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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 325 records · Page 18

Tunable electron–flexural phonon interaction in graphene heterostructures

Peculiar electron-phonon interaction characteristics underpin the ultrahigh mobility, electron hydrodynamics, superconductivity, and superfluidity observed in graphene heterostructures. Here, the Lorenz ratio (L) between the electronic thermal conductivity and the product of the electrical conductivity and temperature provides unique insight into electron-phonon interactions that is inaccessible to past graphene measurements. Here we show an unusual L peak in degenerate graphene near 60 Kelvin and decreased peak magnitude with increased mobility. When combined with ab initio calculations of the many-body electron-phonon self-energy and analytical models, this experimental observation reveals that broken reflection symmetry in graphene heterostructures can relax a restrictive selection rule to allow quasielastic electron coupling with an odd number of flexural phonons, contributing to the increase of L toward the Sommerfeld limit at an intermediate temperature sandwiched between the low-temperature hydrodynamic regime and the inelastic electron-phonon scattering regime above 120 Kelvin. In contrast to past practices of neglecting flexural phonon contributions to transport in two-dimensional materials, this work suggests that tunable electron-flexural phonon coupling can provide a handle to control quantum matter at the atomic scale, such as magic angle twisted bilayer graphene where low-energy excitations may mediate Cooper pairing of flat-band electrons.

36 MATERIALS SCIENCE↗

Data-based filtered dissipation rate modelling for multi-modal turbulent combustion: evaluating a priori model generalizability

Manifold-based models offer a computationally efficient alternative to directly transporting the thermochemical state in computational simulations of turbulent reacting flows, projecting the high-dimensional thermochemical state-space onto a low-dimensional manifold. Recent efforts have yielded a manifold-based model applicable to multi-modal combustion, enabling reconstruction of the thermochemical state from solutions to two-dimensional manifold equations in mixture fraction and generalized progress variable that are parameterised by three scalar dissipation rates. In coarse-grained simulations such as Large Eddy Simulation (LES), closure of the multi-modal manifold equations and subfilter variances/covariance requires closure of three filtered scalar dissipation rates. Here, the present work adopts a data-based approach, providing closure for the three filtered scalar dissipation rates via deep neural networks (DNNs). High-fidelity datasets corresponding to an autoigniting n-dodecane jet flame and a bluff body swirl-stabilized confined lifted spray flame of two aviation fuels (Jet-A and C1) with different ignition propensities are leveraged to generate training data that spans a diverse range of thermodynamic conditions and combustion modes, including low- and high-temperature ignition regimes in addition to premixed and nonpremixed behaviour. A final DNN model is trained to enforce inherent physical constraints by learning nonlinear functional transformations of the three filtered scalar dissipation rates. The generalizability of this constrained DNN model is demonstrated a priori via conditional statistics evaluated on the lifted spray flame with C1–a configuration that had not been included in the training data. Excellent DNN agreement with conditional DNS statistics is observed, and integrated gradients are computed to identify the most sensitive input variables. The similarity of the marginal PDFs of the most informative input variables and outputs across configurations are quantified via the Wasserstein metric, demonstrating that data-based models may successfully generalize to unseen parametric conditions so long as the most informative input variables share similar distributions across training and testing datasets.

Data-based modelling↗

Extremely large magnetoresistance in high-mobility SrNbO 3 /SrTiO 3 heterostructures

In this report an extremely large linear magnetoresistance (LMR) is a ubiquitous phenomenon emerging from topological Dirac and Weyl semimetals. However, the connection between an LMR and a nontrivial topology is under extensive debate. In this paper, by precisely controlling the thickness of SrNbO 3 thin films grown on SrTiO 3 substrates, we observe an LMR over a large carrier density range with a magnetoresistance as high as 150000% at a carrier density n~10 21 cm -3 , far away from the quantum-limit regime. The temperature-, magnetic-field-, and carrier-density-dependent LMR in SrNbO 3 /SrTiO 3 heterostructures provides compelling evidence of a mobility-driven LMR in coherent electronic systems. Our results uncover the general principle of an LMR and shed light on proper categorization of transport properties in topological and correlated materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Rapid Assessment of Autoignition Propensity in Novel Fuels and Blends

We developed a computational strategy to correlate bulk combustion metrics of novel fuels and blends in the low-temperature autoignition regime with measurements of key combustion intermediates in a small-volume, dilute, high-pressure reactor. We used neural net analysis of a large simulation dataset to obtain an approximate correlation and proposed experimental and computational steps needed to refine such a predictive correlation. We also designed and constructed a high-pressure laboratory apparatus to conduct the proposed measurements and demonstrated its performance on three canonical fuels: n-heptane, i-octane, and dimethyl ether.

10 SYNTHETIC FUELS↗

Quantitative comparisons of electron-scale turbulence measurements in NSTX via synthetic diagnostics for high-k scattering.

Two synthetic diagnostics are implemented for the high-k scattering system in NSTX [D. R. Smith, E. Mazzucato, W. Lee, H. K. Park, C. W. Domier, and N. C. Luhmann Jr., Rev. Sci. Instrum., 79, 123501 (2008)] allowing direct comparisons between synthetic and experimentally detected frequency and wavenumber spectra of electron-scale turbulence fluctuations. Synthetic diagnostics were formulated in real-space and in wavenumber space, and were deployed to realistic electron-scale simulations carried out with the GYRO code [J. Candy and R. E. Waltz, J. Comput. Phys. 186 (2003) 545]. A highly unstable ETG regime (electron temperature gradient mode) in a modest beta NSTX NBI-heated H-mode discharge was chosen for the analysis. Mapping the measured wavenumbers to field aligned coordinates showed that the high-k system is sensitive to fluctuations that are closer to the spectral peak in the density fluctuation wavenumber spectrum (streamers) than originally predicted. Analysis of synthetic spectra show that the frequency response of the detected fluctuations is dominated by Doppler shift and insensitive to the turbulence drive. The shape of the high-k density fluctuation wavenumber spectrum is sensitive to the ETG turbulence drive conditions, and can be reproduced in a sensitivity scan of the most pertinent turbulent drive terms in the simulation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Exoelectronic emission of particles of lunar surface material

A secondary electron multiplier was used to study the thermostimulated exoelectronic emission of particles of lunar surface material returned by the Soviet Luna 16 automatic station. The natural exoemission from fragments of slag, glass, anorthosite, and a metallic particle was recorded in the isochronic and isothermal thermostimulation regimes. The temperature of emission onset depended on the type of regolith fragment. For the first three particles the isothermal drop in emission is described by first-order kinetic equations. For the anorthosite fragment, exoemission at constant temperature is characterized by a symmetric curve with a maximum. These data indicate the presence of active surface defects, whose nature can be due to the prehistory of the particles.

Mints, R. I.↗

The thermal structure of Jupiter. II - Observations and analysis of 8-14 micron radiation

Observations of Jovian limb structure at 8.11 and 8.45 microns are reported. These are used along with other limb structure and spectral data in the 8-14 micron region to derive a model of the thermal and cloud structure within the 1.0-0.01 bar pressure regime. The temperature is about 165 K at 1.00 bar, 108 K at 0.10 bar, and 143 K at 0.03 bar. In zones, an optically opaque cloud of NH3 exists near the 143 K (0.60 bar) level. A partly transparent haze of solid NH3 particles overlies the cloud. Belts are free of the cloud and have a much lower abundance of NH3 haze than the zones. The data are consistent with an NH3 gas abundance defined by saturation equilibrium, with a mixing ratio of 0.00015 deep in the atmosphere, and with a CH4 mixing ratio of 0.002, about three times the currently accepted value.

Orton, G. S.↗

Laboratory studies of charged particle erosion of SO2 ice and applications to the frosts of Io

The removal and/or redistribution of SO2 frosts on the surface of the first Galilean satellite, Io, can occur through the erosion of these frosts by the magnetosphere particle environment of the satellite. The energy, species, and temperature dependence of the erosion rates of SO2 ice films by charged particles have been studied in laboratory experiments. Rutherford backscattering and thin film techniques are used in the experiments. The ice temperature is varied between about 10 K and the sublimation temperature. The erosion rates are found to have a temperature-independent and a temperature-dependent regime and to be much greater, for 10-2000 keV ions, than those predicted by the usual sputtering process. The laboratory results are used together with measured magnetosphere particle fluxes in the vicinity of Io to estimate the erosion rates of SO2 ice films from the satellite and implications therefrom on an SO2 atmosphere on Io.

Lanzerotti, L. J.↗

Determination of the Darcy permeability of porous media including sintered metal plugs

Sintered-metal porous plugs with a normal size of the order of 1-10 microns are used to evaluate the Darcy permeability of laminar flow at very small velocities in laminar fluids. Porous media experiment results and data adduced from the literature are noted to support the Darcy law analog for normal fluid convection in the laminar regime. Low temperature results suggest the importance of collecting room temperature data prior to runs at liquid He(4) temperatures. The characteristic length diagram gives a useful picture of the tolerance range encountered with a particular class of porous media.

Frederking, T. H. K.↗

Nonlocal analysis of finite-beam-driven instabilities

The fully kinetic integral eigenmode equation in wave-number space is used to describe the nonlocal behavior of electrostatic waves in an electron-beam plasma, which are studied in the low-temperature-beam regime and the warm-beam regime. The case of strongly magnetized electrons and unmagnetized ions, which corresponds to the waves in a frequency range from the lower-hybrid to the electron plasma frequency, is examined. Three wave modes are found. The first group consists of modes that have dispersive properties similar to the uniform, infinite beam-plasma system. Depending on the beam width, the growth rates are strongly reduced. The second group, surface modes, are localized at the periphery of the beam region and are less unstable than the unstable modes of the first group. The third group represents natural oscillations of the background plasma. These modes are virtually unaffected by the beam.

Serizawa, Y.↗

Design and test of an object-oriented GIS to map plant species in the Southern Rockies

Elevational and latitudinal shifts occur in the flora of the Rocky Mountains due to long term climate change. In order to specify which species are successfully migrating with these changes, and which are not, an object-oriented, image-based geographic information system (GIS) is being created to animate evolving ecological regimes of temperature and precipitation. Research at the Earth Data Analysis Center (EDAC) is developing a landscape model that includes the spatial, spectral and temporal domains. It is designed to visualize migratory changes in the Rocky Mountain flora, and to specify future community compositions. The object-oriented database will eventually tag each of the nearly 6000 species with a unique hue, intensity, and saturation value, so their movements can be individually traced. An associated GIS includes environmental parameters that control the distribution of each species in the landscape, and satellite imagery is used to help visualize the terrain. Polygons for the GIS are delineated as landform facets that are static in ecological time. The model manages these facets as a triangular irregular net (TIN), and their analysis assesses the gradual progression of species as they migrate through the TIN. Using an appropriate climate change model, the goal will be to stop the modeling process to assess both the rate and direction of species' change and to specify the changing community composition of each landscape facet.

Morain, Stanley A.↗

Spray Cooling And The Next Generation Of NASA Space Flight

This viewgraph presentation discusses spray cooling as it applies to thermal management of the new ESMD (Exploration Systems Mission Directorate) programs. It is concluded that given the targeted heat flux and temperature operating regimes, spray cooling is a viable option, although further technology development will be required.

Silk, Eric↗

Effect of Temperature on the Deformation Behavior of B2 Austenite in a Polycrystalline Ni49.9Ti50.1 (at.Percent) Shape Memory Alloy

Superelasticity in austenitic B2-NiTi is of great technical interest and has been studied in the past by several researchers [1]. However, investigation of temperature dependent deformation in B2-NiTi is equally important since competing mechanisms of stress-induced martensite (SIM), retained martensite, plastic and deformation twinning can lead to unusual mechanical behaviors. Identification of the role of various mechanisms contributing to the overall deformation response of B2-NiTi is imperative to understanding and maturing SMA-enabled technologies. Thus, the objective of this work was to study the deformation of polycrystalline Ni49.9Ti50.1 (at. %) above A(sub f) (105 C) in the B2 state at temperatures between 165-440 C, and generate a B2 deformation map showing active deformation mechanisms in different temperature-stress regimes.

Garg, A.↗

Examination of a Methane/Diesel RCCI Engine Using Pele: Preprint

Multi-fuel, advanced injection strategies have become increasingly promising as a strategy to mitigate the emissions generated from internal combustion engines. By carefully controlling the combustion phasing in-cylinder, these new multi-pulse, multi-fuel injection strategies are able to burn in the low-temperature combustion regime where both NOx and soot are not readily produced, reducing the need for extensive exhaust gas recirculation systems. In this study, we examine a reactivity-controlled compression ignition (RCCI) strategy that uses an early pre-filled methane-air mixture with low turbulence background as the low-reactivity fuel and a direct injection of four discrete dodecane jets as a surrogate for the high-reactivity diesel fuel. We use the Pele software suite, a highly optimized, exascale-ready, adaptive mesh refinement codebase to perform high-resolution numerical simulations of a scaled down, single cylinder from the RCCI engine. Here, we resolve the ignition kernels down to micrometer scales and present several statistical quantities evaluating the development of the flow and detailing the onset of ignition and subsequent flame development. Particular attention is paid to the conditions surrounding the onset of the first ignition kernels and discussing what led to the development of those conditions.

CFD↗

Flow regimes in a shallow rotating cylindrical annulus with temperature gradients imposed on the horizontal boundaries

Experimental flow regime diagrams are determined for a new rotating cylindrical annulus configuration which permits a measure of control over the internal vertical temperature gradient. The new annulus has radial temperature gradients imposed on plane horizontal thermally conducting endwalls (with the cylindrical sidewalls as insulators) and is considered to be more relevant to atmospheric dynamics studies than the classical cylindrical annulus. Observations have revealed that, in addition to the axisymmetric flow and nonaxisymmetric baroclinic wave flow which occur in the classical annulus, two additional nonaxisymmetric flow types occur in the new annulus: boundary-layer thermal convection and deep thermal convection. Flow regime diagrams for three different values of the imposed vertical temperature difference are presented, and explanations for the flow transitions are offered. The new annulus provides scientific backup for the proposed Atmospheric General Circulation Experiment for Spacelab. The apparatus diagram is included.

Hathaway, D. H.↗

Oxidation Behavior of GRCop-84 (Cu-8Cr-4Nb) at Intermediate and High Temperatures

The oxidation behavior of GRCop-84 (Cu-8 at %Cr-4 at %Nb) has been investigated in air and in oxygen, for durations of 0.5 to 50 hours and temperatures ranging from 500 to 900 C. For comparison, data was also obtained for the oxidation of Cu and NARloy-Z (Cu-3 wt% Ag-0.5 wt% Zr) under the same conditions. Arrhenius plots of those data showed that all three materials had similar oxidation rates at high temperatures (> 750 C). However, at intermediate temperatures (500 to 750 C) GRCop exhibited significantly higher oxidation resistance than Cu and NARloy-Z. The oxidation kinetics of GRCop-84 exhibited a sharp and discontinuous jump between the two regimes. Also, in the high temperature regime GRCop-84 oxidation rate was found to change from a high initial value to a significantly smaller terminal value at each temperature, with progress of oxidation; the two different oxidation rates were found to correlate with a porous intial oxide and a dense final oxide, respectively.

Thomas-Ogbuji, Linus U.↗

Triangular lattice Hubbard model physics at intermediate temperatures

Moiré systems offer an exciting playground to study the many-body effects of strongly correlated electrons in regimes that are not easily accessible in conventional material settings. Motivated by a recent experiment on WSe 2 /WS 2 moiré bilayers [Y. Tang et al., Nature (London) 579, 353 (2020)], which realized a triangular superlattice with a small hopping (of approximately 10 Kelvin), with tunable density of holes, we explore the Hubbard model on the triangular lattice for intermediate temperatures t ≲ T < U. Employing finite-temperature Lanczos calculations and closely following the fitting protocols used in the experiment, we recover the observed trends in the reported Curie-Weiss temperature Θ with filling, using the reported interaction strength U/t=20. Here, we focus on the large increase of |Θ| on decreasing the density below half filling and the sign change of Θ at higher fillings, which signals the onset of ferromagnetism. The increase in |Θ| is also seen in the t–J model (the low-energy limit of the Hubbard model) in the intermediate temperature range, which we clarify is opposite to the trend in its high temperature limit. Differences between the low, intermediate, and high temperature regimes are discussed. Our numerical calculations also capture the crossover between short-range antiferromagnetic to ferromagnetic order in the intermediate temperature regime, a result broadly consistent with the experimental findings. We find that this behavior is a finite-temperature remnant of the underlying zero-temperature phase transition, which we explore with ground-state density matrix renormalization group calculations. We provide evidence of ferromagnetism characterized by weak (but robust) correlations that explain the small Θ seen in the experiment.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Mechanistic nuclear fuel performance modeling of uranium nitride

Uranium mononitride (UN) is a nuclear fuel candidate for advanced reactor designs and an alternative being considered for light water reactors due to its higher thermal conductivity and uranium density than UO 2 . As with any nuclear fuel, swelling and fission gas release are important factors for safety, while also being some of the hardest phenomena to predict with a high degree of confidence. Getting a grasp on the gas swelling behavior and release is crucial to lower the barrier for UN utilization. An accelerated swelling rate at high temperatures observed experimentally, sometimes referred to as “breakaway swelling,” further complicates the prediction of fuel performance of UN. A mechanistic model has been developed using a multiscale approach to describe the intragranular and intergranular fission gas behavior. Lower-length-scale calculations have been employed to inform models of the gas and self-diffusion behavior, resolution rate, and bubble shape. Leveraging previous work on high burnup UO 2 , two populations of intragranular bubbles are considered; small bulk bubbles and larger bubbles located along dislocations. The dislocation bubbles were found to be crucial to the overall swelling behavior, and the breakaway swelling transition was associated with the transition in the gas atom diffusion mechanism from an irradiation-induced athermal diffusion regime at lower temperatures to an intrinsic thermal equilibrium regime at higher temperatures, accelerating the growth of the dislocation bubbles. Similarly, the threshold for fission gas release was associated with the grain boundary vacancy diffusivity surpassing the gas atom diffusivity at sufficiently high temperatures, allowing the over-pressurized grain boundary bubble to grow in size and interconnect. Using thermo-mechanical models with the fission gas model, two integral fuel pin assessment cases were simulated. Finally, this work demonstrates the ability of a multiscale approach to accelerate the understanding of advanced fuel forms when experimental data is limited.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗