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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 1,117 records · Page 62
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Simulations of self- and Xe diffusivity in uranium mononitride including chemistry and irradiation effects

A combination of density functional theory and empirical potential atomic scale simulations have been used to determine a model for defect stability and mobility in uranium mononitride (UN), as a function of temperature (T) and N 2 partial pressure (p N 2 ). Using the model, predictions of hypo-stoichiometry under U-rich conditions compare favorably to CALPHAD calculations using the TAF-ID database. Furthermore, our predictions of U and N self-diffusivity are in good agreement with experiments carried out as a function of T at specific partial pressures under thermal equilibrium. The validated atomic scale data have then been implemented within a cluster dynamics method to simulate irradiation-enhanced defect concentrations. All defects and clusters studied have significantly enhanced concentrations, with respect to thermal equilibrium, as T is lowered. The irradiation-enhanced Xe diffusivity is compared to post-irradiation annealing and in-pile experiments. In conclusion, the contributions of various defects and clusters to non-stoichiometry, self-diffusivity, and Xe diffusivity are discussed.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
NASA NTRS1984

Kinetics of thermal donor generation in silicon

The generation kinetics of thermal donors at 450 C in Czochralski-grown silicon was found to be altered by high-temperature preannealing (e.g., 1100 C for 30 min). Thus, when compared with as-grown Si, high-temperature preannealed material exhibits a smaller concentration of generated thermal donors and a faster thermal donor saturation. A unified mechanism of nucleation and oxygen diffusion-controlled growth (based on solid-state plate transformation theory) is proposed to account for generation kinetics of thermal donors at 450 C, in as-grown and high-temperature preannealed Czochralski silicon crystals. This mechanism is consistent with the main features of the models which have been proposed to explain the formation of oxygen thermal donors in silicon.

Mao, B.-Y.↗
DOE OSTI2024

Robust Dissimilar Metal Friction Welded Spool for Enhanced Capability for Steam Power Components (Final Program Report)

This project successfully demonstrated the feasibility and advantages of producing durable, friction-welded dissimilar-metal spools, both with and without transition pieces, as well as the use of advanced oxidation-protective coatings for steam power applications. The work encompassed the optimization and full-scale production of NFA tubing, overcoming manufacturing and processing challenges to achieve enhanced strength, creep, and fatigue properties validated by extensive microstructural characterization. Optimized welding techniques were developed and refined for joining dissimilar materials, resulting in defect-free welds optimized for both low- and high-pressure boiler circuits. Systematic evaluation of welding parameters, coupled with heat treatments, ensured reliable performance and minimized weld defects such as banding and cracking. Comprehensive mechanical and non-destructive testing, including tensile, bend, fatigue, and CT scanning, confirmed the superior integrity and durability of the friction-welded joints under representative service conditions. To address oxidation-related degradation, a range of protective alloy coatings—such as IN625, APMT, Duplex 2507, and FeCrAlY—were selected and evaluated for their ability to counteract oxide notch formation at dissimilar metal interfaces. These coatings demonstrated improved oxidation resistance and long-term stability under thermal cycling, thereby extending weld service life. Thermal cyclic testing and long-term studies captured the phase stability and diffusion behavior of coated and uncoated configurations. Validated models for low-cycle fatigue (LCF), creep, and thermal mechanical fatigue (TMF) were developed to predict component life and failure modes. These models confirmed that friction-welded configurations exhibited significantly enhanced performance compared to conventional gas-tungsten arc welding (GTAW), with up to 7× improvement in creep resistance and at least 2× enhancement in fatigue properties. The introduction of a tailored transition piece further reduced thermally induced strains, enhancing fatigue life. The results demonstrate a robust pathway for retrofitting existing steam fleet components and upgrading future equipment to deliver substantially improved cold-start cycling behavior and reduction of unplanned outages due to premature weld failures.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Creating Favorable Pt/Co Interfaces via a Two‐Step Approach for Constructing Highly Durable PtCo Intermetallic Fuel Cell Catalysts

Structurally ordered PtCo intermetallics are one of the most promising oxygen-reduction catalysts in proton exchange membrane fuel cells (PEMFCs) due to their intrinsically improved catalytic activity and stability relative to PtCo solid-solution alloys. However, increasing the heating temperature to achieve a desirable high degree of ordering results in severe particle agglomeration and low mass activity and stability. Herein, a two-step synthesis approach is developed to create an L1 2 -Pt 3 Co intermetallic structure with an increased ordering degree and well-dispersed ultrafine particles. The first step of the synthesis yields ultrafine Pt nanoparticles that are well-dispersed on the ZIF-8-derived carbon support. The second adsorption step enables us to fine-tune the Pt and Co interfaces, assisted by optimal amino acids, to establish a favorable Co-rich environment around fine Pt nanoparticles, facilitating Co diffusion into the Pt crystalline under mild thermal conditions (<800 °C). In conclusion, this two-step ordered L1 2 -Pt 3 Co catalyst is systematically evaluated using membrane electrode assemblies under heavy-duty vehicle (HDV) conditions and demonstrated exceptional performance and durability, retaining 1.35 A cm -2 only a 7% loss in current density at 0.7 V after an extensive accelerated stress test of 150,000 voltage cycles.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2023

Polymer electrolytes based on protic ionic liquids with perfluorinated anions for safe lithium-ion batteries

Here, the quest for safe and high-performance polymer electrolytes in lithium-ion batteries (LIBs) has led researchers to explore protic ionic liquids (PILs) as potential candidates to be entrapped in polymer matrices. In this context, we present an investigation into solid polymeric systems based on poly(methyl methacrylate) (PMMA) as a host for PILs, featuring 1,8-diazabicyclo-[5,4,0]-undec-7-ene (DBU) cation paired with three different anions: bis(trifluoromethanesulfonyl)imide (TFSI – ), trifluoromethanesulfonate (TFO – ), and (trifluoromethanesulfonyl-nonafluorobutylsulfonyl)imide (IM14 – ). Additionally, we explore the lithium-doped IM14-gel-like system to broaden our understanding of these intriguing materials. Through comprehensive thermal analysis, solid-state NMR, and diffusion NMR techniques, we delve into the interactions and structural features of these binary and ternary polymeric systems. Our investigation reveals unique dynamics and ion interactions within the PMMA matrix, shedding light on the potential of these materials for advanced energy storage technologies. Particularly, we highlight the distinctive features of DBUH-IM14 and its specific interaction with the polymeric matrix and the lithium ions, underscoring its significance in advancing safer and more efficient energy storage devices.

25 ENERGY STORAGE↗
DOE OSTI2022

Understanding the E balance for water management in hydroxide exchange membrane fuel cells

As a key challenge for hydroxide exchange membrane fuel cells (HEMFCs), understanding water management deeply is critical for performance and durability improvement. Here, in this work, we show that the balance between water generation and phase-change-induced (PCI) flow is the main factor controlling cell voltage over a wide range of conditions where the cells are vulnerable to severe flooding. The regulation of flooding by heat generation can be reflected by a stable voltage with increase of current density in the polarization curve. This PCI balance voltage (E balance ), which determines the shape of polarization curve, is modeled as a function of cell operating conditions and gas diffusion layer (GDL) properties. Temperature, pressure, and thermal conductivity of GDL were found important for tuning the level of E balance , both in HEMFCs and proton exchange membrane fuel cells. The understanding of E balance will help to generate strategies for resolving flooding in HEMFCs, and it offers a new perspective for polarization curve interpretation.

25 ENERGY STORAGE↗
DOE OSTI2025

Ohmic contacts to nitrogen-incorporated n-type ultrananocrystalline diamond film grown on intrinsic single crystal diamond substrate

Nitrogen-incorporated ultrananocrystalline diamond (n-UNCD) films offer tremendous potential for diverse electronic applications. However, the absence of a reliable Ohmic contact at room temperature limits their practical integration and broader applicability. Here, in this study, we investigate the room temperature specific contact resistivity (ρ c ) of Ti/Pt/Au metal stack deposited on n-UNCD films grown on an intrinsic single crystal diamond substrate using a microwave plasma chemical vapor deposition system. We employ a circular transfer length model (c-TLM) and find the room temperature ρ c to be ∼4.67 × 10 −5 Ω cm 2 , which is among the lowest reported value for n-UNCD films. High temperature vacuum annealing conducted at 700 and 800 °C results in an initial improvement, followed by a minor degradation in ρ c values, respectively. The electrical contacts remain highly Ohmic for all measurements. Furthermore, cross-sectional transmission electron microscopy analysis suggests formation of conductive titanium carbide layer with no significant inter metallic diffusion. Overall, the electrical contacts demonstrate robust thermal stability, both of which are critical for attaining high-performance nanocrystalline diamond-based electronic devices.

Low resistance contacts↗
DOE OSTI2025

Plasma instabilities dominate radioactive transients magnetic fields: the self-confinement of leptons in Type Ia and core-collapse supernovae, and kilonovae

The light curves of radioactive transients, such as supernovae and kilonovae, are powered by the decay of radioisotopes, which release high-energy leptons through $\beta ^+$ and $\beta ^-$ decays. These leptons deposit energy into the expanding ejecta. As the ejecta density decreases during expansion, the plasma becomes collisionless, with particle motion governed by electromagnetic forces. In such environments, strong or turbulent magnetic fields are thought to confine particles, though the origin of these fields and the confinement mechanism have remained unclear. Using fully kinetic particle-in-cell (PIC) simulations, we demonstrate that plasma instabilities can naturally confine high-energy leptons. These leptons generate magnetic fields through plasma streaming instabilities, even in the absence of pre-existing fields. The self-generated magnetic fields slow lepton diffusion, enabling confinement, and transferring energy to thermal electrons and ions. Our results naturally explain the positron trapping inferred from late-time observations of thermonuclear and core-collapse supernovae. Furthermore, they suggest potential implications for electron dynamics in the ejecta of kilonovae. We also estimate synchrotron radio luminosities from positrons for Type Ia supernovae and find that such emission could only be detectable with next-generation radio observatories from a Galactic or local-group supernova in an environment without any circumstellar material.

instabilities↗
NASA NTRS1972

Gas-core reactor power transient analysis

The gas core reactor is a proposed device which features high temperatures. It has applications in high specific impulse space missions, and possibly in low thermal pollution MHD power plants. The nuclear fuel is a ball of uranium plasma radiating thermal photons as opposed to gamma rays. This thermal energy is picked up before it reaches the solid cavity liner by an inflowing seeded propellant stream and convected out through a rocket nozzle. A wall-burnout condition will exist if there is not enough flow of propellant to convect the energy back into the cavity. A reactor must therefore operate with a certain amount of excess propellant flow. Due to the thermal inertia of the flowing propellant, the reactor can undergo power transients in excess of the steady-state wall burnout power for short periods of time. The objective of this study was to determine how long the wall burnout power could be exceeded without burning out the cavity liner. The model used in the heat-transfer calculation was one-dimensional, and thermal radiation was assumed to be a diffusion process.

Kascak, A. F.↗
NASA NTRS1974

Slip conditions with wall catalysis and radiation for multicomponent, nonequilibrium gas flow

The slip conditions for a multicomponent mixture with diffusion, wall-catalyzed atom recombination and thermal radiation are derived, and simplified expressions for engineering applications are presented. The gas mixture may be in chemical nonequilibrium with finite-rate catalytic recombination occurring on the wall. These boundary conditions, which are used for rarefied flow regime flow field calculations, are shown to be necessary for accurate predictions of skin friction and heat transfer coefficients in the rarefied portion of the space shuttle trajectory.

Hendricks, W. L.↗
NASA NTRS1975

A similarity solution of the Navier-Stokes equations with wall catalysis and slip for hypersonic, low Reynolds number flow over spheres

The slip conditions for a multicomponent mixture with diffusion, wall-catalyzed atom recombination and thermal radiation are derived. The more realistic multicomponent species slip conditions are shown to be necessary for accurate merged shock layer solutions on a sphere. These slip conditions are used in a first-order similarity solution of the Navier-Stokes equations with nonequilibrium chemistry for the merged shock layer. Results of this quick numerical solution are compared with a time dependent solution around the sphere and with measured arc jet results at low Reynolds numbers. The similarity solution, unlike the time dependent solution, shows smooth radial profiles of the pressure and smooth variations of velocity slip, skin friction, temperature slip and heat transfer around the body. The present first-order similarity solution is valid up to 25 deg from the stagnation point and takes less than 1% of the computer time to run a time dependent scheme. The smaller stand-off distance obtained from the similarity solution is supported by experimental data. The measured heat flux is closer to the similarity solution than the time dependent method at the stagnation point and shows the proper variation with circumferential angle up to at least 40 deg.

Hendricks, W. L.↗
NASA NTRS1977

Three-band observations of the soft X-ray background and some implications of thermal emission models

The galactic component of the very soft diffuse X-ray background in three bands, covering the energy ranges of approximately 100 to 188 eV, 150 to 284 eV, and 500 to 850 eV, is mapped primarily at middle and low galactic latitudes. Intense regions on the maps are identified, and the dissimilarity of the three maps is shown to indicate spectral as well as intensity variations over the sky. Three emission-mechanism models involving hot gas at a single temperature are examined, a multitemperature model is found to be required, and several such models based on hot gas in a steady state or in equilibrium are considered. The problem of overpressure raised by Shapiro and Field (1976) is briefly discussed.

Burstein, P.↗
NASA NTRS1982

A middle and upper tropospheric cloud model

The interplay of the various physical processes involved in the formation, maintenance, and decay of middle and upper tropospheric stratiform clouds is discussed. Ice phase fair weather cloud forms are considered. Simulations of cirriform clouds which attempt to incorporate the physical processes in an interactive manner were performed. A two dimensional time dependent Eulerian numerical model, which incorporates all of the important physical processes in a simplified way, is employed to investigate the role of these processes in the evolution of a cloud in an isolated atmospheric layer. Physical parameters considered are the eddy viscosity and the thermal, water vapor, and ice water eddy diffusivities.

Source record↗
NASA NTRS1985

A cosmic ray driven instability

The interaction between energetic charged particles and thermal plasma which forms the basis of diffusive shock acceleration leads also to interesting dynamical phenomena. For a compressional mode propagating in a system with homogeneous energetic particle pressure it is well known that friction with the energetic particles leads to damping. The linear theory of this effect has been analyzed in detail by Ptuskin. Not so obvious is that a non-uniform energetic particle pressure can addition amplify compressional disturbances. If the pressure gradient is sufficiently steep this growth can dominate the frictional damping and lead to an instability. It is important to not that this effect results from the collective nature of the interaction between the energetic particles and the gas and is not connected with the Parker instability, nor with the resonant amplification of Alfven waves.

Dorfi, E. A.↗
NASA NTRS1985

Solutal Convection and Its Effects on Crystal Growth and Segregation in Binary and Pseudo-Binary System with Large Liquidus-Solidus Separation

This research program is composed of theoretical and experimental studies of solutal convection and its effects on crystal growth and segregation in binary and pseudo-binary systems with large liquidus-solidus separation. The theoretical program has resulted in the development of a transient simulation of the growth of concentrated alloys in microgravity and has been used to study the dynamics of GeSi, PbSnTe, HgCdTe growth. Finite element analysis has also been developed for studying the interactions of buoyancy-driven convection in the melt caused by temperature and concentration variations with melt-solid interface morphology and alloy segregation in the grown crystal. These calculations are being compared directly to experimental measurements of segregation and interface shape for GeSi growth and GaGe growth. The results for SiGe indicate that careful design of the thermal system can result in almost diffusion-controlled growth on Earth because of the stablizing influence of the concentration gradient ahead of the solidification front.

Brown, R. A.↗
NASA NTRS1986

Method of fabricating an imaging X-ray spectrometer

A process for fabricating an X-ray spectrometer having imaging and energy resolution of X-ray sources is discussed. The spectrometer has an array of adjoinging rectangularly shaped detector cells formed in a silicon body. The walls of the cells are created by laser drilling holes completely through the silicon body and diffusing n(+) phosphorous doping material therethrough. A thermally migrated aluminum electrode is formed centrally through each of the cells.

Alcorn, G. E.↗
NASA NTRS1991

MOCVD of GaAs in a horizontal reactor - Modeling and growth

A two-dimensional model for metalorganic chemical vapor deposition of GaAs in a horizontal reactor is presented. The model is characterized by the following parameters: reactor geometry and operating pressure, thermal boundary conditions, ratio of reactants, chemical reactions, total inlet gas flow rate, as well as molecular weights, thermal conductivities, heat capacities, viscosities, and binary diffusion coefficients of the gas-phase species. Film thickness profiles predicted by the model are compared with those of GaAs thin films grown in the modeled reactor. Results obtained show a good agreement between the predictions and data over the entire length of the deposition region for the low pressure and high flow rate run. Attention is also given to the reactor design and growth conditions.

Clark, Ivan O.↗