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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

How Precisely Can Individual Molecules Be Analyzed? A Case Study on Locally Quantifying Forces and Energies Using Scanning Probe Microscopy

Recent advances in scanning probe microscopy methodology have enabled the measurement of tip-sample interactions with picometer accuracy in all three spatial dimensions, thereby providing a detailed site-specific and distance-dependent picture of the related properties. This paper explores the degree of detail and accuracy that can be achieved in locally quantifying probe-molecule interaction forces and energies for adsorbed molecules. Toward this end, cobalt phthalocyanine (CoPc), a promising CO 2 reduction catalyst, was studied on Ag(111) as a model system using low-temperature, ultrahigh vacuum noncontact atomic force microscopy. Data were recorded as a function of distance from the surface, from which detailed three-dimensional maps of the molecule's interaction with the tip for normal and lateral forces as well as the tip-molecule interaction potential were constructed. The data were collected with a CO molecule at the tip apex, which enabled a detailed visualization of the atomic structure. Determination of the tip-substrate interaction as a function of distance allowed isolation of the molecule-tip interactions; when analyzing these in terms of a Lennard-Jones-type potential, the atomically resolved equilibrium interaction energies between the CO tethered to the tip and the CoPc molecule could be recovered. Interaction energies peaked at less than 160 meV, indicating a physisorption interaction. As expected, the interaction was weakest at the aromatic hydrogens around the periphery of the molecule and strongest surrounding the metal center. In conclusion, the interaction, however, did not peak directly above the Co atom but rather in pockets surrounding it.

36 MATERIALS SCIENCE↗
DOE OSTI2022

The Conventional Gas Diffusion Electrode May Not Be Resistant to Flooding during CO 2 /CO Reduction

The electrochemical CO 2 or CO reduction to chemicals and fuels using renewable energy is a promising way to reduce anthropogenic carbon emissions. The gas diffusion electrode (GDE) design enables low-carbon manufacturing of target products at a current density (e.g., 500 mA cm –2 ) relevant to industrial requirements. However, the long-term stability of the GDE is restricted by poor water management and flooding, resulting in a significant hydrogen evolution reaction (HER) within almost an hour. The optimization of water management in the GDE demands a thorough understanding of the role of the gas diffusion layer (GDL) and the catalyst layer (CL) distinctively. In this work, the hydrophobicity of the GDL and CL is independently adjusted to investigate their influence on gas transport efficiency and water management. The gas transport efficiency is more enhanced with the increase in hydrophobicity of the GDL than the CL. Direct visualization of water distribution by optical microscope and micro-computed tomography demonstrates that the water flow pattern transfers from the stable displacement to capillary fingering as GDL hydrophobicity increases. Unfortunately, only increasing the hydrophobicity is not sufficient to prevent flooding. A revolutionary change in the design of the GDE structure is essential to maintain the long-term stability of CO 2 /CO reduction.

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

Faraday Slidedeck

Faraday is a data science and visualization platform for electrochemical impedance spectroscopy. The slide deck is a visual guide with high-level information pertaining to the background, theory, and development of the application.

data warehouse↗
NASA NTRS1981

A pulse-forming network for particle path visualization

A procedure is described for visualizing nonsteady fluid flow patterns over a wide velocity range using discrete nonluminous particles. The paramount element responsible for this capability is a pulse-forming network with variable inductance that is used to modulate the discharge of a fixed amount of electrical energy through a xenon flashtube. The selectable duration of the resultant light emission functions as a variable shutter so that particle path images of constant length can be recorded. The particles employed as flow markers are hydrogen bubbles that are generated by electrolysis in a water tunnel. Data are presented which document the characteristics of the electrical circuit and establish the relation of particle velocity to both section inductance and film exposure.

Mcalister, K. W.↗
NASA NTRS1998

Auroral Microphysics Rocket (AMICIST) and Reflight of the Phaze Sounding Rocket

This grant was originally awarded for the flight of the AMICIST sounding rocket. However, upon launch failure of the PHAZE rocket, additional resources were placed in this grant to cover the launch of the PHAZE II rocket. AMICIST was successfully launched from the Poker Flat Range on February 24, 1995, and the PHAZE II was successfully launched also from the Poker Flat Range on February 10, 1997. The major objective of the AMICIST flight was to investigate the bursts of transverse ion acceleration occurring during aurora, commonly known as Lower Hybrid Solitary Structures, with the flight of two scientific payloads to unravel space from time effects. The data clearly showed that the structures of ion acceleration were a spatial phenomena having a scale size transverse to the local magnetic field of about 100 m. On the other hand, structures in the auroral electrons were generally observed on this flight to be temporal features that occurred at the same time at the two payloads separated by a few kilometers. The primary objective of the PHAZE rocket flight was to further study the temporal features of auroral electron precipitation having many electron detectors, some fixed in energy, that could study the distribution function of the auroral electrons on time scales of a fraction of a millisecond. A important paper on this topic has just been submitted for publication which uses the PHAZE data to show that the potential structure (electric field parallel to the magnetic field) that accelerates the auroral electrons within one Earth radius of the ground, is not static, but rather fluctuates with frequencies close to the local proton and hydrogen gyrofrequencies. The fluctuation appears to be an actual turning on and off of the electric field at these frequencies. When the potential is turned off, ambient electrons can enter the region and be accelerated along B when the potential is on creating field- aligned bursts which manifest themselves as flickering aurora seen from the ground. The on/off model can explain many of the dynamic features of the aurora which have been unexplained since man first looked up at the visual display. Much needs to be done yet to understand how ions couple into this process.

Arnoldy Roger L.↗
NASA NTRS1981

Predicted star counts in selected fields and photometric bands Applications to galactic structure, the disk luminosity function, and the detection of a massive halo

Tables are presented of predicted star counts in 17 selected directions on the sky as a function of apparent B, V, R, and I magnitudes and absolute visual magnitudes calculated from the Bahcall-Soneira Galaxy model. It is noted that eight of the fields were selected ab initio for their usefulness in determining from star counts either parameters of galactic structure, the faint end of the disk luminosity function, or the detection of a massive stellar halo. Star counts in specified fields to m sub I = 19 mag are able to reveal the faint end of the disk luminosity function down to the end of the hydrogen-burning main sequence. It is thought that star counts at high galactic latitudes to m sub I = 22 mag should reveal the stellar constituents of a massive halo if they are massive enough to be on the hydrogen-burning main sequence.

Bahcall, J. N.↗
DOE OSTI2025

Investigating intermolecular interactions among CO 2 , water and PEEK-ionene membrane using cryo ToF-SIMS and isotopic labeling

Cryogenic time-of-flight secondary ion mass spectrometry (cryo ToF-SIMS) has emerged as a powerful tool for investigating molecular interactions, speciation, and dynamics in materials for CO 2 capture. In this study, we apply cryo ToF-SIMS to probe interactions between CO 2 , water, and PEEK-ionene membranes—a promising material for direct CO 2 capture due to its selectivity, durability, and efficiency. Despite this potential, the mechanisms governing CO 2 diffusion and the influence of water vapor on CO 2 behavior remain unclear. To address this, we loaded PEEK-ionene membranes with 13 CO 2 and D 2 O and employed cryo ToF-SIMS to visualize the 3D distribution of CO 2 and water within the membrane. While prior studies suggest that 13 CO 2 is absorbed under ambient conditions, our cryo ToF-SIMS analysis revealed no enhancement of the 13 C/ 12 C ratio, suggesting weak CO 2 -membrane interactions. As a result, CO 2 vaporizes even at low temperatures (−140°C) under vacuum conditions. In contrast, D 2 O displayed a relatively homogeneous distribution in the membrane, suggesting stronger water-membrane interactions via hydrogen bonding (18–20 kJ/mol). Interestingly, CO 2 was not detected in D 2 O-loaded membranes, indicating minimal interference from water vapor on CO 2 diffusion. As a comparison, the cryo ToF-SIMS data show that 13 CO 2 can readily react with a basic Na 2 CO 3 aqueous solution to form NaH 13 CO 3 . These findings demonstrate cryo ToF-SIMS as a critical technique for understanding gas-water-membrane interactions, offering insights for membrane functionalization to improve CO 2 capture efficiency.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1982

The detection of interstellar C I in the immediate vicinity of the sun

Multiple stacked IUE spectra reveal the presence of interstellar C I 1657 in the trough of a corresponding photospheric feature in the nearby star, Alpha PsA (d = 7 pc). This represents the first detection of this neutral atom in the interstellar medium within the immediate vicinity of the sun. It is suggested that C I may be a much better diagnostic tool in studying the local interstellar medium than the neutral species K I and Na I, which are observable at visual wavelengths. Variations in C I column density, coupled with b-values deduced from the Mg II doublet ratio, may prove to be an important means to unravel density and temperature fluctuations in the very local interstellar medium. Comparison of the line of sight toward Alpha PsA with previous Copernicus interstellar Mg II results for that of Alpha Leo tentatively indicates that the distribution of Mg II in the local cloud is not homogeneous about the sun. Rough constraints on the ionization fraction of hydrogen toward Alpha PsA do not conflict with previous data, implying that the very local interstellar medium is significantly ionized.

Bruhweiler, F. C.↗
NASA NTRS2008

NASA Tech Briefs, June 2008

Topics covered include: Charge-Control Unit for Testing Lithium-Ion Cells; Measuring Positions of Objects Using Two or More Cameras; Lidar System for Airborne Measurement of Clouds and Aerosols; Radiation-Insensitive Inverse Majority Gates; Reduced-Order Kalman Filtering for Processing Relative Measurements; Spaceborne Processor Array; Instrumentation System Diagnoses a Thermocouple; Chromatic Modulator for a High-Resolution CCD or APS; Commercial Product Activation Using RFID; Cup Cylindrical Waveguide Antenna; Aerobraking Maneuver (ABM) Report Generator; ABM Drag_Pass Report Generator; Transformation of OODT CAS to Perform Larger Tasks; Visualization Component of Vehicle Health Decision Support System; Mars Reconnaissance Orbiter Uplink Analysis Tool; Problem Reporting System; G-Guidance Interface Design for Small Body Mission Simulation; DSN Scheduling Engine; Replacement Sequence of Events Generator; Force-Control Algorithm for Surface Sampling; Tool for Merging Proposals Into DSN Schedules; Micromachined Slits for Imaging Spectrometers; Fabricating Nanodots Using Lift-Off of a Nanopore Template; Making Complex Electrically Conductive Patterns on Cloth; Special Polymer/Carbon Composite Films for Detecting SO2; Nickel-Based Superalloy Resists Embrittlement by Hydrogen; Chemical Passivation of Li+-Conducting Solid Electrolytes; Organic/Inorganic Polymeric Composites for Heat-Transfer Reduction; Composite Cathodes for Dual-Rate Li-Ion Batteries; Improved Descent-Rate Limiting Mechanism; Alignment-Insensitive Lower-Cost Telescope Architecture; Micro-Resistojet for Small Satellites; Using Piezoelectric Devices to Transmit Power through Walls; Miniature Latching Valve; Apparatus for Sampling Surface Contamination; Novel Species of Non-Spore-Forming Bacteria; Chamber for Aerosol Deposition of Bioparticles; Hyperspectral Sun Photometer for Atmospheric Characterization and Vicarious Calibrations; Dynamic Stability and Gravitational Balancing of Multiple Extended Bodies; Simulation of Stochastic Processes by Coupled ODE-PDE; Cluster Inter-Spacecraft Communications; Genetic Algorithm Optimizes Q-LAW Control Parameters; Low-Impact Mating System for Docking Spacecraft; Non-Destructive Evaluation of Materials via Ultraviolet Spectroscopy; Gold-on-Polymer-Based Sensing Films for Detection of Organic and Inorganic Analytes in the Air; and Quantum-Inspired Maximizer.

Source record↗
NASA NTRS1985

Free vorticity field-boundary layer conversions: Effect of boundary configuration and scale

Progress was made on further flow visualization of vortex-leading edge interaction, in conjunction with characterization of the unsteady pressure field. The range of scale of an elliptical leading edge, relative to the incident primary vortex, was determined. The scale of the incident vortex was characterized in terms of mean shear layer parameters. An overview of the interaction mechanism for the range of thin to thick leading-edges is given. The interaction mechanism corresponding to the case where the incident vortex is above the leading-edge is given for hydrogen bubble wires well upstream of and at the tip of the leading edge. A sample of the instantaneous pressure distribution for the case where the incident vortex dives beneath the edge is presented. The effect of scale of the incident vortex relative to that of the leading-edge was examined. The circulation and length scale of the incident vortices in the street are being characterized.

Rockwell, D.↗
NASA NTRS1989

High-temperature LDV seed particle development

The feasibility of developing a method for making monodisperse, unagglomerated spherical particles greater than 50 nm in diameter was demonstrated. Carbonaceous particles were made by pyrolyzing ethylene with a pulsed CO2 laser, thereby creating a non-equilibrium mixture of carbon, hydrogen, hydrocarbon vapors, and unpyrolyzed ethylene. Via a complex series of reactions, the carbon and hydrocarbon vapors quickly condensed into the spherical particles. By cooling and dispersing them in a supersonic expansion immediately after their creation, the hot newly-formed spheres were prevented from colliding and coalescing, thus preventing the problem of agglomeration which as plagued other investigators studying laser-simulated particle formation. The cold particles could be left suspended in the residual gases indefinitely without agglomerating. Their uniform sizes and unagglomerated nature were visualized by collecting the particles on filters that were subsequently examined using electron microscopy. It was found the mean particle size can be coarsely controlled by varying the initial ethylene pressure, and can be finely controlled by varying the fluence (energy/unit area) with which the laser irradiates the gas. The motivating application for this research was to manufacture particles that could be used as laser Doppler velocimetry (LDV) seeds in high-temperature high-speed flows. Though the particles made in this program will not evaporate until heated to about 3000 K, and thus could serve as LDV seeds in some applications, they are not ideal when the hot atmosphere is also oxidizing. In that situation, ceramic materials would be preferable. Research performed elsewhere has demonstrated that selected ceramic materials can be manufactured by laser pyrolysis of appropriate supply gases. It is anticipated that, when the same gases are used in conjunction with the rapid cooling technique, unagglomerated spherical ceramic particles can be made with little difficulty. Such particles would also be valuable to manufacturers of ceramic or abrasive products, and this technique may find its greatest commercial potential in those areas.

Frish, Michael B.↗
DOE OSTI2025

Atomic dynamics of gas-dependent oxide reducibility

Understanding oxide reduction is critical for advancing metal production, catalysis and energy technologies. Although carbon monoxide (CO) and hydrogen (H 2 ) are widely used reductants, the mechanisms by which they work are often presumed to be similar, both involving lattice oxygen removal. However, because of growing interest in replacing CO with H 2 to lower CO 2 emissions, distinguishing gas-specific reduction pathways is critical. Yet, capturing these atomic-scale processes under reactive gas and high-temperature conditions remains challenging. Here we use environmental transmission electron microscopy, which is capable of real-time, atomic-resolution imaging of gas–solid redox reactions to directly visualize the gas-dependent oxide reduction dynamics in NiO. We show that CO drives surface nucleation and the growth of metallic Ni islands, leading to self-limiting surface metallization. Conversely, H 2 activates a coupled surface-to-bulk transformation, where protons from dissociated H 2 infiltrate the oxide lattice to promote the inward migration of surface-generated oxygen vacancies and enabling bulk metallization. By contrast, oxygen vacancies formed by CO remain confined near the surface, where they rapidly form a metallic Ni layer that inhibits further reduction. Furthermore, these results reveal distinct atomistic pathways for CO and H 2 and provide insights that may guide metallurgical processes and catalyst design.

36 MATERIALS SCIENCE↗
NASA NTRS1997

Qualitative Flow Visualization of a 110-N Hydrogen/Oxygen Laboratory Model Thruster

The flow field inside a 110 N gaseous hydrogen/oxygen thruster was investigated using an optically accessible, two-dimensional laboratory test model installed in a high altitude chamber. The injector for this study produced an oxidizer-rich core flow, which was designed to fully mix and react inside a fuel-film sleeve insert before emerging into the main chamber section, where a substantial fuel film cooling layer was added to protect the chamber wall. Techniques used to investigate the flow consisted of spontaneous Raman spectra measurements, visible emission imaging, ultraviolet hydroxyl spectroscopy, and high speed schlieren imaging. Experimental results indicate that the oxygen rich core flow continued to react while emerging from the fuel-film sleeve, suggesting incomplete mixing of the hydrogen in the oxygen rich core flow. Experiments also showed that the fuel film cooling protective layer retained its integrity throughout the straight section of the combustion chamber. In the converging portion of the chamber, however, a turbulent reaction zone near the wall destroyed the integrity of the film layer, a result which implies that a lower contraction angle may improve the fuel film cooling in the converging section and extend the hardware lifetime.

deGroot, Wim A.↗
DOE OSTI2025

Sieving Hydrogen Isotopes via Machine Learning Assisted Chemical Vapor Deposition (CVD) of High‐Quality Monolayer Hexagonal Boron Nitride (h‐BN) on Iron Foils

Atomically thin two-dimensional (2D) ceramics, such as monolayer hexagonal boron nitride (h-BN), present potential for disruptive advances in separations. However, sub-atomic scale separation of hydrogen isotopes (H + /D + ) require near pristine 2D material membranes, and scalable synthesis of such high-quality h-BN comparable to mechanically exfoliated crystals remains a significant challenge. Here, we report a scalable Fe-catalyzed chemical vapor deposition (CVD) process for bottom-up synthesis of large-area, high-quality monolayer h-BN films, overcoming key limitations of conventional ammonia-based routes. By leveraging mechanistic insights and higher CVD temperatures, we suppress multilayer formation and achieve uniform monolayer h-BN coverage on commercially available Fe foils. Machine learning enables systematic exploration of the complex, multi-dimensional CVD parameter space (growth time, temperature, precursor temperature, multilayer faction, coverage), providing data-driven approaches to visualize and identify process regimes facilitating predominantly monolayer h-BN growth with minimal secondary nuclei/ad-layers. The optimized Fe-catalyzed CVD h-BN membranes show high-quality as observed by proton/deuteron (H + /D + ) selectivity ≈8.45, approaching the highest quality benchmark of mechanically exfoliated h-BN (H + /D + selectivity ≈10) as well as significantly outperforming Cu-catalyzed CVD h-BN membranes (H + /D + selectivity ≈3.62, control selectivity ≈1.7). Our work provides a scalable cost-effective route for high-quality monolayer h-BN synthesis for sub-atomic scale separations (H + /D + ) and demonstrates the broader potential of machine learning-guided optimization of CVD for advancing synthesis of 2D materials.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Atomic-scale quantum sensing based on the ultrafast coherence of an H 2 molecule in an STM cavity

A scanning tunneling microscope (STM) combined with a pump-probe femtosecond terahertz (THz) laser can enable coherence measurements of single molecules. We report THz pump-probe measurements that demonstrate quantum sensing based on a hydrogen (H 2 ) molecule in the cavity created with an STM tip near a surface. Atomic-scale spatial and femtosecond temporal resolutions were obtained from this quantum coherence. The H 2 acts as a two-level system, with its coherent superposition exhibiting extreme sensitivity to the applied electric field and the underlying atomic composition of the copper nitride (Cu 2 N) monolayer islands grown on a Cu(100) surface. We acquired time-resolved images of THz rectification of H 2 over Cu 2 N islands for variable pump-probe delay times to visualize the heterogeneity of the chemical environment at sub-angstrom scale.

Science & Technology - Other Topics↗
NASA NTRS1957

Steady Nuclear Combustion in Rockets

The astrophysical theory of stationary nuclear reactions in stars is applied to the conditions that would be met in the practical engineering cases that would differ from the former, particularly with respect to the much lower combustion pressures, dimensions of the reacting volume, and burnup times. This application yields maximum rates of hear production per unit volume of reacting gas occurring at about 10(exp 8) K in the cases of reactions between the hydrogen isotopes, but yields higher rates for heavier atoms. For the former, with chamber pressures of the order of 100 atmospheres, the energy production for nuclear combustion reaches values of about 10(exp 4) kilocalories per cubic meter per second, which approaches the magnitude for the familiar chemical fuels. The values are substantially lower for heavier atoms, and increase with the square of the combustion pressure. The half-life of the burnup in the fastest reactions may drop to values as low as those for chemical fuels so that, despite the high temperature, the radiated energy can remain smaller than the energy produced, particularly if an inefficiently radiating (i.e., easily completely ionized reacting material like hydrogen), is used. On the other hand, the fraction of completely ionized particles in the gases undergoing nuclear combustion must not exceed a certain upper limit because the densities (approximately 10(exp -10) grams per cubic centimeter)) lie in the range of high vacua and only for the previously mentioned fraction of nonionized particles can mean free paths be retained small enough so that the chamber diameters of several dozen meters will suffice. Under these conditions it appears that continuously maintained stable nuclear reactions at practical pressures and dimensions are fundamentally possible and their application can be visualized as energy sources for power plants and propulsion units.

Saenger, E.↗
DOE OSTI2022

Pathways to a Sustainable Aviation Ecosystem: Flight DNA: An Anonymized Aviation Data Tool and Repository

The National Renewable Energy Laboratory (NREL) has deep experience developing secure, national data repositories, which it augments with analysis, technology and market expertise, high-performance computing, and innovative data visualization. By adapting the architecture of existing mobility databases (i.e., Fleet DNA, the Transportation Secure Data Center, the National Fuel Cell Technology Evaluation Center), NREL can build a powerful aviation data clearinghouse - Flight DNA - that helps stakeholders navigate the web of pitfalls and possibilities generated by new aviation technologies.

aviation↗
DOE OSTI2024

Data-Informed Evaluation Framework for Integrated Energy Systems: Insights from Power, Process Heat, and Hydrogen Production Applications

The multi-criteria decision analysis (MCDA) framework provides a systematic evaluation of the diverse preferences and performance metrics associated with alternative solutions. This approach is advantageous over a single-criterion methodology, which are only valid under conditions that assume ceteris paribus or an "apples-to-apples" comparison. However, selecting suitable technologies for integrated energy systems (IES) can be likened to an "apples-to-oranges" comparison, given the heterogeneous factors at stake. These factors include economics and performance parameters, geological compatibility, and environmental impacts. Consequently, past research has often employed a mixture of qualitative and quantitative criteria tailored to the specific interests of each study. While the method proves effective in handling the intricate interplay of criteria, the resulting rankings and scores can vary from study to study. This inconsistency is introduced from the use of subjectively defined thresholds and weights. As a result, decision-makers frequently find it challenging to establish clear connections between specific criteria and the resulting scores, as the transformation of criteria into ordinal scores results in a substantial loss of information. To address this challenge, we introduce a data-informed IES evaluation framework that offers comprehensive, interpretable, and traceable evaluations backed by quantifiable rationale. First, we identified key IES evaluation criteria from a decade of literature, focusing on relevant IES applications in power, process heat, and hydrogen production. We leveraged state-of-the-art cost estimates from the Idaho National Laboratory (INL) and technical data from 78 reactor designs from the International Atomic Energy Agency (IAEA) and the Organization for Economic Co-operation and Development - Nuclear Energy Agency (OECD-NEA). Lastly, we established thresholds by analyzing the mean, variance, root mean square, and slope of values across alternatives, categorizing the preferences of decision-makers into distinct utility functions, such as linear, saturating, exponential, and stepwise. Our approach yielded two main outcomes: (1) it provided consistent assessments across different stakeholder groups and (2) it visualized uncertainties in the decision-making context via comprehensive sensitivity analysis. To demonstrate the impact of our framework, we conducted case studies on 6 reactor designs (AP1000, NuScale, BWRX-300, Xe-100, eVinci, iMSR) for the three applications. Our data-driven framework proved to be highly effective in addressing heterogenous uncertainties faced by varied decision-makers? preferences and IES applications, as well as cost and technical estimates of advanced reactors.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗