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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 1,027 records · Page 57
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Kinetics of Radiation-induced Cr( II ) and Cr( III ) Redox Chemistry in Molten LiCl-KCl Eutectic

Chromium (Cr) is a frequent constituent of the metal alloys proposed for molten salt nuclear reactor (MSR) applications, and is typically the least noble metal ion present. Consequently, chromium is preferentially corroded into molten salt solutions. Here, the redox poise and redox cycling of chromium ions in the salt can greatly influence its corrosivity towards structural alloys, ultimately impacting the longevity of MSR systems. Radiation-induced chemistry is expected to play a significant role in determining the chromium oxidation state distribution during MSR operations. In the present research, electron pulse radiolysis techniques were employed to characterize the reactivity of Cr(II) and Cr(III) ions with primary radiolysis products in molten lithium chloride–potassium chloride (LiCl–KCl) eutectic over a temperature range of 400–600 °C. Both chromium oxidation states were found to rapidly react with the primary products of molten chloride salt radiolysis, i.e., the solvated electron (e S - ) and the dichlorine radical anion (Cl 2 ˙ - ). For reactions with the e S - , second-order rate coefficients (k) of k = (4.1 ± 0.2) and (6.1 ± 0.3) × 10 10 M -1 s -1 at 400 °C for Cr(II) and Cr(III), respectively, were determined. Temperature-dependent measurements allowed for the derivation of activation parameters for electron capture by Cr(II) and Cr(III). Both chromium ions also react with Cl 2 ˙ - , k = (7.2 ± 0.3) and (1.4 ± 0.1) × 10 9 M -1 s -1 at 400 °C for Cr(II) and Cr(III), respectively.

37 - INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL C↗
DOE OSTI2025

Hybrid Simulations of FRC Merging and Compression

An improved understanding of field-reversed configuration (FRC) merging and stability in high acceleration and compression magnetic fields is needed to speed up the development of the pulsed fusion concept developed at Helion Energy. All previous theoretical and simulation work on FRC merging and compression was performed using two-dimensional (2D) magnetohydrodynamic (MHD) models. The results of novel 2D hybrid simulations (fluid electrons and full-orbit kinetic ions) of FRC merging and compression are presented. Results of kinetic and MHD simulations, computed using the HYM code, are compared and analyzed. In cases without axial magnetic compression, both the MHD and hybrid simulations show a high sensitivity to the initial parameters (i.e. FRC separation, velocity, normalized separatrix radius, and plasma viscosity), showing that FRCs with large elongation and separatrix radius either do not merge or merge partially, forming a doublet FRC. In conclusion, application of a mirror coil field at the FRC ends with increasing strength is shown to lead to fast and complete merging of the FRCs in MHD and kinetic simulations.

FRC↗
DOE OSTI2025

Bridging interfacial properties and cell performance: A multiscale model for proton-exchange-membrane fuel cells

Here, to elucidate the impact of local interfaces on mass-transport resistance and overall cell performance of low-loaded proton-exchange-membrane fuel cells (PEMFCs), we present a multiscale modeling framework incorporating a novel modified agglomerate model. The model considers three distinct Pt-electrolyte interfaces: Pt on the carbon surface covered by either ionomer or water film and Pt inside carbon nanopores. Detailed mass-transport voltage-loss breakdowns reveal that coupled agglomerate-interface-scale mass transport dominates the mass-transport loss. The ionomer poisons the exterior-Pt surface through suppressing O 2 adsorption and intrinsic ORR activity, leading to low current-density performance. Conversely, interior-Pt interface enhances the kinetic performance but limits high current-density performance due to its low interfacial permeability. The exterior-Pt/water interface demonstrates superior kinetic performance and mass transport, though its practical implementation requires ensuring proton transport. By coupling the multiscale CL properties with ink parameters, the model identifies an optimal I to C ratio of approximately 0.5, a moderate value where the ionomer content is sufficient to guarantee proton transport without fully covering the Pt surface and forming large agglomeration, thus allowing the utilization of the Pt-water interface and avoiding high mass-transport loss. Overall, the model helps unravel limiting phenomena across different operating regimes and provides routes for optimizing performance.

Cell diagnostic↗
DOE OSTI2023

Integrated simulation of U-10Mo monolithic fuel swelling behavior

Here, a separate computational branch has been implemented within the DART (Dispersion Analysis Research Tool) computational code to simulate the swelling behavior of U-10Mo monolithic fuel under the operating conditions of high-power research and test reactors (RTRs). The monolithic branch of the DART code implements a mechanistic rate-theory-based fission-gas-behavior model for the calculation of fission gas swelling, as well as a suite of thermal, physical, and mechanical models to take into account various processes occurring in RTR fuels during irradiation. In order to accurately simulate and eventually predict U-10Mo monolithic fuel irradiation behavior, the code uses materials properties calculated with lower length-scale computational methods, such as gas atom diffusivity and U-Mo surface energy from atomic simulations and grain-morphology-specific recrystallization kinetics (recrystallized fuel volume fractions vs. fission density) predicted using the phase-field method. The remainder of fission gas behavior parameters used in the model were calibrated with measured intergranular bubble size distributions. With this integrated simulation approach, the swelling behavior of U-10Mo monolithic fuel was simulated for various initial grain sizes at different operating conditions and compared with measured data. Furthermore, because limited experimental data exist for parameter calibration detailed sensitivity studies for the important parameters used in the fission gas behavior model were performed in order to examine their impact on both intergranular gas bubble morphology at low fission density, and on total porosity at high fission density.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Parallel expansion of a fuel pellet plasmoid

The problem of the assimilation of a cryogenic fuel pellet injected into a hot plasma is considered. Due to the transparency to ambient particles of the plasmoid, the localised region of high-density plasma created by ionisation of the ablated pellet material, electrons reach a ‘quasiequilibrium’ (QE) state which is characterised by a steady-state on the fastest collisional time scale. The simplified electron kinetic equation of the QE state is solved. Taking a velocity moment of the higher-order electron kinetic equation, which is valid on the expansion time scale, permits a fluid closure, yielding an evolution equation for the macroscopic parameters describing the QE distribution function. In contrast to the Braginskii equations, the closure does not require that electrons have a short mean free path compared with the size of density perturbations, and permits an anisotropic and highly non-Maxwellian distribution function. As the QE distribution function accounts for both trapped and passing electrons, the self-consistent electric potential that causes the expansion can be properly described, in contrast to earlier models of pellet plasmoid expansion with an unbounded potential. The plasmoid expansion is simulated using both a Vlasov model and a cold-fluid model for the ions. During the expansion plasmoid ions and electrons obtain nearly equal amounts of energy; as hot ambient electrons provide this energy in the form of collisional heating of plasmoid electrons, the expansion of a pellet plasmoid is expected to be a potent mechanism for the transfer of energy from electrons to ions on a time scale shorter than that of ion–electron thermalisation.

Physics↗
DOE OSTI2022

Baroclinic Control of Southern Ocean Eddy Upwelling Near Topography

In the Southern Ocean, mesoscale eddies contribute to the upwelling of deep waters along sloping isopycnals, helping to close the upper branch of the meridional overturning circulation. Eddy energy (EE) is not uniformly distributed along the Antarctic Circumpolar Current (ACC). Instead, “hotspots” of EE that are associated with enhanced eddy-induced upwelling exist downstream of topographic features. This study shows that, in idealized eddy-resolved simulations, a topographic feature in the ACC path can enhance and localize eddy-induced upwelling. However, the upwelling systematically occurs in regions where eddies grow through baroclinic instability, rather than in regions where EE is large. Across a range of parameters, along-stream eddy growth rate is a more reliable indicator of eddy upwelling than traditional parameterizations such as eddy kinetic energy, eddy potential energy, or isopycnal slope. Ocean eddy parameterizations should consider metrics specific to the growth of baroclinic instability to accurately model eddy upwelling near topography.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Structure, folding and flexibility of co-transcriptional RNA origami

RNA origami is a method for designing RNA nanostructures that can self-assemble through co-transcriptional folding with applications in nanomedicine and synthetic biology. However, to advance the method further, an improved understanding of RNA structural properties and folding principles is required. Here we use cryogenic electron microscopy to study RNA origami sheets and bundles at sub-nanometre resolution revealing structural parameters of kissing-loop and crossover motifs, which are used to improve designs. In RNA bundle designs, we discover a kinetic folding trap that forms during folding and is only released after 10 h. Furthermore, exploration of the conformational landscape of several RNA designs reveal the flexibility of helices and structural motifs. Finally, sheets and bundles are combined to construct a multidomain satellite shape, which is characterized by individual-particle cryo-electron tomography to reveal the domain flexibility. Together, the study provides a structural basis for future improvements to the design cycle of genetically encoded RNA nanodevices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

Cold-hot coupled waves in a flowing magnetized plasma

Abstract Nonlinear coupling of cold and hot waves in a flowing magnetized plasma is analyzed with the Vlasov equation. An analytical solution is obtained for cold waves of a small amplitude (weak flow) and a long wavelength. The distribution function is obtained by integrating the kinetic equation along a perturbed phase-space trajectory for a time-varying plasma flow. The kinetic description presents a generalized dispersion relation that involves resonances depending on cold and hot wave dispersions. Coherent fluid motion leads to radiation peaks in addition to the cyclotron harmonics, where the wavenumber of the cold wave determines the peak frequencies. The peaks appear narrow when the wave propagates perpendicular to the time-averaged flow while they become broad due to the Doppler effect when the wave propagates parallel to the flow. Fully kinetic particle-in-cell simulations corroborate the theoretical predictions. The dispersion relation and resulting wave spectra provide information about plasma parameters and flow properties.

Physics↗
DOE OSTI2024

Recombination of 𝐵 𝑐 mesons in ultrarelativistic heavy-ion collisions

High-energy heavy-ion collisions have been suggested as a favorable environment for the production of 𝐵 𝑐 mesons, due to a much larger abundance of charm and bottom quarks compared to elementary reactions. Motivated by recent CMS data for 𝐵$^{+}_{𝑐}$ production in Pb-Pb(5.02 TeV) collisions at the Large Hadron Collider (LHC), we deploy a previously developed transport approach for charmonia and bottomonia to evaluate the kinetics of 𝐵 𝑐 mesons throughout the fireball formed in these reactions. The main inputs to our approach are two transport parameters: the 𝐵 𝑐 's reaction rate and equilibrium limit. Both quantities are determined by previous calculations via a combination of charm and bottom sectors. In-medium binding energies of 𝐵 𝑐 mesons are calculated from a thermodynamic 𝑇 matrix with a lattice-QCD constrained potential, and figure in their inelastic reaction rates. Temperature-dependent equilibrium limits include charm- and bottom-quark fugacities based on their initial production. We compute the centrality dependence of inclusive 𝐵 𝑐 production and transverse-momentum (𝑝 𝑇 ) spectra using two different recombination models: instantaneous coalescence and resonance recombination. The main uncertainty in the resulting nuclear modification factors, 𝑅 AA , is currently associated with the 𝐵 𝑐 cross section in elementary 𝑝⁢𝑝 collisions, caused by the uncertainty in the branching ratio for the 𝐵$^{−}_{𝑐}$ → 𝐽/𝜓⁢𝜇 − ⁢$\overline{𝜈}$ decay. Our results indicate a large enhancement of the 𝑅 AA at low 𝑝 𝑇 , with significant regeneration contributions up to 𝑝 𝑇 ≃ 20GeV. Comparisons to CMS data are carried out but firm conclusions will require a more accurate value of the branching ratio, or alternative channels to measure the 𝐵 𝑐 production in 𝑝⁢ collisions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Experimental and Simulation Analysis of Binary Mixtures of Biomass and Inert Material

A literature review was conducted to identify experiments on various scales of biomass combustion specific to circulating fluidized bed (CFB) combustors. Typical feedstock and inert bed material characteristics for biomass combustion in a CFB were gathered. This information was used to design laboratory-scale, non-reacting experiments on biomass-inert bed material mixtures in a 1-in. cylindrical test rig in the Multiphase Flow Analysis Laboratory (MFAL) in Morgantown, WV. The biomass chosen was a hardwood. Pellets from the hardwood were milled and sieved to obtain three size ranges—small, medium, and large. Three mass loadings of each of the biomass samples were fluidized with glass beads as the inert bed material to study the mixing characteristics under varying fluidizing gas velocities. Hydrodynamic data including pressure drop measurements at select vertical locations and video recordings of the mixture behavior were generated in this effort.

09 BIOMASS FUELS↗
DOE OSTI2022

Electrochemically-Induced Phase Transformations in Battery Storage Compounds (Final Technical Report)

Compounds of interest for ion storage in advanced batteries frequently exhibit phase transformations as the working ion concentration varies. Under large electrochemical driving forces inherent to practical use, systems are often driven far from equilibrium. This program combines experiments and theory to understand the phase transition behavior of ion insertion compounds when electrochemically driven far from equilibrium. As model systems, we focus on alkaline metal phosphates AMPO4 (A = alkali; M = first row transition metal) of olivine structure, which are both technologically interesting and ideally suited for fundamental study due to the ability to systematically tune transformation strain, and along with it, the phase transformation pathway. Behavior in compositions having large transformation strains (~15 vol%) requiring plasticity for strain accommodation is emphasized. Experimental techniques include operando characterization of structure while simultaneously varying electrokinetic parameters, and high resolution microscopy of nanoscale and interfacial phenomena. Phase-field modeling is used to model the thermodynamics and kinetics of competing transformation pathways, extended to include the effects of plasticity, and integrated with porous electrode kinetic theory to treat multi-particle effects. Success in this project will lead to an ability to design ion storage compounds with predictable transformation pathways, electrochemical kinetics, capacity utilization, and durability. New technologically important compounds may also be discovered.

36 MATERIALS SCIENCE↗
NASA NTRS1974

Model calculations for diffuse molecular clouds

A local steady-state isobaric model of the interstellar clouds is developed and applied to the OAO-3 observations. The model allows for cooling by C II fine-structure transitions and for inhomogeneities resulting from attenuations in the external radiations which heat the cloud constituents. Factors affecting the thermal properties of the clouds are emphasized; these include H and H2 balance, interstellar grain heating, electron density, and calcium equilibrium. The thermodynamic consequences of the attenuation of the ultraviolet interstellar radiation field are studied. The effect of varying the most important parameters and their allowed ranges is considered. Results indicate that the model is capable of reproducing the H2 fractional abundances and kinetic temperatures observed by OAO-3.

Glassgold, A. E.↗
NASA NTRS1975

Theory and experiment of low transitions in CO discharge lasers

A self-consistent model which couples the kinetics of the electrons and heavy particles with the optical and fluid dynamic processes has been employed to identify the various parameters and explain the mechanism responsible for producing low-lying transitions in slow-flowing CO lasers. Both theory and experiment indicate that low-lying transitions can be achieved at low temperatures for low pressures (or low-flow rates) together with high partial pressures of He and N2. The role of N2 has been identified as an additive responsible for reducing the electron temperature to a range where the transfer of electrical power to the lower vibrational modes of CO is optimum.

Sidney, B.↗
NASA NTRS1984

A mathematical model for the iron/chromium redox battery

A mathematical model has been developed to describe the isothermal operation of a single anode-separator-cathode unit cell in a redox-flow battery and has been applied to the NASA iron/chromium system. The model, based on porous electrode theory, incorporates redox kinetics, mass transfer, and ohmic effects as well as the parasitic hydrogen reaction which occurs in the chromium electrode. A numerical parameter study was carried out to predict cell performance to aid in the rational design, scale-up, and operation of the flow battery. The calculations demonstrate: (1) an optimum electrode thickness and electrolyte flow rate exist; (2) the amount of hydrogen evolved and, hence, cycle faradaic efficiency, can be affected by cell geometry, flow rate, and charging procedure; (3) countercurrent flow results in enhanced cell performance over cocurrent flow; and (4) elevated temperature operation enhances cell performance.

Fedkiw, P. S.↗
NASA NTRS1987

Parabolic heavy ion flow in the polar magnetosphere

Recent observations by the Dynamics Explorer 1 satellite over the dayside polar cap magnetosphere have indicated downward flows of heavy ions such as O(+), O(2+), N(+), and N(2+) with flow velocities of the order 1 km/s (Lockwood et al., 1985). These downward flows were interpreted as the result of 'parabolic' flow of these heavy ionospheric ions from a source region associated with the polar cleft topside ionosphere. Here, a two-dimensional kinetic model is utilized to elicit features of the transport of very low energy O(+) ions from the cleft ionosphere. Bulk parameter (density, flux, thermal energies, etc.) distributions in the noon-midnight meridian plane illustrate the effects of varying convection electric fields and source energies. The results illustrate that, particularly under conditions of weak convection electric fields and weak ion heating in the cleft region, much of the intermediate altitude polar cap magnetosphere may be populated by downward flowing heavy ions. It is further shown how two-dimensional transport effects may alter the characteristic vertical profiles of densities and fluxes from ordinary profiles computed in one-dimensional steady-state models.

Horwitz, J. L.↗
NASA NTRS1987

MPD thruster plasma instability studies

Results of an ongoing experimental/theoretical effort to understand the influence of plasma waves and instabilities upon coaxial plasma thruster performance and longevity are discussed. An experiment which permits measurement of the plasma dispersion relation plus a suite of plasma parameters for each one millisecond quasi-steady discharge is described. This investigation is guided by a linearized Boltzmann-Poisson kinetic numerical model which can accommodate the effects of collisions, inhomogeneities and the magnetic field. Preliminary tests reveal the presence of the low-frequency branch of an ion cyclotron wave. Although the stability of these waves still has to be established through spatial growth rate measurements, it is well known that they are prone to 'current-driven' instabilities. 'Current-driven' instabilities in the collisional tensor conducting plasma of the MPD thruster are analytically discussed and their relevance to the MPD plasma is illustrated by estimating a critical total current at which their onset occurs.

Kelly, A. J.↗
NASA NTRS1992

Analysis of the effect of initial conditions on the initial development of a turbulent jet

The effect of the initial condition at the jet exit on the downstream evolution, particularly within the potential core length, were numerically investigated as well as with available experimental data. In order to select the most dependable computational model for the present numerical experiment, a comparative study has been performed with different turbulence models at k-epsilon level, and it was found that the k-epsilon-gammma model yields superior prediction accuracy over other conventional models. The calculated results show that the potential core length and the spreading rate the initial mixing layer are dependent on the initial length scale as well as the turbulent kinetic energy at the jet exit. Such effect of the initial length scale increases with higher initial turbulence level. An empirical parameter has been devised to collapse the calculated data of the potential core length and the spreading rate with various initial conditions onto a single curve.

Kim, Soong KI↗
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.↗