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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Microstructure and heteroatom dictate the doping mechanism and thermoelectric properties of poly(alkyl-chalcogenophenes)

Heteroatom substitution can favorably alter electronic transport in conductive polymers to improve their thermoelectric performance. Here we report the spectroscopic, structural, and thermoelectric properties of poly(3–(3',7'-dimethyloctyl) chalcogenophenes) or P3RX doped with 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (F4TCNQ), where the heteroatom [X = thiophene (T), selenophene (Se), tellurophene (Te)], the doping methodology, and extent of doping are systematically varied. Spectroscopic measurements reveal that while all P3RX polymers are appreciably doped, the doping mechanism is inherently different. Poly(3-hexylthiophene) (P3HT, used as a control) and poly(3–(3',7'-dimethyloctyl)tellurophene) (P3RTe) are doped primarily via integer charge transfer (ICT), whereas poly(3–(3',7'-dimethyloctyl)selenophene) (P3RSe) and poly(3–(3',7'-dimethyloctyl)thiophene) (P3RT) are doped via charge transfer complex (CTC) mechanisms. Despite these differences, all polymers saturate with roughly the same number of F4TCNQ counterions (1 dopant per 4 to 6 heterocycles), reinforcing the idea that the extent of charge transfer varies with the doping mechanism. Grazing incidence wide-angle x-ray scattering measurements provide insight into the structural driving forces behind different doping mechanisms—P3RT and P3RSe have similar microstructures in which F4TCNQ intercalates between the π-stacked backbones resulting in CTC doping (localized carriers), while P3HT and P3RTe have microstructures in which F4TCNQ intercalates in the alkyl side chain region, giving rise to ICT doping (delocalized carriers). These structural and spectroscopic observations shed light on why P3HT and P3RTe obtain electrical conductivities ca. 3 S/cm, while P3RT and P3RSe have conductivities <10–3 S/cm under the same thin film processing conditions. Ultimately, this work quantifies the effects of heteroatom, microstructural ordering, extent of doping, and doping mechanism, thereby providing rational guidance for designing future thermoelectric polymer-dopant systems.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Systems Analysis of NADH Dehydrogenase Mutants Reveals Flexibility and Limits of Pseudomonas taiwanensis VLB120’s Metabolism

Obligate aerobic organisms rely on a functional electron transport chain for energy conservation and NADH oxidation. Because of this essential requirement, the genes of this pathway are likely constitutively and highly expressed to avoid a cofactor imbalance and energy shortage under fluctuating environmental conditions. In this work, we investigated the essentiality of the three NADH dehydrogenases of the respiratory chain of the obligate aerobe Pseudomonas taiwanensis VLB120 and the impact of the knockouts of corresponding genes on its physiology and metabolism. While a mutant lacking all three NADH dehydrogenases seemed to be nonviable, the single or double knockout mutant strains displayed no, or only a weak, phenotype. Only the mutant deficient in both type 2 dehydrogenases showed a clear phenotype with biphasic growth behavior and a strongly reduced growth rate in the second phase. In-depth analyses of the metabolism of the generated mutants, including quantitative physiological experiments, transcript analysis, proteomics, and enzyme activity assays revealed distinct responses to type 2 and type 1 dehydrogenase deletions. An overall high metabolic flexibility enables P. taiwanensis to cope with the introduced genetic perturbations and maintain stable phenotypes, likely by rerouting of metabolic fluxes. This metabolic adaptability has implications for biotechnological applications. While the phenotypic robustness is favorable in large-scale applications with inhomogeneous conditions, the possible versatile redirecting of carbon fluxes upon genetic interventions can thwart metabolic engineering efforts. While Pseudomonas has the capability for high metabolic activity and the provision of reduced redox cofactors important for biocatalytic applications, exploitation of this characteristic might be hindered by high, constitutive activity of and, consequently, competition with the NADH dehydrogenases of the respiratory chain. The in-depth analysis of NADH dehydrogenase mutants of Pseudomonas taiwanensis VLB120 presented here provides insight into the phenotypic and metabolic response of this strain to these redox metabolism perturbations. This high degree of metabolic flexibility needs to be taken into account for rational engineering of this promising biotechnological workhorse toward a host with a controlled and efficient supply of redox cofactors for product synthesis.

36 MATERIALS SCIENCE↗
NASA NTRS1989

Solid state photomultiplier for astronomy, phase 2

Epitaxial layers with varying donor concentration profiles were grown on silicon substrate wafers using chemical vapor deposition (CVD) techniques, and solid state photomultiplier (SSPM) devices were fabricated from the wafers. Representative detectors were tested in a low background photon flux, low temperature environment to determine the device characteristics for comparison to NASA goals for astronomical applications. The SSPM temperatures varied between 6 and 11 K with background fluxes in the range from less than 5 x 10 to the 6th power to 10 to the 13th power photons/square cm per second at wavelengths of 3.2 and 20 cm. Measured parameters included quantum efficiency, dark count rate and bias current. Temperature for optimal performance is 10 K, the highest ever obtained for SSPMs. The devices exhibit a combination of the lowest dark current and highest quantum efficiency yet achieved. Experimental data were reduced, analyzed and used to generate recommendations for future studies. The background and present status of the microscopic theory of SSPM operation were reviewed and summarized. Present emphasis is on modeling of the avalanche process which is the basis for SSPM operation. Approaches to the solution of the Boltzmann transport equation are described and the treatment of electron scattering mechanisms is presented. The microscopic single-electron transport theory is ready to be implemented for large-scale computations.

Besser, P. J.↗
NASA NTRS1989

Auroral excitation of the N2 2P(0,0) and VK(0,9) bands

The low-energy secondary electron flux caused by auroral electron precipitation is examined using data from the Atmosphere Explorer C satellite. An energetic electron transport algorithm is used to compute the differential electron flux produced by measured primaries. Emissions of N2 in the 2P(0,0) band at 337 nm and the VK(0,9) band at 335 nm predicted by the model are compared with photometric observation of their combined volume emission rate altitude profile made by the visible airglow experiment. Reasonable correspondence between model and measurement is obtained. Ratios of emissions at 337 nm and 630 nm to the N2(+) 1N(0,0) band at 428 nm are also studied. It is concluded that the 337/428 nm ratio responds to changes in the characteristic energy of primary auroral electrons only insofar as part of the 337 nm brightness is due to N2 VK(0,9) emission. The 630/428 nm ratio, which is strongly dependent on characteristic energy, also varies significantly with changes in atomic oxygen density.

Solomon, Stanley C.↗
DOE OSTI2024

Block copolymer-mediated synthesis of TiO2/RuO2 nanocomposite for efficient oxygen evolution reaction

Abstract An amphiphilic block copolymer, poly (styrene-2-polyvinyl pyridine-ethylene oxide), was used as a structure-directing and stabilizing agent to synthesize TiO 2 /RuO 2 nanocomposite. The strong interaction of polymers with metal precursors led to formation of a porous heterointerface of TiO 2 /RuO 2 . It acted as a bridge for electron transport, which can accelerate the water splitting reaction. Scanning electron microscopy, energy-dispersive X -ray spectroscopy, transmission electron microscopy, and X -ray diffraction analysis of TiO 2 /RuO 2 samples revealed successful fabrication of TiO 2 /RuO 2 nanocomposites. The TiO 2 /RuO 2 nanocomposites were used to measure electrochemical water splitting in three-electrode systems in 0.1-M KOH. Electrochemical activities unveil that TiO 2 /RuO 2 -150 nanocomposites displayed superior oxygen evolution reaction activity, having a low overpotential of 260 mV with a Tafel slope of 80 mVdec −1 . Graphical abstract

36 MATERIALS SCIENCE↗
DOE OSTI2022

A Summary of Validation Studies for the Integrated TIGER Series Performed on ACORN Plus-up 218468/99

The Integrated TIGER Series (ITS) transport code is a valuable tool for photon-electron transport. A seven-problem validation suite exists to make sure that the ITS transport code works as intended. It is important to ensure that data from benchmark problems is correctly compared to simulated data. Additionally, the validation suite did not previously make use of a consistent quantitative metric for comparing experimental and simulated datasets. To this end, the goal of this long-term project was to expand the validation suite both in problem type and in the quality of the error assessment. To accomplish that, the seven validation problems in the suite were examined for potential drawbacks. When a drawback was identified, the problems were ranked based on severity of the drawback and approachability of a solution. We determined that meaningful improvements could be made to the validation suite by improving the analysis for the Lockwood Albedo problem and by introducing the Ross dataset as an eighth problem to the suite. The Lockwood error analysis has been completed and will be integrated in the future. The Ross data is unfinished, but significant progress has been made towards analysis.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Integrated Tiger Series (ITS) Code Validation and Uncertainty Quantification for Electron Number Albedo in Various Materials

In the 1970’s and 1980’s, researchers at Sandia National Laboratories produced electron albedo data for a range of materials. Since that time, the electron albedo data has been used for a wide variety of purposes including the validation of Monte Carlo electron transport codes. This report was compiled to examine the electron albedo experiment results in the context of Integrated Tiger Series (ITS) validation. The report presents tables and figures that could provide insight into the underlying model form uncertainty present in the ITS code. Additionally, the report provides data on potential means to reduce these model form errors by highlighting potential refinements in the cross-section generation process.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1981

Electron-beam-charged dielectrics: Internal charge distribution

Theoretical calculations of an electron transport model of the charging of dielectrics due to electron bombardment are compared to measurements of internal charge distributions. The emphasis is on the distribution of Teflon. The position of the charge centroid as a function of time is not monotonic. It first moves deeper into the material and then moves back near to the surface. In most time regimes of interest, the charge distribution is not unimodal, but instead has two peaks. The location of the centroid near saturation is a function of the incident current density. While the qualitative comparison of theory and experiment are reasonable, quantitative comparison shows discrepancies of as much as a factor of two.

Beers, B. L.↗
NASA NTRS1988

The auroral 6300 A emission - Observations and modeling

A tomographic inversion is used to analyze measurements of the auroral atomic oxygen emission line at 6300 A made by the atmosphere explorer visible airglow experiment. A comparison is made between emission altitude profiles and the results from an electron transport and chemical reaction model. Measurements of the energetic electron flux, neutral composition, ion composition, and electron density are incorporated in the model.

Solomon, Stanley C.↗
NASA NTRS2002

Preferential inhibition of the plasma membrane NADH oxidase (NOX) activity by diphenyleneiodonium chloride with NADPH as donor

The cell-surface NADH oxidase (NOX) protein of plant and animal cells will utilize both NADH and NADPH as reduced electron donors for activity. The two activities are distinguished by a differential inhibition by the redox inhibitor diphenyleneiodonium chloride (DPI). Using both plasma membranes and cells, activity with NADPH as donor was markedly inhibited by DPI at submicromolar concentrations, whereas with NADH as donor, DPI was much less effective or had no effect on the activity. The possibility of the inhibition being the result of two different enzymes was eliminated by the use of a recombinant NOX protein. The findings support the concept that NOX proteins serve as terminal oxidases for plasma membrane electron transport involving cytosolic reduced pyridine nucleotides as the natural electron donors and with molecular oxygen as the electron acceptor.

Non-NASA Center↗
NASA NTRS2019

Low Energy Precipitating Electrons in the Diffuse Aurorae

Auroral electron precipitation is often classified into three categories: diffuse, monoenergetic,and broadband. However, some precipitating electrons do not fit any of the three categories, which areassumed to be "diffuse" electrons for convenience. Many of these nonconforming electrons exhibit highfluxes at low energies. Most studies assume that the precipitating electrons originate from themagnetosphere. However, this primary precipitation is only the first step in the formation of the electronprecipitation. The primary precipitation creates secondary electrons and both electron populations bouncemany times between the conjugate points. Thus, the full electron precipitation consists of not only theprimary but the Multiply Reflected Primary and Secondary (MRPS) electrons. The MRPS electrons aremodeled with Superthermal Electron Transport model. The modeldata comparisons suggest that the lowenergy electrons in the nonconforming precipitating electrons can be attributed to MRPS electrons.

Wing, Simon↗
DOE OSTI2022

Resistivity of Surface Steps in Bulk-Insulating Topological Insulators

Electron transport in topological insulators usually involves both topologically protected surface states and trivial electronic states in the bulk material. The surface transport is particularly interesting; however, it is also susceptible to atomic defects on the surfaces, such as vacancies, impurities, and step edges. Experimental determination of scattering effects of these surface defects requires both nanoscale spatial resolution and the ability to decipher surface transport from bulk transport. Here we directly measure the resistivity of individual surface steps in the surface dominating transport process of topological insulator Bi 2 Te 2 Se. A variable probe-spacing transport spectroscopy with a multiprobe scanning tunneling microscope is used to differentiate the surface conductance from bulk conductance, allowing the identification of a surface dominant transport regime. The technique also reveals a deviation from ideal 2D transport at atomic steps. Then, a multi-probe scanning tunneling potentiometry is employed to visualize the electrochemical potentials across individual step edges. A quantitative analysis of the potential distributions enables us to acquire a resistivity of 0.530 mΩ · cm for the one quintuple-layer atomic step. The result indicates that atomic defects, despite preserving the time-reversal symmetry, can still significantly affect the transport in topological insulators.

36 MATERIALS SCIENCE↗
NASA NTRS1975

Effective velocity power laws for electron-neutral collision frequencies

Calculations of electron transport coefficients in the ionosphere are simplified if the electron-neutral collision frequency can be expressed as a power law in velocity. A new method for determining the effective power law representation for electron-neutral collision frequencies of arbitrary velocity dependence is presented. This method is applied to ionospheric gases in a model calculation. Comparison with similar results of Schunk and Walker and with exact calculations of transport coefficient correction factors demonstrates this technique to be more accurate than the other. Effective power law indexes are computed for both Banks' and Itikawa's collision frequencies. Relative differences between these indexes are found to be considerably larger than the differences between the collision frequencies themselves; however, the effects on transport calculations are shown to be smaller.

Comfort, R. H.↗
DOE OSTI2023

Anomalous cross-field transport in a Hall thruster inferred from direct measurement of instability growth rates

The contribution of the electron drift instability to anomalous electron transport is experimentally assessed in a Hall effect discharge. The transport is represented by an anomalous collision frequency, which is related through quasilinear theory to the energy and growth rate of the instability. The wave energy is measured directly with ion saturation probes, while estimates of the growth rate are employed based on both linearized theory and direct measurement. The latter measurement is performed with a bispectral analysis method. The wave-driven collision frequency is compared to measurements of the actual collision frequency inferred from a method based on laser- induced fluorescence. It is found that estimates for transport using linearized theory for the growth differ by over an order of magnitude from the actual anomalous collision frequency in the plasma. The wave-driven anomalous collision frequency with measured growth, however, is shown to agree with the electron collision frequency in magnitude and capture aspects of the trends in spatial variation. This result demonstrates experimentally that wave-driven effects ultimately can explain the observed cross-field transport in these devices. As a result, the implications of this finding are discussed in the context of the key lengthscales that drive the transport as well as the implications identifying reduced fidelity models that could be used to predict anomalous collision frequency.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Controlled n –Doping of Naphthalene Diimide–Based Two–Dimensional Polymers

Two-dimensional polymers (2DPs) are promising as structurally well-defined, permanently porous, organic semiconductors. However, 2DPs are nearly always isolated as closed shell organic species with limited charge carriers, which leads to low bulk conductivities. Here, we enhance the bulk conductivity of two naphthalene diimide (NDI)-containing 2DP semiconductors by controllably n-doping the NDI units using cobaltocene (CoCp 2 ). Optical and transient microwave spectroscopy reveals that both as-prepared NDI-containing 2DPs are semiconducting with sub-2 eV optical bandgaps and photoexcited charge-carrier lifetimes of tens of nanoseconds. Following reduction with CoCp 2 , both 2DPs largely retain their periodic structures and exhibit optical and electron-spin resonance spectroscopic features consistent with the presence of NDI-radical anions. Here, while the native NDI-based 2DPs are electronically insulating, maximum bulk conductivities of >10 –4 S cm –1 are achieved by substoichiometric levels of n-doping. Density functional theory calculations show that the strongest electronic couplings in these 2DPs exist in the out-of-plane (π-stacking) crystallographic directions, which indicates that cross-plane electronic transport through NDI stacks is primarily responsible for the observed electronic conductivity. Taken together, this study underlines that controlled molecular doping is a useful approach to access structurally well-defined, paramagnetic, 2DP n-type semiconductors with measurable bulk electronic conductivities of interest for electronic or spintronic devices.

2D polymers↗
NASA NTRSDate not supplied

Ionospheric Response to Electron Precipitation Driven by Whistler-Mode Chorus Waves Measured by Arase Satellite and Simulated by STET and SPEAH-RIT

The origin of pulsating auroras has long been an open question. Arase satellite observation reported the direct evidence that precipitated electrons in pulsating aurora are driven by whistler-mode chorus wave activity. Our study presents the theoretical analysis of this observational event based on SuperThermal Electron Transport (STET) code that simulates the highly dynamic environment of measured wave intensities and particle fluxes. Specifically, the STET code simulated results confirm the delicate loss-cone observation results of this mission and reveal the broader energy range of precipitated electron fluxes that were not measurable by Arase satellite. These highly dynamic precipitating electron fluxes were applied to a newly developed code, the Superthermal Proton, Electron and Atomic Hydrogen tRansport in the Ionosphere and Thermosphere (SPEAH-RIT), to simulate ionospheric response of this phenomena, in particular, the enhancement of electron density, plasma temperatures, and ionospheric electric conductance at the footprints of Arase satellite.

George V. Khazanov↗
DOE OSTI2025

A subgrid model for electron-scale turbulent transport in global ion-scale gyrokinetic simulations of tokamak plasmas

A subgrid electron–temperature–gradient (ETG) model is demonstrated here which averages local electron-scale turbulence over intermediate scales in space and time to include in global ion–temperature–gradient (ITG) simulations. This approach results in ion-scale equations, which incorporate the electron heat transport from ETG turbulence and the effects of electron-scale turbulence on the ion scale. Flux-tube ETG Cyclone Base Case simulations are performed at different radial locations and a kinetic form of the flux is added to global ion-scale (IS) simulations as a source term. Analytic radial profiles of ETG heat flux are constructed and compared to flux-tube results at multiple radial locations. Different ratios of ITG to ETG heat flux levels are considered and the results of capturing ETG heat transport in global ion-scale simulations are discussed. The potential coupling of the ETG streamer potential and intermediate-scale zonal flows to the ion scale is further addressed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Extracellular Charge Transport in Microbial Redox Chains: Linking the Living and Non-Living Worlds

The fundamental process of electron transfer (ET) within and between molecules dictates all biological energy conversion strategies, including respiration and photosynthesis. This project resulted in a comprehensive physics-based understanding of the mechanisms and limits of redox networks that mediate and regulate electron transport through microbial metabolic pathways, with special emphasis on environmental microbes that can acquire energy by catalyzing anodic or cathodic reactions on solid-state electrodes (extracellular electron transfer, or EET). By performing electron transfer to/from electrodes, such microbes may be used as biocatalysts for converting the energy stored in diverse chemical fuels to electricity, or vice versa (microbial electrosynthesis), in renewable energy technologies.

59 BASIC BIOLOGICAL SCIENCES↗