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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 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
NASA NTRS2001

Flame Synthesis of Single- and Multi-Walled Carbon Nanotubes and Nanofibers

Metal-catalyzed carbon nanotubes are highly sought for a diverse range of applications that include nanoelectronics, battery electrode material, catalysis, hydrogen storage media and reinforcing agents in polymer composites. These latter applications will require vast quantities of nanotubes at competitive prices to be economically feasible. Moreover, reinforcing applications may not require ultrahigh purity nanotubes. Indeed, functionalization of nanotubes to facilitate interfacial bonding within composites will naturally introduce defects into the tube walls, lessening their tensile strength. Current methods of aerosol synthesis of carbon nanotubes include laser ablation of composite targets of carbon and catalyst metal within high temperature furnaces and decomposition of a organometallics in hydrocarbons mixtures within a tube furnace. Common to each approach is the generation of particles in the presence of the reactive hydrocarbon species at elevated temperatures. In the laser-ablation approach, the situation is even more dynamic in that particles and nanotubes are borne during the transient cooling phase of the laser-induced plasma for which the temperature far exceeds that of the surrounding hot gases within the furnace process tube. A shared limitation is that more efficient methods of nanoparticle synthesis are not readily incorporated into these approaches. In contrast, combustion can quite naturally create nanomaterials such as carbon black. Flame synthesis is well known for its commercial scalability and energy efficiency. However, flames do present a complex chemical environment with steep gradients in temperature and species concentrations. Moreover, reaction times are limited within buoyant driven flows to tens of milliseconds. Therein microgravity can greatly lessen temperature and spatial gradients while allowing independent control of flame residence times. In preparation for defining the microgravity experiments, the work presented here focuses on the effect of catalyst particle size and reactant gas in 1g.

VanderWal, R. L.↗
DOE OSTI2026

Conformable, Composite Tank for Liquid Hydrogen Storage in Heavy-duty Ground Transportation

Raytheon Technologies Research Center (RTRC), with its partners, Argonne National Labs and University of Dayton Research Institute proposed to design and manufacture a conformable composite tank prototype to store liquid Hydrogen (LH2) for heavy-duty truck applications. A dual-wall tank concept was proposed where an outer shell covers and protects an inner pressure vessel that stores liquid hydrogen. The inner pressure vessel is liner-less and designed with a conformable concept, derived from prior RTRC ARPA-E program where multiple vessels are coalesced into one, maximizing space utilization and reducing surface area for heat leak. The gap between the dual wall is evacuated of air pressure, and filled with multi-layer insulation to minimize radiative heat transfer. Fiber reinforced composites were proposed for light-weighting and conformable shape manufacture. To minimize LH2 leakage, carbon nanotubes-infused composites were proposed, in addition to use of thin plies. The project was divided into two 18-month budget periods (BP), BP1 and BP2, separated by a Go/No-Go gate review. The high-level goal for BP1 was to demonstrate the feasibility of the overall approach, the tank design, material selection, and manufacturing methodology, build and test a prototype tank; and the goal for BP2 was to design and manufacture a conformal tank per DOE requirements (minimum 20 kg of LH2) and perform a successful test of the tank. The program was terminated about two-thirds of the way through BP1. The outcome of this program would have permitted long-haul trucks and construction vehicles to use liquid Hydrogen, reducing the emission of green-house gases. This technology is applicable to other transportation sectors as well.

08 HYDROGEN↗
NASA NTRS1987

Real time charge efficiency monitoring for nickel electrodes in NICD and NIH2 cells

The charge efficiency of nickel-cadmium and nickel-hydrogen battery cells is critical in spacecraft applications for determining the amount of time required for a battery to reach a full state of charge. As the nickel-cadmium or nickel-hydrogen batteries approach about 90 percent state of charge, the charge efficiency begins to drop towards zero, making estimation of the total amount of stored charge uncertain. Charge efficiency estimates are typically based on prior history of available capacity following standardized conditions for charge and discharge. These methods work well as long as performance does not change significantly. A relatively simple method for determining charge efficiencies during real time operation for these battery cells would be a tremendous advantage. Such a method was explored and appears to be quite well suited for application to nickel-cadmium and nickel-hydrogen battery cells. The charge efficiency is monitored in real time, using only voltage measurements as inputs. With further evaluation such a method may provide a means to better manage charge control of batteries, particularly in systems where a high degree of autonomy or system intelligence is required.

Zimmerman, A. H.↗
NASA NTRS2000

Cryogenic system design for a hydrogen sorption cooler

For several future space applications, long life vibration free collers are needed to cover the temperature range from 60K to about 4K. We describe the development of a novel cryogenic system capable of reaching 18K in coupled resevoirs that provide distributed cooling with small temperature fluctuations.

sorption cryocoolers Joule-Thomson expansion liqui↗
DOE OSTI2023

Defect graph neural networks for materials discovery in high-temperature clean-energy applications

We present a graph neural network approach that fully automates the prediction of defect formation enthalpies for any crystallographic site from the ideal crystal structure, without the need to create defected atomic structure models as input. Here we used density functional theory reference data for vacancy defects in oxides, to train a defect graph neural network (dGNN) model that replaces the density functional theory supercell relaxations otherwise required for each symmetrically unique crystal site. Interfaced with thermodynamic calculations of reduction entropies and associated free energies, the dGNN model is applied to the screening of oxides in the Materials Project database, connecting the zero-kelvin defect enthalpies to high-temperature process conditions relevant for solar thermochemical hydrogen production and other energy applications. The dGNN approach is applicable to arbitrary structures with an accuracy limited principally by the amount and diversity of the training data, and it is generalizable to other defect types and advanced graph convolution architectures. In conclusion, it will help to tackle future materials discovery problems in clean energy and beyond.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Searching for Low-mass Population III Stars Disguised as White Dwarfs

It is uncertain whether or not low-mass Population III stars ever existed. While limits on the number density of Population III stars with M {sub *} ≈ 0.8 M {sub ⊙} have been derived, using Sloan Digital Sky Survey (SDSS) data, little is known about the occurrence of Population III stars at lower masses. In the absence of reliable parallaxes, the spectra of metal-poor main-sequence (MPMS) stars with M {sub *} ≲ 0.8 M {sub ⊙} can easily be confused with those of cool white dwarfs. To resolve this ambiguity, in this paper we present a classifier that differentiates between MPMS stars and white dwarfs, based on photometry and/or spectroscopy without the use of parallax information. We build and train our classifier using state-of-the-art theoretical spectra, and evaluate it on existing SDSS-based classifications for objects with reliable Gaia DR2 parallaxes. We then apply our classifier to a large catalog of objects with SDSS photometry and spectroscopy to search for MPMS candidates. We discover several previously unknown, extremely metal-poor (EMP) candidate stars, and recover numerous confirmed EMP stars already noted in the literature. We conclude that archival SDSS spectroscopy has already been exhaustively searched for EMP stars. We predict that the lowest-mass stars of primordial composition will have redder optical-to-infrared colors than cool white dwarfs at constant effective temperature, due to surface gravity-dependent collision-induced absorption from molecular hydrogen. We suggest that the application of our classifier to data produced by next-generation spectroscopic surveys will set stronger constraints on the number density of low-mass Population III stars in the Milky Way.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Durability of Pt-Alloy Catalyst for Heavy-Duty Polymer Electrolyte Fuel Cell Applications under Realistic Conditions

As an emerging technology, polymer electrolyte fuel cells (PEFCs) powered by clean hydrogen can be a great source of renewable power generation with flexible utilization because of high gravimetric energy density of hydrogen. To be used in real-life applications, PEFCs need to maintain their performance for long-term use under a wide range of conditions. Therefore, it's important to understand the degradation of the PEFC under protocols that are closely related to the catalyst lifetime. Alloying Pt with transitional metal improves catalyst activity. It is also crucial to understand Pt alloys degradation mechanisms to improve their durability. To study durability of Pt alloys, accelerated stress tests (ASTs) are performed on Pt-Co catalyst supported on two types of carbon. Two different AST protocols were being studied: Membrane Electrolyte Assembly (MEA) AST based on the protocol introduced by the Million Mile Fuel Cell Truck consortium in 2023 and Catalyst AST, adopted from the U.S. Department of Energy (DoE).

25 ENERGY STORAGE↗
DOE OSTI2025

Photocatalytic Semiconductor–Metal Hybrid Nanoparticles: Single-Atom Catalyst Regime Surpasses Metal Tips

Semiconductor–metal hybrid nanoparticles (HNPs) are promising materials for photocatalytic applications, such as water splitting for green hydrogen generation. While most studies have focused on Cd containing HNPs, the realization of actual applications will require environmentally compatible systems. Using heavy-metal free ZnSe-Au HNPs as a model, we investigate the dependence of their functionality and efficiency on the cocatalyst metal domain characteristics ranging from the single-atom catalyst (SAC) regime to metal-tipped systems. The SAC regime was achieved via the deposition of individual atomic cocatalysts on the semiconductor nanocrystals in solution. Utilizing a combination of electron microscopy, X-ray absorption spectroscopy, and X-ray photoelectron spectroscopy, we established the presence of single Au atoms on the ZnSe nanorod surface. Upon increased Au concentration, this transitions to metal tip growth. Photocatalytic hydrogen generation measurements reveal a strong dependence on the cocatalyst loading with a sharp response maximum in the SAC regime. Ultrafast dynamics studies show similar electron decay kinetics for the pristine ZnSe nanorods and the ZnSe-Au HNPs in either SAC or tipped systems. This indicates that electron transfer is not the rate-limiting step for the photocatalytic process. Combined with the structural-chemical characterization, we conclude that the enhanced photocatalytic activity is due to the higher reactivity of the single-atom sites. This holistic view establishes the significance of SAC-HNPs, setting the stage for designing efficient and sustainable heavy-metal-free photocatalyst nanoparticles for numerous applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1986

A new chromium carbide-based tribological coating for use to 900 deg C with particular reference to the Stirling engine

A new chromium carbide-based coating (PS 200) is described. This coating is shown to have good friction and wear properties over a wide temperature range. A nickel alloy-bonded chromium carbide coating was used as a baseline material for comparison with experimental formulated coatings. Coatings were plasma sprayed onto metal disks, then diamond ground to a thickness of 0.025 cm. Friction and wear were determined using a pin on disk tribometer at temperatures from 25 to 900 C in hydrogen, helium, and air. Pin materials included several metallic alloys and silicon carbide. It was found that appropriate additions of metallic silver and of barium fluoride/calcium fluoride eutectic to the baseline carbide composition significantly reduced friction coefficients while preserving, and in some cases, even enhancing wear resistance. The results of this study demonstrate that PS 200 is a promising coating composition to consider for high temperature aerospace and advanced heat engine applications. The excellent results in hydrogen make this coating of particular interest for use in the Stirling engine.

Sliney, H. E.↗
NASA NTRS1986

A new chromium carbide-based tribological coating for use to 900 C with particular reference to the Stirling engine

A new chromium carbide-based coating (PS 200) is described. This coating is shown to have good friction and wear properties over a wide temperature range. A nickel alloy-bonded chromium carbide coating was used as a baseline material for comparison with experimentally formulated coatings. Coatings were plasma sprayed onto metal disks, then diamond ground to a thickness of 0.025 cm. Friction and wear were determined using a pin on disk tribometer at temperatures from 25 to 900 C in hydrogen, helium, and air. Pin materials included several metallic alloys and silicon carbide. It was found that appropriate additions of metallic silver and of barium fluoride/calcium fluoride eutectic to the baseline carbide composition significantly reduced friction coefficients while preserving, and in some cases, even enhancing wear resistance. The results of this study demonstrate that PS 200 is a promising coating composition to consider for high temperature aerospace and advanced heat engine applications. The excellent results in hydrogen make this coating of particular interest for use in the Stirling engine.

Sliney, Harold E.↗
DOE OSTI2026

Hydrogen defects in LaBi 2 O 4 X (X = Cl, Br, and I) Sillén oxyhalide phases and their impacts on ionic transport

Sillén oxyhalides have recently emerged as promising materials for both photocatalytic and ionic transport applications, yet the role of likely-ubiquitous hydrogen-related defects in these layered compounds remains largely unexplored. Here, we employ first-principles defect calculations to investigate incorporation energetics for hydrogen- and oxygen-related defects, as well as their migration barriers in LaBi 2 O 4 X (X = Cl, Br, I) phases. We find that hydrogen interstitials, particularly protonic species (H i + ), are readily accommodated within the open Bi–O layers. Protons compete with oxygen vacancy donors (V O 2+ ) and charge-compensate with oxygen interstitial acceptors (O i 2− ). By linking hydrogen defect formation to water- and oxygen-related redox equilibria, we reveal that V O 2+ facilitates H i + incorporation, while O i 2− promotes interstitial hydroxide formation, establishing a direct connection between proton and oxide-ion transport. Calculated migration barriers indicate that ionic diffusion is confined to Bi–O layers with low barriers of 0.20–0.25 eV for H i + and 0.14–0.25 eV for V O 2+ , suggesting that the materials contain intrinsic pathways for mixed ionic conduction. These results provide a microscopic picture of hydrogen behavior in Sillén oxyhalides and point to design strategies for integrating protonic and oxide-ion transport in layered oxyhalide electrolytes. Band-edge alignment analysis shows that LaBi 2 O 4 I provides the optimal combination of hydrogen solubility, oxygen defect stability, and mixed ionic conductivity, highlighting its potential for low-temperature electrochemical and energy-conversion applications. Overall, this work establishes the defect-driven origin of hydrogen transport in Sillén oxyhalides and expands their applicability beyond photocatalysis to mixed ionic conduction and hydrogen electrochemistry.

Energy - Conversion↗
DOE OSTI2023

Catalysts and Electrodes for Affordable Hydrogen Generation and Utilization [Slides]

Hydrogen enables energy pathways across applications and sectors in an increasingly interconnected energy system, helping deep decarbonization, economic growth, and jobs creation. Electrochemical Energy Conversion Devices produce "green" H 2 from water: electrolyzers. H 2 is used to produce "green" electricity through fuel cells. There is a need of catalysts to enhance reactions kinetics at the electrodes.

08 HYDROGEN↗
NASA NTRS1977

A hollow cathode hydrogen ion source

High current density ion sources have been used to heat plasmas in controlled thermonuclear reaction experiments. High beam currents imply relatively high emission currents from cathodes which have generally taken the form of tungsten filaments. A hydrogen ion source is described which was primarily developed to assess the emission current capability and design requirements for hollow cathodes for application in neutral injection devices. The hydrogen source produced ions by electron bombardment via a single hollow cathode. Source design followed mercury ion thruster technology, using a weak magnetic field to enhance ionization efficiency.

Sovey, J. S.↗
DOE OSTI2022

Atomically dispersed iron sites with a nitrogen–carbon coating as highly active and durable oxygen reduction catalysts for fuel cells

Nitrogen-coordinated single atom iron sites (FeN 4 ) embedded in carbon (Fe–N–C) are the most active platinum group metal-free oxygen reduction catalysts for proton-exchange membrane fuel cells. Still, current Fe–N–C catalysts lack sufficient long-term durability and are not yet viable for practical applications. Here we report a highly durable and active Fe–N–C catalyst synthesized using heat treatment with ammonia chloride followed by high-temperature deposition of a thin layer of nitrogen-doped carbon on the catalyst surface. We propose that catalyst stability is improved by converting defect-rich pyrrolic N-coordinated FeN 4 sites into highly stable pyridinic N-coordinated FeN 4 sites. The stability enhancement is demonstrated in membrane electrode assemblies using accelerated stress testing and a long-term steady-state test (>300 h at 0.67 V), approaching a typical Pt/C cathode (0.1 mg Pt cm -2 ). The encouraging stability improvement represents a critical step in developing viable Fe–N–C catalysts to overcome the cost barriers of hydrogen fuel cells for numerous applications.

08 HYDROGEN↗
DOE OSTI2025

Application of Machine Learning and Data Augmentation Algorithms in the Discovery of Metal Hydrides for Hydrogen Storage

The development of efficient and sustainable hydrogen storage materials is a key challenge for realizing hydrogen as a clean and flexible energy carrier. Among various options, metal hydrides offer high volumetric storage density and operational safety, yet their application is limited by thermodynamic, kinetic, and compositional constraints. In this work, we investigate the potential of machine learning (ML) to predict key thermodynamic properties—equilibrium plateau pressure, enthalpy, and entropy of hydride formation—based solely on alloy composition using Magpie-generated descriptors. We significantly expand an existing experimental dataset from ~400 to 806 entries and assess the impact of dataset size and data augmentation, using the PADRE algorithm, on model performance. Models including Support Vector Machines and Gradient Boosted Random Forests were trained and optimized via grid search and cross-validation. Results show a marked improvement in predictive accuracy with increased dataset size, while data augmentation benefits are limited to smaller datasets and do not improve accuracy in underrepresented pressure regimes. Furthermore, clustering and cross-validation analyses highlight the limited generalizability of models across different material classes, though high accuracy is achieved when training and testing within a single hydride family (e.g., AB2). The study demonstrates the viability and limitations of ML for accelerating hydride discovery, emphasizing the importance of dataset diversity and representation for robust property prediction.

augmentation↗
NASA NTRS2002

Computational Thermochemistry of Jet Fuels and Rocket Propellants

The design of new high-energy density molecules as candidates for jet and rocket fuels is an important goal of modern chemical thermodynamics. The NASA Glenn Research Center is home to a database of thermodynamic data for over 2000 compounds related to this goal, in the form of least-squares fits of heat capacities, enthalpies, and entropies as functions of temperature over the range of 300 - 6000 K. The chemical equilibrium with applications (CEA) program written and maintained by researchers at NASA Glenn over the last fifty years, makes use of this database for modeling the performance of potential rocket propellants. During its long history, the NASA Glenn database has been developed based on experimental results and data published in the scientific literature such as the standard JANAF tables. The recent development of efficient computational techniques based on quantum chemical methods provides an alternative source of information for expansion of such databases. For example, it is now possible to model dissociation or combustion reactions of small molecules to high accuracy using techniques such as coupled cluster theory or density functional theory. Unfortunately, the current applicability of reliable computational models is limited to relatively small molecules containing only around a dozen (non-hydrogen) atoms. We propose to extend the applicability of coupled cluster theory- often referred to as the 'gold standard' of quantum chemical methods- to molecules containing 30-50 non-hydrogen atoms. The centerpiece of this work is the concept of local correlation, in which the description of the electron interactions- known as electron correlation effects- are reduced to only their most important localized components. Such an advance has the potential to greatly expand the current reach of computational thermochemistry and thus to have a significant impact on the theoretical study of jet and rocket propellants.

Crawford, T. Daniel↗
DOE OSTI2026

Hydrogen Education for a Decarbonized Global Economy (H 2 EDGE) (Final Technical Report)

The energy sector is undergoing rapid growth and transformation, creating urgent demand for a skilled workforce to support emerging technologies and resilient systems. Hydrogen is an emerging solution for “hard to abate” sectors, including heavy industry and transportation that also provides optionality for the electric system and enables long‑duration energy storage. As hydrogen scales from traditional industrial uses to new applications, success depends on knowledgeable engineers, technicians, planners, and operators safely deploying hydrogen technologies across the full value chain: production, delivery, storage, and end use. The H 2 EDGE initiative, funded by the U.S. Department of Energy’s Hydrogen and Fuel Cell Technologies Office from 2020 to 2025, was launched to prepare people for careers hydrogen and related technologies. Through its interactive approach, H 2 EDGE equipped stakeholders with knowledge and tools to build a reliable and sustainable energy future together. H 2 EDGE built a national network of academic and industry partners to deliver modular training, share open-access curricula, and engage diverse talent pipelines. The program leveraged EPRI’s extensive industry membership and expanded on the train-the-trainer model of the GridEd program to connect educators, employers, and community organizations across all regions of the U.S. New methods were introduced to more systematically map hydrogen competencies and assess curricula using traditional and AI-assisted approaches. Outcomes included delivery of professional short courses, developing university curriculum, sponsoring faculty and student projects, and engaging stakeholders through workshops, site tours, and webinars.

08 HYDROGEN↗