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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Laboratory Observations of Electron Heating and Non-Maxwellian Distributions at the Kinetic Scale during Electron-Only Magnetic Reconnection

Non-Maxwellian electron velocity distribution functions composed of a warm bulk population and a cold beam are directly measured during electron-only reconnection with a strong out-of-plane (guide) magnetic field in a laboratory plasma. Electron heating is localized to the separatrix, and the electron temperature increases continuously along the separatrix. The measured gain in enthalpy flux is 70% of the incoming Poynting flux. The electron beams are oppositely directed on either side of the X point, and their velocities are comparable to, and scale with, the electron Alfven speed. Particle-in-cell simulations are consistent with the measurements. Furthermore, the experimental results are consistent with, and go beyond, recent observations in the magnetosheath.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Removal of phosphorus using biochar derived from Fenton sludge: Mechanism and performance insights

Abstract A phosphorus removal biochar adsorbent was prepared from Fenton sludge. The adsorption process was optimized, and its phosphorus adsorption mechanism was discussed. It was found that the phosphorus adsorption performance of biochar prepared from single Fenton sludge (FBC‐400) was better than that of co‐pyrolysis of Fenton sludge and bamboo powder. The optimum condition was that Fenton sludge pyrolyzed at 400°C (FBC‐400). FBC‐400 had a larger specific surface area than that prepared by co‐pyrolysis with bamboo powder. And the high content of iron element could provide a higher surface charge of the biochar, thereby increasing the electrostatic adsorption of phosphorus onto FBC‐400. The phosphorus adsorption was highly pH dependent by FBC‐400, which can enhance electrostatic adsorption and increase adsorption capacity in acidic conditions. The effect of coexisting anion on adsorption performance was mainly affected by CO 3 2− , reducing the adsorption capacity by at least 49%, whereas other anions had no obvious interference. The adsorption process of FBC‐400 accorded with the pseudo‐second‐order kinetic model and the Langmuir model, which indicated that the adsorption process was monolayer adsorption and mainly chemical adsorption, and the maximum saturated phosphorus adsorption capacity was 8.77 mg g −1 . The mechanisms for phosphorus adsorption were electrostatic adsorption and inner‐sphere complexing. 1 M NaOH was used for desorption, and the adsorption capacity remained at 81% in the fifth cycle. Practitioner Points The Fenton sludge biochar usage as an adsorbent could be a win‐win strategy to convert waste biomass to valuable ‐ product. The adsorption process accorded with the Langmuir model, the maximum phosphorus adsorption capacity was 8.77 mg/g at 25°C. The adsorption mechanisms were electrostatic adsorption and inner‐sphere complexing. 1M NaOH was used for desorption, and the adsorption capacity remained at 81% in the fifth cycle.

Liu, Yanfang↗
DOE OSTI2022

Enzymatic Nitrogen Insertion into Unactivated C–H Bonds

Selective functionalization of aliphatic C–H bonds, ubiquitous in molecular structures, could allow ready access to diverse chemical products. While enzymatic oxygenation of C–H bonds is well established, the analogous enzymatic nitrogen functionalization is still unknown; nature is reliant on pre-oxidized compounds for nitrogen incorporation. Likewise, synthetic methods for selective nitrogen derivatization of unbiased C–H bonds remain elusive. In this work, new-to-nature heme-containing nitrene transferases were used as starting points for the directed evolution of enzymes to selectively aminate and amidate unactivated C(sp3)–H sites. The desymmetrization of methyl- and ethylcyclohexane with divergent site selectivity is offered as demonstration. The evolved enzymes in these lineages are highly promiscuous and show activity towards a wide array of substrates, providing a foundation for further evolution of nitrene transferase function. Computational studies and kinetic isotope effects (KIEs) are consistent with a stepwise radical pathway involving an irreversible, enantiodetermining hydrogen atom transfer (HAT), followed by a lower-barrier diastereoselectivity determining radical rebound step. In-enzyme molecular dynamics (MD) simulations reveal a predominantly hydrophobic pocket with favorable dispersion interactions with the substrate. Here, by offering a direct path from saturated precursors, these enzymes present a new biochemical logic for accessing nitrogen-containing compounds.

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

Assessment of the literature about Be-W mixed material layer formation in the fusion reactor environment

Abstract All plasma facing surfaces in a fusion reactor, whether initially pure or an alloy, will rapidly evolve into a mixed material due to plasma-induced erosion, migration and redeposition. Beryllium (Be) erosion from the main chamber, and its transport and deposition on to a tungsten (W) divertor results in the growth of mixed Be-W layers, which can evolve to form beryllides. These Be-W mixed materials exhibit generally less desirable properties than pure tungsten or pure beryllium, such as lower melting points. In order to better understand the parameter space for growth of these alloys, this paper reviews the literature on Be-W mixed material formation experiments—in magnetically confined fusion reactors, in linear plasma test stands, and during thin-film deposition—and on computational modeling of Be-W interactions, as well as briefly assesses the Be-W growth kinetics. We conclude that the following kinetic steps drive the material mixing: adsorption of the implanted/deposited ion on the metal surface; diffusion of the implanted/deposited ion from surface into the bulk, which is accelerated by defects; and loss of deposited material through erosion. Adsorption dominates (or prevents) material mixing in thin-film deposition experiments, whereas diffusion drives material mixing in plasma exposures due to the energetic ion implantation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Assessment of the literature about Be-W mixed material layer formation in the fusion reactor environment

All plasma facing surfaces in a fusion reactor, whether initially pure or an alloy, will rapidly evolve into a mixed material due to plasma-induced erosion, migration and redeposition. Beryllium (Be) erosion from the main chamber, and its transport and deposition on to a tungsten (W) divertor results in the growth of mixed Be-W layers, which can evolve to form beryllides. These Be-W mixed materials exhibit generally less desirable properties than pure tungsten or pure beryllium, such as lower melting points. In order to better understand the parameter space for growth of these alloys, this paper reviews the literature on Be-W mixed material formation experiments—in magnetically confined fusion reactors, in linear plasma test stands, and during thin-film deposition—and on computational modeling of Be-W interactions, as well as briefly assesses the Be-W growth kinetics. We conclude that the following kinetic steps drive the material mixing: adsorption of the implanted/deposited ion on the metal surface; diffusion of the implanted/deposited ion from surface into the bulk, which is accelerated by defects; and loss of deposited material through erosion. Adsorption dominates (or prevents) material mixing in thin-film deposition experiments, whereas diffusion drives material mixing in plasma exposures due to the energetic ion implantation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Design Rules of the Mixing Phase and Impacts on Device Performance in High-Efficiency Organic Photovoltaics

In nonfullerene acceptor- (NFA-) based solar cells, the exciton splitting takes place at both domain interface and donor/acceptor mixture, which brings in the state of mixing phase into focus. The energetics and morphology are key parameters dictating the charge generation, diffusion, and recombination. It is revealed that tailoringthe electronic properties of the mixing region by doping with larger-bandgap components could reduce the density of state but elevate the filling state level, leading to improved open-circuit voltage ( V OC ) and reduced recombination. The monomolecular and bimolecular recombinations are shown to be intercorrelated, which show a Gaussian-like relationship with V OC and linear relationship with short-circuit current density ( J SC ) and fill factor (FF). The kinetics of hole transfer and exciton diffusion scale with J SC similarly, indicating the carrier generation in mixing region and crystalline domain are equally important. From the morphology perspective, the crystalline order could contribute to V OC improvement, and the fibrillar structure strongly affects the FF. These observations highlight the importance of the mixing region and its connection with crystalline domains and point out the design rules to optimize the mixing phase structure, which is an effective approach to further improve device performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1993

Current loop coalescence studied by 3-D electromagnetic particle code

Solar flare plasma data from the Yohkoh satellite is analyzed. The interactions of current loops were observed in the active regions on the Sun. This observation pointed out the importance of the idea that the solar flare is generated by the coalescence of current loops. The three dimensional electromagnetic particle simulations are to help in understanding the global interaction between two current loops including the evolution of the twist of loops due to instabilities. Associated rapid dynamics of current loop coalescence such as reconnection, shock waves and associated kinetic processes such as energy transfer, acceleration of particles, and electromagnetic emissions are to be studied by the code to complement analytical theories and magnetohydrodynamic simulations of the current loop coalescence. The simulation results show the strong interactions between two current loops, beam and whistler instabilities, and associated parallel and perpendicular particle heating.

Nishikawa, Ken-Ichi↗
DOE OSTI2021

Exploring chemistry with single-molecule and -particle fluorescence microscopy

The evolution of single-molecule and -particle fluorescence microscopy imaging techniques for the investigation of chemical reactions yielded achievements at all fronts, from synthetic organic chemistry to materials science. The removal of ensemble averaging effects uncovers unique, otherwise hidden reaction intermediates, reactivity, and kinetics. Thus, new insights can be obtained even for well-explored chemical reactions and processes. The aim of this article is to serve as a guide and a source of inspiration for scientists who wish to develop single-molecule and -particle fluorescence microscopy to answer questions in chemistry. Here, we describe the current status of technical accomplishments in the field and point out technical and conceptual obstacles for overcoming in the near future, with focus on improvement of bench-scale synthetic reactions.

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

Kinetic relaxation and nucleation of Bose stars in self-interacting wave dark matter

We revisit kinetic relaxation and soliton/boson star nucleation in fuzzy scalar dark matter featuring short-ranged self-interactions H int = − λ | ψ | 4 / 2 m 2 , alongside gravitational self-interactions. We map out the full curve of nucleation timescale for both repulsive ( λ < 0 ) and attractive ( λ > 0 ) short-ranged self-interaction strength and in doing so reveal two new points. Firstly, besides the two usual terms, ∝ G 2 and ∝ λ 2 , in the total relaxation rate Γ relax , there is an additional cross term ∝ G λ arising due to interference between gravitational and short-ranged self-interaction scattering amplitudes. This yields a critical repulsive interaction strength λ cr ≃ − 2 π G m 2 / v 0 2 , at which the relaxation rate is smallest and serves as the transition point between typical net attractive self-interaction ( λ ≳ λ cr ) and net repulsive self-interaction ( − λ ≳ − λ cr ). Secondly, while in the net attractive regime, nucleation timescale is similar to inverse relaxation timescale τ nuc ∼ Γ relax − 1 ; in the net repulsive regime, nucleation occurs at a delayed time τ nuc ∼ ( λ / λ cr ) Γ relax − 1 . We confirm our analytical understanding by performing 3D field simulations with varying average mass density ρ ¯ , box size L and grid size N . Published by the American Physical Society 2024

Astronomy & Astrophysics↗
NASA NTRS1997

The Effect of Diffusional Transport and Surface Catalysis on the Aerothermodynamic Heating for Martian Atmospheric Entry

For the reentry heating of 70-degree blunt sphere-cones entering Mars at velocities in excess of 6 km/sec, a study was performed to determine the magnitude of both convective and catalytic heating on the cone forebody. Case studies of the peak heating conditions for the current NASA Mars Pathfinder entry probe, as well as the peak heating conditions of the proposed NASA Mars 2001 aerobraking orbiter mission were performed. Since the actual behavior of the chemical recombination of Mars atmosphere hypersonic shock layer species on heat shield materials is not known, and no experimental studies of any consequence have been done to determine surface reaction rates for the CO2 system, a parametric analysis of various reaction schemes and surface catalytic mechanistic models was performed. In many cases the actual Mars entry probe will have a heat shield composed of an ablative material which can either partially or completely preclude the existence of catalytic surface recombination phenomena. The extent of this blockage effect has not been examined at this time and is not considered in this effort. Instead only non-ablative computations are performed to separately evaluate the full extent of the surface catalysis and related diffusional phenomena. Parametric studies include peak heating point comparisons of non-catalytic, partially catalytic and fully catalytic total surface heat transfer for three difference surface recombination catalytic mechanisms (with and without simultaneous CO + O and O + O recombination) as well as with different species diffusion models. Diffusion model studies include constant Schmidt number (equal diffusivities) and the bifurcation, approximate multi-component diffusion model. Since the gas phase reaction kinetics for the Mars CO2 based atmosphere have also not been validated, the effect of two different (fast and slow) sets of gas kinetics on heat transfer is presented.

Henline, William D.↗
NASA NTRS2021

High-Fidelity Simulation of Turbulent Flow Past a Gaussian Bump

A spanwise-periodic computation of a turbulent flow past a Gaussian bump is performed in the form of a hybrid direct numerical simulation and wall-resolved large-eddy simulation. A fourth-order spatially-accurate flow solver is employed to perform the simulation, using 10.2 billion grid points for a Reynolds number of 170000 based on the bump height. The key findings from the simulation are reported in the acceleration and deceleration flow regions associated with the bump shape. Significant anisotropy in the normal Reynolds stresses, along both the wall-normal and streamwise directions, is observed within the acceleration region. The ratio between the Reynolds shear stress and turbulent kinetic energy in that region also experiences significant deviations from the norms of a zero pressure gradient turbulent boundary layer. The chosen Reynolds number generates strong flow separation in the adverse pressure gradient region, which is in contrast with a previous simulation at half the Reynolds number that only indicated incipient separation. An internal layer generated in the acceleration region evolves into a free shear layer that develops in the deceleration region and separates. Proper modeling of this inner layer appears crucial to predict the flow separation. Surface curvature effects on the attached flow development are also discussed.

Turbulent Boundary Layer↗
DOE OSTI2023

Evolution of coupled weakly driven waves in a dissipative plasma

The nonlinear collisional dynamics of coupled driven plasma waves in the presence of background dissipation is studied analytically within kinetic theory. Sufficiently near marginal stability, phase space correlations are poorly preserved and time delays become unimportant. The system is then shown to be governed by two first-order coupled autonomous differential equations of cubic order for the wave amplitudes and two complementary first-order equations for the evolution of their phases. That system of equations can be decoupled and further simplified to a single second-order differential equation of Liénard's type for each amplitude. Numerical solutions for this equation are obtained in the general case, while analytic solutions are obtained for special cases in terms of parameters related to the spacing of the resonances of the two waves in frequency space, e.g., wave lengths and oscillation frequencies. These parameters are further analyzed to find classes of quasi-steady saturation and pulsating scenarios. To classify equilibrium points, local stability analysis is applied, and bifurcation conditions are determined. When the two waves saturate at similar amplitude levels, their combined signal is shown to invariably exhibit amplitude beating and phase jumps of nearly π. In conclusion, the obtained analytical results can be used to benchmark simulations and to interpret eigenmode amplitude measurements in fusion experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2004

Time-Average Measurement of Velocity, Density, Temperature, and Turbulence Using Molecular Rayleigh Scattering

Measurement of time-averaged velocity, density, temperature, and turbulence in gas flows using a nonintrusive, point-wise measurement technique based on molecular Rayleigh scattering is discussed. Subsonic and supersonic flows in a 25.4-mm diameter free jet facility were studied. The developed instrumentation utilizes a Fabry-Perot interferometer to spectrally resolve molecularly scattered light from a laser beam passed through a gas flow. The spectrum of the scattered light contains information about velocity, density, and temperature of the gas. The technique uses a slow scan, low noise 16-bit depth CCD camera to record images of the fringes formed by Rayleigh scattered light passing through the interferometer. A kinetic theory model of the Rayleigh scattered light is used in a nonlinear least squares fitting routine to estimate the unknown parameters from the fringe images. The ability to extract turbulence information from the fringe image data proved to be a challenge since the fringe is broadened by not only turbulence, but also thermal fluctuations and aperture effects from collecting light over a range of scattering angles. Figure 1 illustrates broadening of a Rayleigh spectrum typical of flow conditions observed in this work due to aperture effects and turbulence for a scattering angle, chi(sub s), of 90 degrees, f/3.67 collection optics, mean flow velocity, u(sub k), of 300 m/s, and turbulent velocity fluctuations, sigma (sub uk), of 55 m/s. The greatest difficulty in processing the image data was decoupling the thermal and turbulence broadening in the spectrum. To aid in this endeavor, it was necessary to seed the ambient air with smoke and dust particulates; taking advantage of the turbulence broadening in the Mie scattering component of the spectrum of the collected light (not shown in the figure). The primary jet flow was not seeded due to the difficulty of the task. For measurement points lacking particles, velocity, density, and temperature information could reliably be recovered, however the turbulence estimates contained significant uncertainty. Resulting flow parameter estimates are presented for surveys of Mach 0.6, 0.95, and 1.4 jet flows. Velocity, density, and temperature were determined with accuracies of 5 m/s, 1.5%, and 1%, respectively, in flows with no particles present, and with accuracies of 5 m/s, 1-4%, and 2% in flows with particles. Comparison with hotwire data for the Mach 0.6 condition demonstrated turbulence estimates with accuracies of about 5 m/s outside the jet core where Mie scattering from dust/smoke particulates aided in the estimation of turbulence. Turbulence estimates could not be recovered with any significant accuracy for measurement points where no particles were present.

Mielke, Amy F.↗
DOE OSTI2020

In situ microstructural evolution in face-centered and body-centered cubic complex concentrated solid-solution alloys under heavy ion irradiation

This study characterizes the microstructural evolution of single-phase complex concentrated solid-solution alloy (CSA) compositions under heavy ion irradiation with the goal of evaluating mechanisms for CSA radiation tolerance in advanced fission systems. Three such alloys, Cr 18 Fe 27 Mn 27 Ni 28 , Cr 15 Fe 35 Mn 15 Ni 35 , and equimolar NbTaTiV, along with reference materials (pure Ni and E90 for the Cr-FeMnNi family and pure V for NbTaTiV) were irradiated at 50 K and 773 K with 1 MeV Kr ++ ions to various levels of displacements per atom (dpa) using in-situ transmission electron microscopy. Cryogenic irradiation resulted in small defect clusters and faulted dislocation loops as large as 12 nm in face-centered cubic (FCC) CSAs. With thermal diffusion suppressed at cryogenic temperatures, defect densities were lower in all CSAs than in their less compositionally complex reference materials indicating that point defect production is reduced during the displacement cascade stage. High temperature irradiation of the two FCC CSA resulted in the formation of interstitial dislocation loops which by 2 dpa grew to an average size of 27 nm in Cr 18 Fe 27 Mn 27 Ni 28 and 10 nm in Cr 15 Fe 35 Mn 15 Ni 35 . This difference in loop growth kinetics was attributed to the difference in Mn-content due to its effect on the nucleation rate by increasing vacancy mobility or reducing the stacking-fault energy.

36 MATERIALS SCIENCE↗
DOE OSTI2022

A learned closure method applied to phase mixing in a turbulent gradient-driven gyrokinetic system in simple geometry

We present a new method for formulating closures that learn from kinetic simulation data. We apply this method to phase mixing in a simple gyrokinetic turbulent system – temperature-gradient-driven turbulence in an unsheared slab. The closure, called the learned multi-mode (LMM) closure, is constructed by, first, extracting an optimal basis from a nonlinear kinetic simulation using singular value decomposition. Subsequent nonlinear fluid simulations are projected onto this basis and the results are used to formulate the closure. We compare the closure with other closures schemes over a broad range of the relevant two-dimensional parameter space (collisionality and gradient drive). We find that the turbulent kinetic system produces phase-mixing rates much lower than the linear expectations, which the LMM closure is capable of capturing. We also compare radial heat fluxes. A Hammett–Perkins closure, generalized to include collisional effects, is quite successful throughout the parameter space, producing ${\sim }14\,\%$ root-mean-square (r.m.s.) error. The LMM closure is also very effective: when trained at three (two) points (in a 35 point parameter grid), the LMM closure produces $8\,\%$ ( $12\,\%$ ) r.m.s. errors. The LMM procedure can be readily generalized to other closure problems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

X-ray diffraction of metastable structures from supercooled liquid hydrogen

We report time resolved observations of the crystallization from liquid hydrogen, supercooled to temperatures below the melting point, using 11.2 keV X-ray diffraction from the Linac Coherent Light Source (LCLS). Changes to the metastable solid and liquid structure factors have been dynamically measured. This allows for a direct determination of the lowest energy crystal polymorphs, the stacking probabilities, as well as the liquid and solid densities and temperatures. Such measurements provide experimental evidence of an Arrhenius-like growth kinetics along the stacking direction during supercooling.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Anharmonicity and Phase Diagram of Magnesium Oxide in the Megabar Regime

With density functional molecular dynamics simulations, we computed the phase diagram of MgO from 50 to 2000 GPa up to 20000 K. Via thermodynamic integration (TDI), we derive the Gibbs free energies of the B1, B2, and liquid phases and determine their phase boundaries. With TDI and a pseudo-quasi-harmonic approach, we show that anharmonic effects are important and stabilize the B1 phase in particular. As a result, the B1-B2 transition boundary in the pressure-temperature plane exhibits a steep slope. We predict the B1-B2-liquid triple point to occur at approximately T= 10000 K and P = 370 GPa, which is higher in pressure than was inferred with quasi-harmonic methods alone. We predict the principal shock Hugoniot curve to enter the B2 phase stability domain but only over a very small range of parameters. Here, this may render it difficult to observe this phase with shock experiments because of kinetic effects.

3-dimensional systems↗
NASA NTRS1973

Mariner 9 ultraviolet spectrometer experiment - Measurements of the Lyman alpha sky background

During the flight of Mariner 9 to Mars, the ultraviolet spectrometer on board the spacecraft measured the L-alpha intensity for several points in the sky. These data are compared with a sky map obtained by OGO-5 and the observations of Mariner 6. The absolute calibration of Mariner 9 and Mariner 6 differ by a factor of 1.43 at L-alpha. The low values of the sky brightness measured by Mariner 9 near the sky minimum suggest that the nearby interstellar medium has a kinetic temperature of 200-1100 K and a relative velocity with respect to the sun in the range 13-14 km/sec.

Bohlin, R. C.↗