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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 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Anomalous Anisotropic Nanoparticle Aggregation in Cu 2 (OH) 3 Br Gels

Aerogels are of interest for their ability to uniformly incorporate nanoscale features into macroscopic assemblies, which enabled applications that require low density, high surface area, and/or bicontinuous networks. The structure of the nanoporous network is intrinsically linked to the macroscopic properties of aerogels. Hence, control of this structure is of paramount importance. Small-angle X-ray scattering (SAXS) is used here to monitor nanoparticle aggregation in situ in Cu 2 (OH) 3 Br aerogels formed via epoxide-assisted gelation. Anomalous anisotropic aggregation is observed in the absence of templating agents and is attributed to the molecular structure of the inorganic nanoparticles themselves. This is a fundamental departure from the models currently used to describe traditional inorganic sol–gel chemistry where nanoparticles are believed to undergo isotropic diffusion- and/or kinetically limited aggregation. Time-resolved SAXS indicates that Cu 2 (OH) 3 Br nanoparticles nucleate rapidly from solution to form unbranched chain-like aggregates rather than branched mass-fractal aggregates. Sizes of primary particles (~1.5 nm) and the chain-like structure of their aggregates are independent of particle concentration (gel density), while rates of particle aggregation, gelation time, and aggregate size are strongly dependent upon particle concentration, which implies that the chemistry of particle formation and the physics of particle aggregation are independent processes. Because the conditions necessary for creating anisotropic structures are not unique to Cu 2 (OH) 3 Br, these results could provide insight into the structure and gelation mechanisms of other inorganic aerogels.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Development of Machine-Learned Interatomic Potentials to Predict Structure, Transport, and Reactivity in Platinum-Based Fuel Cells

Machine-learned interatomic potentials (MLIPs) have rapidly progressed in accuracy, speed, and data efficiency in recent years. However, training robust MLIPs in multicomponent systems remains a challenge. In this work, we train an MLIP to describe hydrated Nafion ionomers and platinum catalysts, which are important components of fuel cells, by constructing a diverse training set to describe the bulk polymer and interfacial catalyst–polymer interactions well. We use our trained MLIP to study the properties of the platinum–Nafion system, including polymer structure, proton mobility in a bulk Nafion polymer and near a platinum-Nafion interface, and reactions near and far from the interface, finding excellent results for structure and reactions contained within our training set. Transport seems to be well described, with both vehicular transport and Grotthuss hopping captured, although converged calculations of diffusivities were not computed because they require calculations of tens of nanoseconds that are challenging with current state-of-the-art MLIPs. The combined insights that this model provides can be leveraged to optimize fuel cell performance, and the approach can be applied to other chemical processes and devices where structure, transport, and reactivity all contribute to the overall observed performance.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2024

Stable Pentagonal Layered Palladium Diselenide Enables Rapid Electrosynthesis of Hydrogen Peroxide

Electrosynthesis of hydrogen peroxide (H 2 O 2 ) via the two-electron oxygen reduction reaction (2e – ORR) is promising for various practical applications, such as wastewater treatment. However, few electrocatalysts are active and selective for 2e – ORR yet are also resistant to catalyst leaching under realistic operating conditions. Here, a joint experimental and computational study reveals active and stable 2e – ORR catalysis in neutral media over layered PdSe 2 with a unique pentagonal puckered ring structure type. Computations predict active and selective 2e – ORR on the basal plane and edge of PdSe 2 , but with distinct kinetic behaviors. Further, electrochemical measurements of hydrothermally synthesized PdSe 2 nanoplates show a higher 2e – ORR activity than other Pd–Se compounds (Pd 4 Se and Pd 17 Se 15 ). PdSe 2 on a gas diffusion electrode can rapidly accumulate H 2 O 2 in buffered neutral solution under a high current density. The electrochemical stability of PdSe 2 is further confirmed by long device operational stability, elemental analysis of the catalyst and electrolyte, and synchrotron X-ray absorption spectroscopy. This work establishes a new efficient and stable 2e – ORR catalyst at practical current densities and opens catalyst designs utilizing the unique layered pentagonal structure motif.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Complete quasilinear model for the acceleration-driven lower hybrid drift instability and a computational assessment of its validity

A complete quasilinear model is derived for the electrostatic acceleration-driven lower hybrid drift instability in a uniform two-species low-beta plasma in which current is perpendicular to the background magnetic field. The model consists of coupled nonlinear velocity space diffusion equations for the volume-averaged ion and electron distribution functions. Each species' diffusion coefficient depends on a time-evolving spectral density of the electric-field energy per unit volume and a time-evolving dispersion relation. The dispersion relation is expressed analytically in integral form without the use of asymptotic limits and applies to arbitrary distribution functions, so long as they can be expressed as a function of one velocity coordinate, e.g., f⁡(vy) or f⁡(v⊥). The quasilinear model conserves energy and is complete in that it fully describes the evolution of the distribution functions, including resonant and nonresonant particle-wave interactions, while accounting for distribution-function-dependent mixed-complex frequencies. Further, the quasilinear diffusion model is solved numerically and self-consistently using a Crank-Nicolson temporal discretization and a second-order finite-volume velocity-space discretization. Numerical solutions are compared to nonlinear fourth-order accurate continuum kinetic Vlasov-Poisson simulations. Evolution of electric-field energy, growth rates, distribution functions, and diffusion coefficients are shown to be in agreement with Vlasov simulations. The quasilinear model is shown to predict anomalous transport terms, like resistivity and heating, to within a factor of order unity. Discrepancies between the quasilinear model and Vlasov simulations are assessed and attributed primarily to lack of damping in the quasilinear description and to the use of unperturbed-orbit susceptibilities in the linear theory dispersion relation. The results illuminate the predictive accuracy of the quasilinear model, place approximate bounds on its validity, and provide much needed vetting of quasilinear theory's ability to predict the nonlinear state of a microturbulent plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Improved Contacts for Tandem Cells with Enhanced Effciency Grown by D-HVPE

Dynamic hydride vapor phase epitaxy (D-HVPE) has provided a potential route towards lower cost material growth of III-V photovoltaic devices. A highly doped Ga0.5In0.5P emitter layer is grown in attempt to force passivation at the front of the cell to account for the absence of a suitable window layer in our reactor. Control over dopant diffusion in these materials is thus critical to achieving high-efficiency device performance. Here, we institute a two-step contact layer design that boosts tandem cell efficiencies by minimizing Se diffusion into the underlying emitter layer while still providing sufficiently low contact resistance. Short-circuit current in these devices improves to 8.9 mA/cm2 in an uncoated GaInP/GaAs cell, an improvement of 1.2 mA/cm2 over our previous best cell. Conversion efficiency with the new contact doping scheme is projected to be ~27% with the inclusion of a standard ARC layer.

27 ARPA - Advanced Research Projects Agency-Energy↗
DOE OSTI2024

Assessing Nonlinear Polarization in Electrochemical Cells using AC Impedance Spectroscopy

AC impedance spectroscopy is widely used to evaluate performance limitations in energy storage and conversion devices (e.g., batteries, supercapacitors, and fuel cells). This work shows that integrating the resistive elements in an equivalent circuit as functions of steady-state current enables one to recover overpotentials associated with different processes (e.g., ion migration, charge transfer, and diffusion) in nonlinear electrochemical power supplies. Closed form expressions for diffusion overpotentials are derived using this method for transmissive and reflective boundary conditions and three electrode symmetries (planar, cylindrical, and spherical). Discussion is also extended to macroscopically homogenous porous electrodes which are relevant for most real-world devices. Overall, the approach described herein is a powerful tool to identify rate-limiting steps and guide material/component design.

25 ENERGY STORAGE↗
DOE OSTI2021

Ultrasonic Thermometer Sticking Mitigation Assessment

Ultrasonic thermometers have potential to improve on current technologies for very high temperature measurements. One issue limiting their adoption is the formation of diffusion bonds between the acoustic waveguide used as the sensor, and its surroundings (in some cases, a protective sheath). Several potential methods for reducing this diffusion bonding (known as sticking) have been identified. Prototype ultrasonic thermometers were fabricated and tested to high temperatures in order to evaluate these methods. Several showed promise for low temperature use. The most promising option was 3-D printed ceramic spacers.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS1975

Gamma ray astronomy

A survey of the instruments developed for gamma ray astronomy is given together with a brief summary of the current status of the observational results. These include the studies of galactic gamma ray emission, the diffuse, presumably extragalactic, gamma radiation, and localized gamma ray sources. The study of the spatial distribution of galactic gamma radiation is beginning to provide a new means for the study of galactic structure and dynamics. The diffuse emission may provide evidence of gamma ray emission in the cosmological past, although improved observations must be obtained before the picture can be clarified. The study of localized sources has shown NP0532, the Crab radio pulsar, to be a gamma ray pulsar also and strong emission from Vela may be due to supernova produced cosmic rays interacting with the remnant gas.

Kniffen, D.↗
NASA NTRS1976

Anomalous resistivity resulting from electrostatic ion cyclotron turbulence

The paper considers the generation of electrostatic ion cyclotron turbulence in an isothermal isotropic magnetized plasma where the drift velocity is below that of the ion-acoustic threshold. The saturated turbulence spectrum is found to be that which results from anomalous nonlinear wave damping related to stochastic ion-orbit diffusion in configuration space. An expression is obtained for the collective electrical resistivity resulting from current-driven electrostatic ion cyclotron turbulence.

Ionson, J. A.↗
NASA NTRS1980

Numerical studies of new stellarator concepts

A three-dimensional computer code has been developed to study the magnetohydrodynamic equilibrium and stability of a diffuse or sharp boundary plasma in toroidal geometry. It is shown how equilibria with net toroidal current identically zero can be determined and how growth rates of instabilities can be calculated. Applications are made to an l = 2, 3 stellarator configuration that offers the possibility of achieving a critical value as high as 10% for the plasma parameter

Bauer, F.↗
NASA NTRS1984

Diffused junction p(+)-n solar cells in bulk GaAs. I Fabrication and cell performance

This paper describes the fabrication of solar cells made by a simple open tube p(+)-diffusion into bulk n-GaAs. In addition, cell performance is provided as an indicator of the quality of bulk GaAs for this application. Initial results using this technique (12.2 percent efficiency at AM1 for 0.5 sq cm cells) are promising, and indicate directions for materials improvement. It is shown that the introduction of the diffusant (zinc) with point defects significantly affects the material properties and results in an increase in current capability.

Bhat, I.↗
NASA NTRS1988

The Spartan-281 Far Ultraviolet Imaging Spectrograph

The U.S. Naval Research Laboratory's Far Ultraviolet Imaging Spectrograph (FUVIS), currently under development for flight as a Spartan shuttle payload, is designed to perform spectroscopy of diffuse sources in the FUV with very high sensitivity and moderate spatial and spectral resolution. Diffuse nebulae, the general galactic background radiation, and artificially induced radiation associated with the Space Shuttle vehicle are sources of particular interest. The FUVIS instrument will cover the wavelength range of 970-2000 A with selectable resolutions of 5 and 30 A. It is a slit imaging spectrograph having 3 arcmin spatial resolution along its 2.7 deg long slit.

Carruthers, George R.↗
NASA NTRS1989

Advances and directions of ion nitriding/carburizing

Ion nitriding and carburizing are plasma activated thermodynamic processes for the production of case hardened surface layers not only for ferrous materials, but also for an increasing number of nonferrous metals. When the treatment variables are properly controlled, the use of nitrogenous or carbonaceous glow discharge medium offers great flexibility in tailoring surface/near-surface properties independently of the bulk properties. The ion nitriding process has reached a high level of maturity and has gained wide industrial acceptance, while the more recently introduced ion carburizing process is rapidly gaining industrial acceptance. The current status of plasma mass transfer mechanisms into the surface regarding the formation of compound and diffusion layers in ion nitriding and carbon build-up ion carburizing is reviewed. In addition, the recent developments in design and construction of advanced equipment for obtaining optimized and controlled case/core properties is summarized. Also, new developments and trends such as duplex plasma treatments and alternatives to dc diode nitriding are highlighted.

Spalvins, Talivaldis↗
NASA NTRS1993

Use of Spectralon as a diffuse reflectance standard for in-flight calibration of earth-orbiting sensors

Spectralon, a commercially available diffuse reflectance material made from polytetrafluoroethylene (PTFE), is being evaluated for the multiangle imaging spectroradiometer (MISR), currently under development for the Earth Observing System. Results of a series of environmental exposure tests indicate that no degradation of the optical properties was apparent following proton bombardment, and stability through UV illumination was satisfactory, provided simple cleaning and handling procedures were implemented. A buildup of several thousand volts of static charge was found to develop while simulating a rare pass through an auroral storm.

Bruegge, Carol J.↗
NASA NTRS2006

Effect of EMIC Wave Normal Angle Distribution on Relativistic Electron Scattering

The flux level of outer-zone relativistic electrons (above 1 MeV) is extremely variable during geomagnetic storms, and controlled by a competition between acceleration and loss. Precipitation of these electrons due to resonant pitch-angle scattering by electromagnetic ion cyclotron (EMIC) waves is considered one of the major loss mechanisms. This mechanism was suggested in early theoretical studies more than three decades ago. However, direct experimental evidence of the wave role in relativistic electrons precipitation is difficult to obtain because of lack of concurrent measurements of precipitating electrons at low altitudes and the waves in a magnetically conjugate equatorial region. Recently, the data from balloon-borne X-ray instruments provided indirect but strong evidence on an efficiency of the EMIC wave induced loss for the outer-zone relativistic electrons. These observations stimulated theoretical studies that, particularly, demonstrated that EMIC wave induced pitch-angle diffusion of MeV electrons can operate in the strong diffusion limit and this mechanism can compete with relativistic electron depletion caused by the Dst effect during the initial and main phases of storm. Although an effectiveness of relativistic electron scattering by EMIC waves depends strongly on the wave spectral properties, the most favorable assumptions regarding wave characteristics has been made in all previous theoretical studies. Particularly, only quasi field-aligned EMIC waves have been considered as a driver for relativistic electron loss. At the same time, there is growing experimental and theoretical evidence that these waves can be highly oblique; EMIC wave energy can occupy not only the region of generation, i.e. the region of small wave normal angles, but also the entire wave normal angle region, and even only the region near 90 degrees. The latter can dramatically change he effectiveness of relativistic electron scattering by EMIC waves. In the present study, we calculate the pitch-angle diffusion coefficients using the typical wave normal distributions obtained from our self-consistent ring current-EMIC wave model, and try to quantify the effect of EMIC wave normal angle characteristics on relativistic electron scattering.

Gamayunov, K. V.↗
DOE OSTI2020

Polarizabilities of neutral atoms and atomic ions with a noble gas electron configuration

Atomic polarizabilities play an important role in the development of force fields for molecular simulations, as well as for the development of qualitative concepts of atomic and molecular behavior. Coupled cluster theory at the coupled cluster singles doubles triples level with very large correlation-consistent basis sets with extended diffuse functions has been used to predict the polarizabilities of the atomic neutrals, mono-cations and mono-anions with a noble gas configuration. Additional corrections for scalar relativistic and spin–orbit effects were also included for the electron configurations of Kr, Xe, and Rn. The results are in excellent agreement with experiment or with other high level calculations where available. The current results for most of these species represent the best available values for the polarizabilities. The results show that the polarizability of H - is very difficult to calculate without extremely diffuse functions. The polarizability of H - is the largest value, 34.05 Å 3 , calculated for all species in the current study. The polarizabilities of the remaining halogen anions are also the best available values. The polarizabilities of the halogen anions (excluding F - ) and H - have a linear correlation with the electron affinity of the neutral atom. Spin– orbit effects, even for closed shell species, cannot be ignored for quantitative accuracy, and the inclusion of spin–orbit effects for Fr + , Rn, and At - increases the polarizability by 4%, 6%, and 15%, respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1984

Process Research on Polycrystalline Silicon Material (PROPSM)

Results of hydrogen-passivated polycrystalline silicon solar cells are summarized. Very small grain or short minority-carrier diffusion length silicon was used. Hydrogenated solar cells fabricated from this material appear to have effective minority-carrier diffusion lengths that are still not very long, as shown by the open-circuit voltages of passivated cells that are still significantly less than those of single-crystal solar cells. The short-circuit current of solar cells fabricated from large-grain cast polycrystalline silicon is nearly equivalent to that of single-crystal cells, which indicates long bulk minority-carrier diffusion length. However, the open-circuit voltage, which is sensitive to grain boundary recombination, is sometimes 20 to 40 mV less. The goal was to minimize variations in open-circuit voltage and fill-factor caused by defects by passivating these defects using a hydrogenation process. Treatments with molecular hydrogen showed no effect on large-grain cast polycrystaline silicon solar cells.

Culik, J. S.↗
DOE OSTI2026

Implications of a two-fluid heat diffusion model for RF condensation effects in magnetic islands

Theoretical calculations have predicted an “RF condensation” effect through which the temperature perturbation and current drive may be nonlinearly enhanced in electron cyclotron (EC) heated magnetic islands. Previously, two-fluid effects had been neglected in the OCCAMI code used to model RF condensation. For realistic experimental conditions, we show that two-fluid effects in an EC heated plasma may have a major impact on RF condensation. Less collisional plasmas, where electron and ion temperatures are decoupled, exhibit an enhanced linear temperature perturbation in the island, and an even stronger nonlinear enhancement of the perturbed temperature. This can occur even when nonlinear effects are small in the single-fluid limit. We also calculate corresponding hysteresis effects. Finally, we demonstrate that other physical effects, including the rotation of the magnetic island and the Gaussian spread of the beam from a gyrotron, can significantly decrease the predicted observable RF condensation effect.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗