each test. The gas analysis system was based on the Mass Spectrometer Observing Lunar Operations (MSOLO) instrument. Avionics and software for the CaRD prototype were also developed at KSC and based on experience with MSOLO avionics and software. The control system was designed to stow, deploy, track the sun, and perform beam alignment of the concentrated light. The prototype subsystems were integrated and tested at Johnson Space Center’s (JSC) Energy Systems Test Area. A heliostat was used to direct sunlight toward the prototype in a way that is representative of the sunlight conditions at the south pole of the Moon. When concentrated sunlight was focused on simulated lunar regolith within the reactor, the gas analysis team confirmed the presence of carbon monoxide gas, which confirmed that a solar carbothermal reaction took place. The key performance parameter for the integrated prototype was grams of oxygen extracted per kilowatt hour of energy arriving at the concentrator primary mirror. The prototype design successfully demonstrated end-to-end capability and further steps to achieve a flight capable system have been defined. With lunar data, engineers would be able to design a scaled-up system capable of extracting oxygen from regolith at useful quantities for crew life support and rocket propellant. On the long term, this method of In-Situ Resource Utilization could be used to drastically reduce the cost and risk of a sustained human presence on the Moon by reducing the amount of oxygen that would have to be delivered.

Oxygen from Regolith

Large moiré superstructure of stacked incommensurate charge density waves

This article reports how two different charge density waves with slightly different wavevectors can exist in the same crystal and create moiré superstructure. Advances in heterostructure fabrication have opened new frontiers in moiré physics. Here we extend moiré engineering from artificially assembled thin flakes with mismatched lattice parameters to materials that host incommensurate orders, presenting a long-period moiré superlattice in a layered charge-density-wave compound, EuTe 4 . Using high-momentum-resolution X-ray diffraction, we found two coexisting incommensurate charge density waves with slightly mismatched in-plane wavevectors. The interaction between these two charge density waves leads to joint commensuration with the lattice and a moiré superstructure with a period of ~13.6 nm, offering key insights into the unique properties of EuTe4, such as the temperature-invariant incommensurate wavevectors and unconventional in-gap states. Owing to interlayer phase shifts, the moiré superstructure exhibits a clear thermal hysteresis, accounting for the large hysteresis in electrical resistivity and numerous metastable states. Our findings open new directions for moiré engineering based on incommensurate lattices and highlight the important role of interlayer ordering in stacked structures.

36 MATERIALS SCIENCE

Metrology and Standards Gaps and FY27 Work Focusing on Impact

This work focuses on the Heliostat Consortium (HelioCon) optical measurements and characterization, testing and modeling capabilities and infrastructure at NLR and Sandia supporting heliostat technology research, development, validation, and deployment in relevant industries. The development of standards in HelioCon requires a collective effort across the global heliostat community of industry, researchers, academia and other stakeholders.

14 SOLAR ENERGY

Advancements in nanocomposites for enhancing the performance of rechargeable lithium-ion batteries

The benefits of nanotechnology have been realized in almost every component of lithium-ion batteries. From electrodes to electrolytes, the incorporation of nanoparticles as dopants and coatings has shown marked improvements in cell cycle life, efficiency, mechanical and thermal stabilities, and lithium-ion transport. The improvements realized depends on several factors, from processing methods, nanoparticle type, structure, and concentration, to the material into which the nanoparticulate will be incorporated. Regardless of these many factors, nanotechnology has vastly improved the performance of secondary lithium-ion batteries. Here we will highlight some of the works that demonstrate these improvements and the quantitative benefits of nanotechnology.

25 ENERGY STORAGE

Dronebase Photovoltaic (PV) Fleet Imagery Quantitative Evaluation (CRADA CRD-22-22941 Final Report)

Combine the Dronebase aerial imagery with corresponding sites in the NLR Photovoltaic (PV) Fleets database. By combining these two data sources in an aggregated, anonymized fashion, we can perform the following analyses: quantifying power loss due to outages caused by stuck trackers, string outages, and shading/snow, validate site metadata, including tilt and azimuth, and correlate.

14 SOLAR ENERGY

Modeling for Battery Prognostics

For any battery-powered vehicles (be it unmanned aerial vehicles, small passenger aircraft, or assets in exoplanetary operations) to operate at maximum efficiency and reliability, it is critical to monitor battery health as well performance and to predict end of discharge (EOD) and end of useful life (EOL). To fulfil these needs, it is important to capture the battery's inherent characteristics as well as operational knowledge in the form of models that can be used by monitoring, diagnostic, and prognostic algorithms. Several battery modeling methodologies have been developed in last few years as the understanding of underlying electrochemical mechanics has been advancing. The models can generally be classified as empirical models, electrochemical engineering models, multi-physics models, and molecular/atomist. Empirical models are based on fitting certain functions to past experimental data, without making use of any physicochemical principles. Electrical circuit equivalent models are an example of such empirical models. Electrochemical engineering models are typically continuum models that include electrochemical kinetics and transport phenomena. Each model has its advantages and disadvantages. The former type of model has the advantage of being computationally efficient, but has limited accuracy and robustness, due to the approximations used in developed model, and as a result of such approximations, cannot represent aging well. The latter type of model has the advantage of being very accurate, but is often computationally inefficient, having to solve complex sets of partial differential equations, and thus not suited well for online prognostic applications. In addition both multi-physics and atomist models are computationally expensive hence are even less suited to online application An electrochemistry-based model of Li-ion batteries has been developed, that captures crucial electrochemical processes, captures effects of aging, is computationally efficient, and is of suitable accuracy for reliable EOD prediction in a variety of operational profiles. The model can be considered an electrochemical engineering model, but unlike most such models found in the literature, certain approximations are done that allow to retain computational efficiency for online implementation of the model. Although the focus here is on Li-ion batteries, the model is quite general and can be applied to different chemistries through a change of model parameter values. Progress on model development, providing model validation results and EOD prediction results is being presented.

Prognostics

Life cycle test results of a bipolar nickel hydrogen battery

A history is given of low Earth orbit (LEO) laboratory test data on a 6.5 ampere-hour bipolar nickel hydrogen battery designed and built at the NASA Lewis Research Center. The bipolar concept is a means of achieving the goal of producing an acceptable battery, of higher energy density, able to withstand the demands of low-Earth-orbit regimes. Over 4100 LEO cycles were established on a ten cell battery. It seems that any perturbation on normal cycling effects the cells performance. Explanations and theories of the battery's behavior are varied and widespread among those closely associated with it. Deep discharging does provide a reconditioning effect and further experimentation is planned in this area. The battery watt-hour efficiency is about 75 percent and the time averaged, discharge voltage is about 1.26 volts for all cells at both the C/4 and LEO rate. Since a significant portion of the electrode capacity has degraded, the LEO cycle discharges are approaching depths of 90 to 100 percent of the high rate capacity. Therefore, the low end-of-discharge voltages occur precipitously after the knee of the discharge curve and is more an indication of electrode capacity and is a lesser indicator of overall cell performance.

Cataldo, R. L.

R&D GREET Battery Carbon Footprint Calculator

The Battery Carbon Footprint (CF) Calculator was developed to help U.S. battery manufacturers meet the carbon footprint reporting requirements of the EU Battery Regulation (EU) 2023/1542. The calculator incorporates several major battery carbon footprint frameworks, including the Joint Research Centre's Rules for the Calculation of the Carbon Footprint of Electric Vehicle Batteries (CFB-EV), RECHARGE's Product Environmental Footprint Category Rules for High Specific Energy Rechargeable Batteries for Mobile Applications (PEFCR), the Catena-X Product Carbon Footprint Rulebook (CX-PCF Rules), Battery Pass's Battery Carbon Footprint: Rules for Calculating the Carbon Footprint of the "Distribution" and "End-of-Life and Recycling" Life Cycle Stages, the Global Battery Alliance's Greenhouse Gas Rulebook: Generic Rules, Version 2.1, and the Ministry of Economy, Trade and Industry's draft Carbon Footprint Calculation Method for Automotive Batteries. The tool pairs these frameworks with foreground data from Argonne's R&D GREET models and integrates user-supplied background data covering battery manufacturing and supply chain activities. By bringing multiple international methodologies together in a single platform, the calculator enables manufacturers to evaluate product carbon footprints, improve data consistency, and prepare for evolving regulatory compliance and global market reporting requirements.

Zhang, Jingyi

Spectroscopy in Nanoscopic Cavities: Models and Recent Experiments

The ability of nanophotonic cavities to confine and store light to nanoscale dimensions has important implications for enhancing molecular, excitonic, phononic, and plasmonic optical responses. Spectroscopic signatures of processes that are ordinarily exceedingly weak such as pure absorption and Raman scattering have been brought to the single-particle limit of detection, while new emergent polaritonic states of optical matter have been realized through coupling material and photonic cavity degrees of freedom across a wide range of experimentally accessible interaction strengths. In this review, we discuss both optical and electron beam spectroscopies of cavity-coupled material systems in weak, strong, and ultrastrong coupling regimes, providing a theoretical basis for understanding the physics inherent to each while highlighting recent experimental advances and exciting future directions.

Chemistry

Battery Cell Thermal Runaway Calorimeter

We currently have several methods for determining total energy output of an 18650 lithium ion cell. We do not, however, have a good method for determining the fraction of energy that dissipates via conduction through the cell can vs. the energy that is released in the form of ejecta. Knowledge of this fraction informs the design of our models, battery packs, and storage devices; (a) No longer need to assume cell stays together in modeling (b) Increase efficiency of TR mitigation (c) Shave off excess protection.

Darcy, Eric

Efficient electrocatalytic valorization of chlorinated organic water pollutant to ethylene

Electrochemistry can provide an efficient and sustainable way to treat environmental waters polluted by chlorinated organic compounds. However, the electrochemical valorization of 1,2-dichloroethane (DCA) is currently challenged by the lack of a catalyst that can selectively convert DCA in aqueous solutions into ethylene. Here, in this work, we report a catalyst comprising cobalt phthalocyanine molecules assembled on multiwalled carbon nanotubes that can electrochemically decompose aqueous DCA with high current and energy efficiencies. Ethylene is produced at high rates with unprecedented ~100% Faradaic efficiency across wide electrode potential and reactant concentration ranges. Kinetic studies and density functional theory calculations reveal that the rate-determining step is the first C–Cl bond breaking, which does not involve protons—a key mechanistic feature that enables cobalt phthalocyanine/carbon nanotube to efficiently catalyse DCA dechlorination and suppress the hydrogen evolution reaction. The nanotubular structure of the catalyst enables us to shape it into a flow-through electrified membrane, which we have used to demonstrate >95% DCA removal from simulated water samples with environmentally relevant DCA and electrolyte concentrations.

Choi, Chungseok [Yale Univ., New Haven, CT (United

NASA Weather Balloon Demonstration of an Additively Manufactured Antenna

Additive manufacturing (AM) enables low-cost, lightweight, and geometrically flexible antennas for rapid deployment missions. This work reports a left-hand circularly polarized magneto-electric dipole printed on a Radix dielectric with inkjet silver metallization and demonstrated as a process replacement for NASA weather-balloon RF hardware. By combining substrate fabrication and metallization, AM provides value for unrecoverable or field-replaceable systems. A physics based verification workflow links AM-specific material behavior to electromagnetic performance and yields bounded total, radiation, and mismatch efficiencies. Standard surface-impedance and roughness models failed to reproduce the frequency-dependent radiation loss observed in printed inks, underscoring the need for AM-specific conductor parameterization. Mission testing confirmed TDRSS link closure from NASA’s Columbia Scientific Balloon Facility and validated a repeatable print–measure–fly workflow for bounding RF performance and qualifying AM antennas for field use.

Peter Moschetti

NASA Weather Balloon Demonstration of an Additively Manufactured Antenna

Additive manufacturing (AM) enables low-cost, lightweight, and geometrically flexible antennas for rapid deployment missions. This work reports a left-hand circularly polarized magneto-electric dipole printed on a Radix dielectric with inkjet silver metallization and demonstrated as a process replacement for NASA weather-balloon RF hardware. By combining substrate fabrication and metallization, AM provides value for unrecoverable or field-replaceable systems. A physics based verification workflow links AM-specific material behavior to electromagnetic performance and yields bounded total, radiation, and mismatch efficiencies. Standard surface-impedance and roughness models failed to reproduce the frequency-dependent radiation loss observed in printed inks, underscoring the need for AM-specific conductor parameterization. Mission testing confirmed TDRSS link closure from NASA’s Columbia Scientific Balloon Facility and validated a repeatable print–measure–fly workflow for bounding RF performance and qualifying AM antennas for field use.

Peter Moschetti

Bipolar Nickel-Metal Hydride Battery Being Developed

The NASA Lewis Research Center has contracted with Electro Energy, Inc., to develop a bipolar nickel-metal hydride battery design for energy storage on low-Earth-orbit satellites. The objective of the bipolar nickel-metal hydride battery development program is to approach advanced battery development from a systems level while incorporating technology advances from the lightweight nickel electrode field, hydride development, and design developments from nickel-hydrogen systems. This will result in a low-volume, simplified, less-expensive battery system that is ideal for small spacecraft applications. The goals of the program are to develop a 1-kilowatt, 28-volt (V), bipolar nickel-metal hydride battery with a specific energy of 100 watt-hours per kilogram (W-hr/kg), an energy density of 250 W-hr/liter and a 5-year life in low Earth orbit at 40-percent depth-of-discharge.

Manzo, Michelle A.

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

POWER ELECTRONICS GRID TIED SYSTEM FINAL REPORT

Across the country, electric utilities are grappling with the persistent hurdles of integrating Distributed Energy Resources (DERs). Managing these assets safely and effectively is a complex endeavor, complicated by varying ownership structures, management philosophies, and the diversity of the technologies themselves. Consequently, the industry has seen a proliferation of bespoke system designs, control strategies, and communication frameworks—forcing utilities to spend significant time and resources developing one-off integration solutions. This project addressed these integration hurdles through a scalable demonstration of intelligent devices designed to coordinate and control diverse resources in low-voltage applications. This concept minimized the need for complex integration by transforming the separate DERs into a dispatchable virtual power plant (VPP) with integrated resiliency functions (called a Node). By collaborating with a utility partner, the project focused on developing rapidly implementable use cases that bridged the gap between theoretical control and real-world deployment

99 GENERAL AND MISCELLANEOUS