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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 523 records · Page 29

Reducing dielectric loss and enhancing electrical insulation for multilayer polymer films by nanoconfined ion transport under high poling electric fields

High temperature polar polymers have demonstrated potential for good thermal stability and high dielectric constant at the same time. However, polarization of contaminated impurity ions in polar polymers, even at the ppm level, can significantly increase the dielectric loss at high temperature and low frequencies. One effective strategy to mitigate this problem is to multilayer them with a high temperature nonpolar dielectric polymer to confine impurity ion transport at the nanometer scale. In this study, confined ion transport in high temperature polycarbonate (HTPC)/poly(vinylidene fluoride) (PVDF) multilayer films under high AC electric fields was studied using a direct analytical simulation method. Different from the ion transport under low fields, the ion diffusion model failed to describe the ion transport under high electric fields. An exponential ion distribution profile, which was observed for the DC poling situation, was employed to implement the direct analytical simulation. Confined impurity ion transport under high AC fields was quantitatively understood. As the AC field increased, the mobile ion concentration decreased whereas the diffusion coefficient increased. The decrease of mobile ion concentration was explained by the blockage of impurity ions by the HTPC layers. This knowledge helped in the determination of optimal conditions to polarize impurity ions from the PVDF layers into the HTPC layers. After cooling below the glass transition temperature of HTPC, polarized impurity ions were locked inside the HTPC layers. As a result, increased discharge efficiency and enhanced electrical insulation (i.e., increased dielectric breakdown strength) were achieved for the polarized multilayer films.

36 MATERIALS SCIENCE↗

Performance characterization of nanofiltration, reverse osmosis, and ion exchange technologies for acetic acid separation

A major obstacle to widespread implementation of bio-based fuels and chemicals is the lack of efficient and costeffective separation methods. To purify acetic acid produced by biochemical conversion of biomass via anaerobic digestion, this work employs two commonly used separation technologies: (1) ion-exchange (IX) resin and (2) pressure-driven membranes. This study tested five commercially available strong- and weak-base anion-exchange resins and five commercially available nanofiltration (NF) and reverse osmosis (RO) membranes. The pH of the feed solution significantly affected adsorption capacity. At pH 6.3, a strong-base IX resin (IRN-78) performed best (95.1% acetate removal). With strong-base IX resins, the Langmuir isotherm model fit well, whereas for weak-base IX resins, the Freundlich isotherm provided a better fit. A pseudo-second-order kinetic model fit well for both IRN-78 and IRA-67. Regarding membrane separation, RO (BW30XFR membrane) achieved the highest rejection (98.6% acetate rejection), whereas an NF membrane (NF*) achieved the best combination of permeate flux (105 L/(h∙m 2 )) and rejection (83.1% acetate rejection). For membrane performance, the experimental data were fit using the solution diffusion model. Increased pH in the feed solution lowered permeate flux but increased acetic acid rejection. Finally, then the acetic acid concentration in the feed solution increased, both permeate flux and acetic acid rejection decreased for membrane NF*.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Accumulation of Antifreeze Proteins on Ice Is Determined by Adsorption

Antifreeze proteins (AFPs) enable the survival of organisms in freezing environments by binding to ice crystals and suppressing their growth. The rate at which AFPs accumulate on ice is determined by an interplay between their diffusion from the aqueous solution and their adsorption to the ice crystal. To interrogate the relative importance of these two processes, we combined fluorescence experiments with reaction–diffusion modeling. We found that as AFPs accumulate on ice, their concentration in the aqueous solution does not develop a gradient but remains equal to its bulk concentration throughout our experiments. Furthermore, these findings led us to conclude that AFP accumulation on ice crystals, which are smaller than 100 μm in radius, is not limited by the diffusion of AFPs, but by the kinetics of AFP adsorption.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

From disorganized data to emergent dynamic models: Questionnaires to partial differential equations

Starting with sets of disorganized observations of spatially varying and temporally evolving systems, obtained at different (also disorganized) sets of parameters, we demonstrate the data-driven derivation of parameter dependent, evolutionary partial differential equation (PDE) models capable of generating the data. This tensor type of data is reminiscent of shuffled (multidimensional) puzzle tiles. The independent variables for the evolution equations (their “space” and “time”) as well as their effective parameters are all emergent , i.e. determined in a data-driven way from our disorganized observations of behavior in them. We use a diffusion map based questionnaire approach to build a smooth parametrization of our emergent space/time/parameter space for the data. This approach iteratively processes the data by successively observing them on the “space,” the “time” and the “parameter” axes of a tensor. Once the data become organized, we use machine learning (here, neural networks) to approximate the operators governing the evolution equations in this emergent space. Our illustrative examples are based (i) on a simple advection–diffusion model; (ii) on a previously developed vertex-plus-signaling model of Drosophila embryonic development; and (iii) on two complex dynamic network models (one neuronal and one coupled oscillator model) for which no obvious smooth embedding geometry is known a priori. This allows us to discuss features of the process like symmetry breaking, translational invariance, and autonomousness of the emergent PDE model, as well as its interpretability.

generative models↗

Modelling Tritium Production and Release at High-Energy Proton Accelerators

Tritium is a well-known byproduct of particle accelerator operations. To keep levels of tritium below regulatory limits, tritium production is actively monitored and managed at Fermilab. We plan to study tritium production in the targets, beamline components, and shielding elements of the Fermilab facilities such as NuMI, BNB, and MI-65. To facilitate the analysis, we construct a simple model and use three Monte Carlo radiation codes, FLUKA, MARS, and PHITS, to estimate the amount of tritium produced in these facilities. The analysis could also serve as an intercomparison between these code results related to tritium production. To assess the actual amounts of tritium that would be released from various materials, we employ a semi-empirical diffusion model. The results of this analysis are compared to experimental data whenever possible. This approach also helps to optimize proposed target materials with respect to the tritium production and release.

Georgobiani, Dali [Fermilab]↗

New Results from Fermi-LAT and Their Implications for the Nature of Dark Matter and the Origin of Cosmic Rays

The measured spectrum is compatible with a power law within our current systematic errors. The spectral index (-3.04) is harder than expected from previous experiments and simple theoretical considerations. "Pre-Fermi" diffusive model requires a harder electron injection spectrum (by 0.12) to fit the Fermi data, but inconsistent with positron excess reported by Pamela if it extends to higher energy. Additional component of electron flux from local source(s) may solve the problem; its origin, astrophysical or exotic, is still unclear. Valuable contribution to the calculation of IC component of diffuse gamma radiation.

Moiseev, Alexander↗

Polarized imaging of visible synchrotron emission from runaway electron plateaus in DIII-D

A new approach to estimate the pitch angle of highly energetic postdisruption runaway electrons is presented by imaging the polarized runaway electron synchrotron emission. The vertical to horizontal polarization ratio is found to range between 3 and 14 in image-average studies looking at repeated shots as well as the polarization in a single discharge. Numerical studies with guiding center and full orbit simulations performed with the SOFT and KORC codes are given and compared to the experiment. The pitch angle evolution analyzed using a 1D impurity diffusion model in combination with kinetic simulations is also presented. Furthermore, these studies find agreement in the magnitude of the pitch angle, but not in the temporal rate of change of pitch angle. The measured pitch angle evolution timescale of order 50 ms falls between a modeled timescale of 20 ms in an equilibrium model and >>100 ms in a nonequilibrium model.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Optimal Experimental Design for Inverse Problems in the Presence of Observation Correlations

Optimal experimental design (OED) is the general formalism of sensor placement and decisions on the data collection strategy for engineered or natural experiments. This problem is prevalent in many critical fields such as battery design, numerical weather prediction, geosciences, environmental and urban studies. State-of-the-art computational methods for experimental design do not accommodate correlation structure in observational errors produced by many expensive-to-operate devices such as X-ray machines, radars, and satellites. Discarding evident data correlations leads to biased results, higher expenses, and waste of valuable resources. We present a general formulation of the OED formalism for model-constrained large-scale Bayesian linear inverse problems, where measurement errors are generally correlated. The proposed approach utilizes the Hadamard product of matrices to formulate the weighted-likelihood, and is valid for both finite as well as infinite-dimensional Bayesian inverse problems. Extensive numerical experiments are carried out for empirical verification of the proposed approach using an advection-diffusion model, where the objective is to optimally place a small set of sensors, under a limited budget, to predict the concentration of a contaminant in a closed and bounded domain.

Correlated observations↗

The First Fermi-LAT SNR Catalog and Cosmic Ray Implications

While supernova remnants (SNRs) are widely thought to be powerful cosmic-ray accelerators, indirect evidence comes from a small number of well-studied cases. Here we systematically determine the gamma-ray emission detected by the Fermi Large Area Telescope (LAT) from all known Galactic SNRs, disentangling them from the sea of cosmic-ray generated photons in the Galactic plane. Using LAT data we have characterized the 1-100 GeV emission in 279 regions containing SNRs, accounting for systematic uncertainties caused by source misattribution and instrumental response. We classified 30 sources as SNRs, using spatial overlap with the radio emission position. For all the remaining regions we evaluated upper limits on SNRs' emission. In the First Fermi-LAT SNR Catalog there is a study of the common characteristics of these SNRs, such as comparisons between GeV, radio and TeV quantities. We show that previously satisfactory models of SNRs' GeV emission no longer adequately describe the data. To address the question of cosmic ray (CR) origins, we also examine the SNRs' maximal CR contribution assuming the GeV emission arises solely from proton interactions. Improved breadth and quality of multiwavelength (MW) data, including distances and local densities, and more, higher resolution gamma-ray data with correspondingly improved Galactic diffuse models will strengthen this constraint.

de Palma, F.↗

The First Fermi-LAT SNR Catalog and Cosmic Ray Implications

While supernova remnants (SNRs) are widely thought to be powerful cosmicray accelerators, indirect evidence comes from a small number of well-studied cases. Here we systematically determine the gamma-ray emission detected by the ermi Large Area Telescope (LAT) from all known Galactic SNRs, disentangling them from the sea of cosmic-ray generated photons in the Galactic plane. Using LAT data we have characterized the 1-100 GeV emission in 279 regions containing SNRs, accounting for systematic uncertainties caused by source misattribution and instrumental response. We classified 30 sources as SNRs, using spatial overlap with the radio emission position. For all the remaining regions we evaluated upper limits on SNRs' emission. In the First Fermi-LAT SNR Catalog there is a study of the common characteristics of these SNRs, such as comparisons between GeV, radio and TeV quantities. We show that previously satisfactory models of SNRs' GeV emission no longer adequately describe the data. To address the question of cosmic ray (CR) origins, we also examine the SNRs' maximal CR contribution assuming the GeV emission arises solely from proton interactions. Improved breadth and quality of multiwavelength (MW) data, including distances and local densities, and more, higher resolution gamma-ray data with correspondingly improved Galactic diffuse models will strengthen this constraint.

de Palma, F.↗

In-Situ Spatial Mapping of Hydrogen in Yttrium Hydrides at LANSCE (FY23 Version, Rev. 1)

This report summarizes the development of neutron imaging capabilities and experimental activities performed at the Los Alamos Neutron Science Center (LANSCE) with the main goal of measuring temperature-driven hydrogen diffusion within bulk-yttrium hydride (YH x ) materials. Yttrium hydride is the leading candidate to serve as a solid neutron moderator in microreactor cores, owing to its high density of hydrogen atoms as well as its superior thermal stability compared to all other metal hydrides. The experimental results and technique developments reported herein support the U.S. Department of Energy Office of Nuclear Energy’s (DOE-NE) Microreactor Program under Technology Maturation. In particular, it addresses the critical need to experimentally validate and verify hydrogen-diffusion models of metal hydrides used in high-temperature microreactor designs by means of high-spatial-resolution neutron imaging. These capabilities were designed to apply large temperature gradients across centimeter-sized YH x pellets to simulate conditions faced in the microreactor environment. In principle, neutron imaging, combined with in-situ sample heating, enables near real-time tracking of hydrogen diffusion in YH x on the sub-millimeter scale. In this report, an overview of neutron imaging methodology and technologies are given in the context of recent spatial measures of hydrogen concentrations in similar metal hydrides. Additionally, the commissioning and operation of a custom-built compact dual-zone furnace is given along with details on three in-situ heating measurements of YH x performed over the 2020 to 2022 LANSCE operation cycles. The aims of these experiments ranged from furnace commissioning, determining sample quality, i.e., hydrogen uniformity via neutron computed tomography, and studying the effects of applied temperature-gradients on YH x pellets. Analyses and results from these neutron imaging measurements are given along with outlooks and guidelines for optimal future hydrogen diffusion measurements. Our conclusions are as follows. Image analyses indicate that centimeter-sized yttrium hydride cylindrical pellets exhibit uniform, whole-body hydrogen desorption and absorption without clear temperature dependence as reflected in the image attenuation at the opposing ends of each sample. This suggests that despite the large magnitude in temperature gradients applied by the furnace heating elements, the sample equilibrates to an unknown intermediate temperature. The origin of this result is likely the combination of short sample length (∼1cm) and use of a TZM can for containment where the latter created a thermal short across the sample. Nevertheless, the results from the most recent measurements indicate that neither significant concentration gradients of hydrogen were formed in centimeter-sized samples through the entire temperature range (25 °C to 950 °C) nor any formed due to temperature gradients on the order of 50 °C/cm up to 700 °C/cm. Furthermore, images from the FY2021 and FY2022 measurements indicate that samples of YH x , fabricated from either the direct hydride or powder metallurgy methods, are highly uniform in their hydrogen concentration to within the measurements’ spatial resolutions. The following questions arise from these latest results: 1) What is the intermediate temperature of the pellets in the TZM cans? 2) How quickly does the temperature equilibrate within the sample? and, 3) Do the observed changes in image attenuation follow known pressure-composition-temperature relations of yttrium hydride?

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Electrets used in measuring rocket exhaust effuents from a Space Shuttle model

The study evaluates the use of electrets as a new contamination-detecting device designed to assess the chemical composition of rocket effluents. Evaluation of electret effectiveness revealed that electrets have multipollutant-measuring capability, simplicity of deployment and rapidity of assessment. Advantages of electrets are small size, light weight and cost-effectiveness. It is shown that electrets compare favorably with other HCl measuring devices. In particular, the summary of the measured data from electrets and HCl detectors is within the limits of computed HCl concentrations from the NASA/MSFC multilayer diffusion model.

Susko, M.↗

Status of Modifications to the AGR-3/4 Fission Product Transport Model

A one-dimensional (1D) finite-element model of the AGR 3/4 experiment fission product distributions based on the Multiphysics Object-Oriented Simulation Environment (MOOSE) framework has been revised and implemented within BISON, with improvements which allow for detailed temperature histories to be used for analyses. Empirically determined concentration profiles and ring inventories from the AGR-3/4 experiment have been compiled for comparison purposes. Ongoing efforts to build fission product diffusion models which can describe the applicable physics for isotopic concentration profiles in each AGR-3/4 capsule are discussed, as well as the suitability of each isotopic concentration profile in each capsule for obtaining transport parameters.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Quantitative Analysis of Planar Laser-Induced Fluorescence Measurements in a Hypersonic Boundary Layer

Several quantitative measurements extracted from nitric oxide (NO) planar laser-induced fluorescence (PLIF) data obtained in a hypersonic boundary layer are reported: (a) off-body NO mole fraction; (b) surface heat flux; and (c) near-wall static temperature. The experimental data was obtained at NASA Langley Research Center’s 31 in. Mach 10 air tunnel. NO was seeded into the flow through a spanwise slot on the surface of the 10 degree half-angle wedge model. An ultraviolet planar laser sheet was positioned perpendicular to the wedge surface, downstream of the seeding slot, to excite six fluorescence transitions. A method for extracting the relative NO mole fraction, based on spatial variations of the J”= 0.5 PLIF signal, is presented. Combined with the principle of mass conservation, the absolute NO mole fraction is determined. These measurements were used to assess CFD diffusion modelling, correct previously reported PLIF thermometry results, and develop methods for NO-PLIF heat transfer measurements.

McDougall, Connor C.↗

H Diffusion in Olivine and Pyroxene from Peridotite Xenoliths and a Hawaiian Magma Speedometer

Hydrogen is present as a trace element in olivine and pyroxene and its content distribution in the mantle results from melting and metasomatic processes. Here we examine how these H contents can be disturbed during decompression. Hydrogen was analyzed by FTIR in olivine and pyroxene of spinel peridotite xenoliths from Salt Lake Crater (SLC) nephelinites which are part of the rejuvenated volcanism at Oahu (Hawaii) [1,2]. H mobility in pyroxene resulting from spinel exsolution during mantle upwelling Most pyroxenes in SLC peridotites exhibit exsolutions, characterized by spinel inclusions. Pyroxene edges where no exsolution are present have less H then their core near the spinel. Given that H does not enter spinel [3], subsolidus requilibration may have concentrated H in the pyroxene adjacent to the spinel exsolution during mantle upwelling. H diffusion in olivine during xenolith transport by its host magma and host magma ascent rates Olivines have lower water contents at the edge and near fractures compared to at their core, while the concentrations of all other chemical elements appear homogeneous. This suggests that some of the initial water has diffused out of the olivine. Water loss from the olivine is thought to occur during host-magma ascent and xenolith transport to the surface [4-6]. Diffusion modeling matches best the data when the initial water content used is that measured at the core of the olivines, implying that mantle water contents are preserved at the core of the olivines. The 3225 cm(sup -1) OH band at times varies independantly of other OH bands, suggesting uneven H distribution in olivine defects likely acquired during mantle metasomatism just prior to eruption and unequilibrated. Diffusion times (1-48 hrs) combined with depths of peridotite equilibration or of magma start of degassing allow to calculate ascent rates for the host nephelinite of 0.1 to 27 m/s.

Peslier, A. H.↗

A Hydrodynamic Theory for Spatially Inhomogeneous Semiconductor Lasers: Numerical Results - 2

We present numerical results of the diffusion coefficients (DCs) in the coupled diffusion model derived in the preceding paper for a semiconductor quantum well. These include self and mutual DCs in the general two-component case, as well as density- and temperature-related DCs under the single-component approximation. The results are analyzed from the viewpoint of free Fermi gas theory with many-body effects incorporated. We discuss in detail the dependence of these DCs on densities and temperatures in order to identify different roles played by the free carrier contributions including carrier statistics and carrier-LO phonon scattering, and many-body corrections including bandgap renormalization and electron-hole (e-h) scattering. In the general two-component case, it is found that the self- and mutual- diffusion coefficients are determined mainly by the free carrier contributions, but with significant many-body corrections near the critical density. Carrier-LO phonon scattering is dominant at low density, but e-h scattering becomes important in determining their density dependence above the critical electron density. In the single-component case, it is found that many-body effects suppress the density coefficients but enhance the temperature coefficients. The modification is of the order of 10% and reaches a maximum of over 20% for the density coefficients. Overall, temperature elevation enhances the diffusive capability or DCs of carriers linearly, and such an enhancement grows with density. Finally, the complete dataset of various DCs as functions of carrier densities and temperatures provides necessary ingredients for future applications of the model to various spatially inhomogeneous optoelectronic devices.

Li, Jianzhong↗

Investigation of turbulent transport in an axisymmetric sudden expansion

Simultaneous two-component laser velocimeter measurements were made in the incompressible turbulent flowfield following an axisymmetric sudden expansion. Mean velocities, Reynolds stresses, and triple products were measured and are presented at axial positions ranging from x/H = 0.2-14. A balance of the turbulent kinetic energy in the flow was performed. The production, convection, and diffusion of turbulent kinetic energy were computed directly from the experimental data using central differencing. A specially designed correction lens was employed to correct for optical aberrations introduced by the circular tube. This lens system allowed the accurate simultaneous measurement of axial and radial velocities in the test section. The experimental measurements were compared to predictions generated by a code that employed the k-epsilon turbulence model. Agreement was good for mean axial velocities, turbulent kinetic energy, and turbulent shear stresses. However, the modeled turbulent normal stresses where in poor agreement with the measured values. The modeled diffusion of turbulent kinetic energy was underpredicted in the region between the shear layer and the centerline of the flow giving lower values of turbulent kinetic energy downstream of the potential core than measured.

Gould, Richard D.↗

A diffusion-limited aggregation model for the evolution of drainage networks

We propose a modified diffusion-limited aggregation (DLA) model for the evolution of fluvial drainage networks. Random walkers are introduced randomly on a grid, and each two-dimensional random walk proceeds until the walker finds a drainage network on which to accrete. This model for headward growth of drainage networks generates drainage patterns remarkably similar to actual drainages. The model also predicts statistical features which agree with actual networks, including the frequency-order (bifurcation) ratio (R(sub b) = 3.98) and the stream length-order (R(sub r) = 2.09). Using the definition of network fractal dimension D = log R(sub b)/log R(sub r), we find that our DLA model gives D = 1.87, near the observed range of D approximately equal to 1.80 - 1.85.

Masek, Jeffrey G.↗