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Results for “single-atom catalysts”

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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507 records · Page 13
All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

Exposure of Highly Reflective Far-Ultraviolet Coatings to LEO Environment for TRL Advancement for the Habitable Worlds Observatory

Over the past several years, our team at the NASA Goddard Space Flight Center (GSFC), in collaboration with the Jet Propulsion Laboratory (JPL) and the Naval Research Laboratory (NRL), have developed several new protected Al coating technologies with improved Far-Ultraviolet (FUV) reflectance performance and more robust environmental stability. These include Al protected with lithium-based fluoride (LiF) coatings such as hot deposited LiF (eLiF), XeF 2 -passivated LiF coatings (XeLiF), Li 3 AlF 6 overcoats, AlF 3 (plasma passivated), and XeF 2 passivated MgF 2 coatings (XeMgF 2 ). However, despite these developments, relatively little experimental information exists regarding the long-term stability of these coatings after simultaneous exposure to the Low Earth Orbit (LEO) environment. To evaluate their environmental durability and advance their Technology Readiness Level (TRL), representative samples of these coating technologies, Al+XeLiF, Al+eLiF, Al+Li 3 AlF 6 , Al+AlF 3 , Al+XeMgF 2 , and bare Al as reference samples, were flown onboard the International Space Station (ISS) as part of the Materials International Space Station Experiment 20 (MISSE-20). The MISSE platform is operated by Aegis Aerospace for relatively long-duration (e.g. 6 months) external exposure experiments in a space environment. The coatings were deposited on ULE and Zerodur substrates, and witness samples deposited on the same coatings runs, but on glass slides were left on Earth as control. A subset of the flight samples were fitted with MgF 2 windows to reduce direct exposure to atomic oxygen (AO) and charged particles, and still let through UV and other types of radiation on these samples. After approximately 6 months of exposure in the forward-facing (RAM) direction, the samples were returned to Earth and characterized by performing FUV/NUV/VIS/NIR reflectance measurements to quantify degradation, spectroscopic ellipsometry to evaluate coating thickness and optical constants, atomic force microscopy (AFM) to quantify surface roughness evolution during the flight in the ISS. The MgF 2 protective windows were also analyzed through FUV transmission measurements. Comparison with the witness samples left on the ground and with the flown bare Al samples (with just the naturally occurring Al 2 O 3 layer) provided a quantitative assessment of coating thickness variations, optical performance degradation, and morphological changes induced by prolonged exposure to the LEO environment.

Far Ultraviolet (FUV)↗
DOE OSTI2024

The Electron‐Density Distribution of UCl 4 and Its Topology from X‐ray Diffraction

Abstract The chemistry of electrons in actinide complexes and materials is still poorly understood and represents a serious challenge and opportunity for experiment and theory. The study of the electron density distribution of the ground state of such systems through X‐ray diffraction represents a unique opportunity to quantitatively investigate different chemical bonding interactions at once, but was considered “almost impossible” on heavy‐atom systems, until very recently. Here, we present a combined experimental and theoretical investigation of the electron density distribution in UCl_ 4 crystals and comparison with the previously reported spin density distribution from polarized neutron diffraction. All approaches provide a consistent picture in terms of electron and spin density distribution, and chemical bond characterization. More importantly, the synergy between experiments and quantum‐mechanical calculations allows to highlight the remarkable sensitivity of X‐ray diffraction to electrons in materials.

Chemistry↗
DOE OSTI2024

Surface science insight note: A linear algebraic approach to elucidate native films on Fe 3 O 4 surface

Standard materials are often used to obtain spectra that can be compared to those from unknown samples. Spectra measured from these known substances are also used as a means of computing sensitivity factors to allow quantification by X-ray photoelectron spectroscopy (XPS) of less well-defined materials. Spectra from known materials also provide line shapes suitable for inclusion in spectral models which, when fitted to spectra, permit the chemical state for a sample to be assessed. Both types of information depend on isolating photoemission signals from the inelastically scattered signal. In this Insight note, technical issues associated with the use of XPS of as received Fe 3 O 4 powder sample surface are discussed. The Insight note is designed to show how linear algebraic techniques applied to data collected from a sample marketed as pure Fe 3 O 4 powder are used to verify that XPS has been performed on chemistry representative of the sample. The methods described in this Insight note can further be utilized in elucidating complex XPS data obtained from thin films formed or evolved during cyclic/non-steady use of complex (electro)catalyst surfaces, especially in the presence of contaminants.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2009

Battery Cell Voltage Sensing and Balancing Using Addressable Transformers

A document discusses the use of saturating transformers in a matrix arrangement to address individual cells in a high voltage battery. This arrangement is able to monitor and charge individual cells while limiting the complexity of circuitry in the battery. The arrangement has inherent galvanic isolation, low cell leakage currents, and allows a single bad cell in a battery of several hundred cells to be easily spotted.

Davies, Francis↗
NASA NTRS1995

High-Performance Reactionless Scan Mechanism

A high-performance reactionless scan mirror mechanism was developed for space applications to provide thermal images of the Earth. The design incorporates a unique mechanical means of providing reactionless operation that also minimizes weight, mechanical resonance operation to minimize power, combined use of a single optical encoder to sense coarse and fine angular position, and a new kinematic mount of the mirror. A flex pivot hardware failure and current project status are discussed.

Ellen I Williams↗
NASA NTRS1992

Ruled and holographic experiment (AO 138-5)

The AO 138-5 experiment has been designed, via the French Cooperative Payload (FRECOPA) experiment with the aim to study the optical behavior of different diffraction gratings submitted to space vacuum long exposure and solar radiation. Samples were rules and holographic gratings, masters or replica, and some additional control mirrors with various coatings. The experiment was located on the B3, trailing edge of the Long Duration Exposure Facility (LDEF) and has been protected against atomic oxygen flux. The experienced thermal cycling has been evaluated from -23 C to 66 C during the flight, 34,000 orbits. The analysis has been focused on the triple point characterization including light efficiency, wavefront flatness quality and stray light level. Tests were conducted on control mirrors and gratings loaded but not exposed to cosmic dust or solar irradiations. They did not show any significant variations. Solar exposure has damaged the coating reflectivity in the ultraviolet region, the degradation is higher with the gratings, in terms of efficiency. However, wavefront flatness quality and stray light level tests revealed no additional changes.

Francis Bonnemason↗
NASA NTRSDate not supplied

Preliminary Dynamic Modeling of the Quarter-Scale Distributed Electric Propulsion Aircraft

This paper describes the early-stage modeling of a quarter-scale distributed electric propulsion aircraft, based on the SUbsonic Single Aft eNgine (SUSAN) Electrofan, a transformative concept aircraft for which a model exists. The full-scale 180 passenger SUSAN concept has a single turbofan engine in the tail that both produces thrust and provides electrical power to 16 electric fans distributed across the wings utilizing a series/parallel hybrid architecture. The quarter-scale version would have an internal combustion piston engine to provide power to 17 electric fans–16 on the wings, one in the tail–in a series hybrid configuration, and no vertical or horizontal stabilizers. It would also have a reduced flight envelope in terms of both altitude and speed. The initial modeling approach is to scale down the original airframe model to capture the dynamic behavior of a much smaller aircraft, albeit with an empennage. The original powertrain model is then replaced with one representing the physical components of that of the quarter-scale vehicle. This powertrain model is suitable for control design and analysis, and the fully integrated, although preliminary, aircraft model allows flight simulator testing and evaluation. Results from simulations are presented.

electrified aircraft propulsion↗
NASA NTRSDate not supplied

Preliminary Dynamic Modeling of the Quarter-Scale Distributed Electric Propulsion Aircraft

This presentation describes the early-stage modeling of a quarter-scale distributed electric propulsion aircraft, based on the SUbsonic Single Aft eNgine (SUSAN) Electrofan, a transformative concept aircraft for which a model exists. The full-scale 180 passenger SUSAN concept has a single turbofan engine in the tail that both produces thrust and provides electrical power to 16 electric fans distributed across the wings utilizing a series/parallel hybrid architecture. The quarter-scale version would have an internal combustion piston engine to provide power to 17 electric fans–16 on the wings, one in the tail–in a series hybrid configuration, and no vertical or horizontal stabilizers. It would also have a reduced flight envelope in terms of both altitude and speed. The initial modeling approach is to scale down the original airframe model to capture the dynamic behavior of a much smaller aircraft, albeit with an empennage. The original powertrain model is then replaced with one representing the physical components of that of the quarter-scale vehicle. This powertrain model is suitable for control design and analysis, and the fully integrated, although preliminary, aircraft model allows flight simulator testing and evaluation. Results from simulations are presented.

electrified aircraft propulsion↗
NASA NTRS2026

Preliminary Dynamic Modeling of the Quarter-Scale Distributed Electric Propulsion Aircraft

This paper describes the early-stage modeling of a quarter-scale distributed electric propulsion aircraft, based on the SUbsonic Single Aft eNgine (SUSAN) Electrofan, a transformative concept aircraft for which a model exists. The full-scale 180 passenger SUSAN concept has a single turbofan engine in the tail that both produces thrust and provides electrical power to 16 electric fans distributed across the wings utilizing a series/parallel hybrid architecture. The quarter-scale version would have an internal combustion piston engine to provide power to 17 electric fans–16 on the wings, one in the tail–in a series hybrid configuration, and no vertical or horizontal stabilizers. It would also have a reduced flight envelope in terms of both altitude and speed. The initial modeling approach is to scale down the original airframe model to capture the dynamic behavior of a much smaller aircraft, albeit with an empennage. The original powertrain model is then replaced with one representing the physical components of that of the quarter-scale vehicle. This powertrain model is suitable for control design and analysis, and the fully integrated, although preliminary, aircraft model allows flight simulator testing and evaluation. Results from simulations are presented.

Electrified powertrain↗
DOE OSTI2024

N-Doped Graphene (N-G)/MOF(ZIF-8)-Based/Derived Materials for Electrochemical Energy Applications: Synthesis, Characteristics, and Functionality

In recent years, graphene-type materials originating from metal–organic frameworks (MOFs) or integrated with MOFs have exhibited notable performances across various applications. However, a comprehensive understanding of these complex materials and their functionalities remains obscure. While some studies have reviewed graphene/MOF composites from different perspectives, due to their structural–functional intricacies, it is crucial to conduct more in-depth reviews focusing on specific sets of graphene/MOF composites designed for particular applications. In this review, we thoroughly investigate the syntheses, characteristics, and performances of N-G/MOF(ZIF-8)-based/derived materials employed in electrochemical energy conversion and storage systems. Special attention is given to realizing their fundamental functionalities. The discussions are divided into three segments based on the application of N-G/ZIF-8-based/derived materials as electrode materials for batteries, electrodes for electrochemical capacitors, and electrocatalysts. As electrodes for batteries, N-G/MOF(ZIF-8) materials can mitigate issues like an electrode volume expansion for Li-ion batteries and the ‘shuttle effect’ for Li-S batteries. As electrodes for electrochemical capacitors, these materials can considerably improve the ion transfer rate and electronic conductivity, thereby enhancing the specific capacitance while maintaining the structural stability. Also, it was observed that these materials could occasionally outperform standard platinum-based catalysts for the electrochemical oxygen reduction reaction (ORR). The reported electrochemical performances and structural parameters of these materials were carefully tabulated in uniform units and scales. Through a critical analysis of the present synthesis trends, characteristics, and functionalities of these materials, specific aspects were identified that required further exploration to fully utilize their inherent capabilities.

Electrochemistry↗
DOE OSTI2024

The cluster decomposition of the configurational energy of multicomponent alloys

Abstract The cluster expansion method (CEM) is a widely used lattice-based technique in the study of multicomponent alloys. Despite its prevalent use, a clear understanding of expansion terms is lacking. We present a modern mathematical formalism of the CEM and introduce thecluster decomposition—a unique and basis-independent decomposition for functions of the atomic configuration in a crystal. We identify the cluster decomposition as an invariant ANOVA decomposition; and demonstrate how functional analysis of variance and sensitivity analysis can be used to interpret interactions among species. Furthermore, we show how the mathematical structure of the cluster decomposition enables numerical evaluation that scales with the number of clusters and is independent of the number of species. Overall, our work enables rigorous interpretations of interactions among species, provides opportunities to explore parameter estimation beyond linear regression, introduces a numerical efficient implementation, and enables analysis of cluster expansions based on established mathematical and statistical principles.

Chemistry↗
DOE OSTI2025

Nuclear quantum effects in molecular liquids across chemical space

Abstract Nuclear quantum effects (NQEs) influence many physical and chemical phenomena, particularly those involving light atoms or occurring at low temperatures. However, their impact has been carefully quantified in few systems-like water-and is rarely considered more broadly. Here we use path-integral molecular dynamics to systematically investigate NQEs on thermophysical properties of 92 organic liquids at ambient conditions. Depending on chemical constitution, we find substantial impact across thermal expansivity, compressibility, dielectric constant, enthalpy of vaporization, and notably molar volume, which shows consistent, positive quantum-classical differences up to 5%; similar, less pronounced trends manifest as isotope effects from deuteration. Using data-driven analysis, we identify three features-molar mass, classical hydrogen density, and classical thermal expansivity-that accurately predict NQEs and facilitate understanding of how characteristics like branching and heteroatom content influence behavior. This work highlights the broad relevance of NQEs in molecular liquids, while also providing a conceptual and practical framework to anticipate their impact.

Science & Technology - Other Topics↗
NASA NTRSDate not supplied

Solvent-Free Preparation of High Energy, Binder-Free Electrodes Enabled by Dry Compressible Holey Graphene

Graphene is an atomically thick sheet consisting of a graphitic carbon network with excellent mechanical strength, electrical and thermal conductivity, and chemical stability. Holey graphene, a structural derivative of graphene, has an array of through-the-thickness holes across the lateral surface of the nanosheet. The presence of these holes has minimal detrimental effect on the graphene properties and leads to enhanced performance in applications such as electronics, sensors, and energy storage. For example, these holes allow more facile cross-plane ion and gas transport than intact graphene, making holey graphene an ideal electrode material for electrochemical energy storage. This presentation will focus on the ability of holey graphene to be compression molded into robust articles or architectures under solvent-free conditions without the need for potentially parasitic binders. The unique dry compressibility of holey graphene has enabled facile fabrication of high mass loading electrodes with both high density and high porosity, which have found use in supercapacitors and various high-energy battery systems such as lithium-oxygen, lithium-sulfur, and lithium-selenium batteries.

Yi Lin↗
DOE OSTI2023

The UCLA Cosmochemistry Database

Abstract The UCLA Cosmochemistry Database was initiated as part of a data-rescue and -storage project aimed at archiving a variety of cosmochemical data acquired at University of California, Los Angeles (UCLA). The data collection includes elemental compositions of extraterrestrial materials analyzed by UCLA cosmochemists over the last five decades. The analytical techniques include atomic absorption spectrometry (AAS) and neutron activation analysis (NAA) at UCLA. The data collection is stored on the Astromaterials Data System (Astromat). We provide both interactive tables and downloadable datasheets for users to access all data. The UCLA Cosmochemistry Database archives cosmochemical data that are essential tools for increasing our understanding of the nature and origin of extraterrestrial materials. Future studies can reference the data collection in the examination, analysis, and classification of newly acquired extraterrestrial samples.

Science & Technology - Other Topics↗
NASA NTRS1981

Synthetic battery cycling

The use of interactive computer graphics is suggested as an aid in battery system development. Mathematical representations of simplistic but fully representative functions of many electrochemical concepts of current practical interest will permit battery level charge and discharge phenomena to be analyzed in a qualitative manner prior to the assembly and testing of actual hardware. This technique is a useful addition to the variety of tools available to the battery system designer as he bridges the gap between interesting single cell life test data and reliable energy storage subsystems.

Thaller, L. H.↗
DOE OSTI2025

Should I stay or should I flow? An exploration of phase‐separated metallosupramolecular liquid crystal polymers

Abstract Dynamic liquid crystalline polymers (dLCPs) incorporate both liquid crystalline mesogens and dynamic bonds into a single polymeric material. These dual functionalities impart order‐dependent thermo‐responsive mechano‐optical properties and enhanced reprocessability/programmability enabling their use as soft actuators, adaptive adhesives, and damping materials. While many previous works studying dynamic LCPs utilize dynamic covalent bonds, metallosupramolecular bonds provide a modular platform where a series of materials can be accessed from a single polymeric feedstock through the variation of the metal ion used. A series of dLCPs were prepared by the addition of metal salts to a telechelic 2,6‐bisbenzimidazolylpyridine (Bip) ligand endcapped LCP to form metallosupramolecular liquid crystal polymers (MSLCPs). The resulting MSLCPs were found to phase separate into hard and soft phases which aids in their mechanical robustness. Variations of the metal salts used to access these materials allowed for control of the thermomechanical, viscoelastic, and adhesive properties with relaxations that can be tailored independently of the mesogenic transition. This work demonstrates that by accessing phase separation through the incorporation of metallosupramolecular moieties, highly processable yet robust MSLCP materials can be realized. This class of materials opens the door to LCPs with bulk flow behavior that can also be utilized as multi‐level adhesives.

Chemistry↗
NASA NTRS1989

Advanced Space Power PEM Fuel Cell Systems

A model showing mass and heat transfer in proton exchange membrane (PEM) single cells is presented. For space applications, stack operation requiring combined water and thermal management is needed. Advanced hardware designs able to combine these two techniques are available. Test results are shown for membrane materials which can operate with sufficiently fast diffusive water transport to sustain current densities of 300 ma per square centimeter. Higher power density levels are predicted to require active water removal.

PEM↗