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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 703 records · Page 39

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NASA NTRS1949

Application of Theodorsen's theory to propeller design

A theoretical analysis is presented for obtaining, by use of Theodorsen's propeller theory, the load distribution along a propeller radius to give the optimum propeller efficiency for any design condition. The efficiencies realized by designing for the optimum load distribution are given in graphs, and the optimum efficiency for any design condition may be read directly from the graph without any laborious calculations. Examples are included to illustrate the method of obtaining the optimum load distributions for both single-rotating and dual-rotating propellers.

Crigler, John L↗

NASA NTRS1974

Energy transfer in volume-reflecting heat shields

An approximate analysis of radiative transfer in highly scattering materials was developed based on the Kubelka-Munk differential equations--a set of two differential equations representing the spatial rate of change of radiative half-fluxes within the scattering media. These approximate solutions of the Kubelka-Munk equations together with analytic solutions for the steady state temperature distribution for two types of boundary conditions are given. These solutions show the influence of back surface reflectance, scattering power, incident radiative flux parameter and boundary conductive flux parameter on overall reflectance and temperature distributions. This radiation field analysis, adapted to spherical geometry, was applied to the evaluation of the thermal performance of teflon and fritted quartz as heat protection materials for entry into the atmosphere of Jupiter.

Weston, K. C.↗

NASA NTRS1994

Perpendicular electron heating by absorption of auroral kilometric radiation

We investigate the possibility of perpendicular heating of electrons and the generation of '90 deg -electron conics' by particle diffusion in velocity space due to wave-particle interaction with intense auroral kilometric radiation. This interaction is made possible by the downward shift in the R-X cutoff below the electron cyclotron frequency that occurs in the presence of warm plasma. We stimulate this condition and solve the diffusion equation using a finite difference algorithm. The results show strong perpendicular electron heating and indicate that the main characteristics of an electron conic distribution can be reproduced under these conditions.

Morgan, D. D.↗

DOE OSTI2022

Dynamics of deuterium retention and desorption from plasma-facing materials in fusion reactor-relevant conditions

Hydrogen isotopes retention and desorption during and after discharges in fusion devices are still not well understood due to the complex device conditions and limitations of in-situ diagnostics and measurements. Here, we simulated well-diagnosed recent experiments at the DIII-D facility to benchmark our ITMC-DYN integrated package of modeling deuterium diffusion, retention, and desorption during and after D discharge irradiation. Modeling results were compared with detail experimental data of D desorption fluxes for various irradiation conditions. We predicted the temporal evolution of free and trapped D distribution in tungsten (W) plasma-facing material (PFM). Effects of key parameters namely diffusion coefficient, recombination rate, trapping energies against different defect types, were examined in these simulations. Existing experimental data of these parameters in literature varies significantly which makes it harder to identify key mechanisms and physics responsible for hydrogen isotope retention and desorption. The purpose of this work is to accurately simulate recent well-diagnosed reactor experiments given the uncertainties in such parameters and identify mechanisms responsible for the retention and desorption. We implemented the best identified diffusion, recombination, and trapping parameters in ITMC-DYN package that integrate both various collisional and thermal processes. We predicted, for example, that sample cooling between discharges in DIII-D operations can significantly affect the spatial distribution of trapped D in W under reactor irradiation conditions. Correct prediction of desorption spectra from samples irradiated during 10 DIII-D discharges showed that up to 35% of D can be retained in high binding energy defects such as vacancy clusters or voids.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1996

Computational Methods for Frictional Contact With Applications to the Space Shuttle Orbiter Nose-Gear Tire

A computational procedure is presented for the solution of frictional contact problems for aircraft tires. A Space Shuttle nose-gear tire is modeled using a two-dimensional laminated anisotropic shell theory which includes the effects of variations in material and geometric parameters, transverse-shear deformation, and geometric nonlinearities. Contact conditions are incorporated into the formulation by using a perturbed Lagrangian approach with the fundamental unknowns consisting of the stress resultants, the generalized displacements, and the Lagrange multipliers associated with both contact and friction conditions. The contact-friction algorithm is based on a modified Coulomb friction law. A modified two-field, mixed-variational principle is used to obtain elemental arrays. This modification consists of augmenting the functional of that principle by two terms: the Lagrange multiplier vector associated with normal and tangential node contact-load intensities and a regularization term that is quadratic in the Lagrange multiplier vector. These capabilities and computational features are incorporated into an in-house computer code. Experimental measurements were taken to define the response of the Space Shuttle nose-gear tire to inflation-pressure loads and to inflation-pressure loads combined with normal static loads against a rigid flat plate. These experimental results describe the meridional growth of the tire cross section caused by inflation loading, the static load-deflection characteristics of the tire, the geometry of the tire footprint under static loading conditions, and the normal and tangential load-intensity distributions in the tire footprint for the various static vertical loading conditions. Numerical results were obtained for the Space Shuttle nose-gear tire subjected to inflation pressure loads and combined inflation pressure and contact loads against a rigid flat plate. The experimental measurements and the numerical results are compared.

Tanner, John A.↗

NASA NTRS1974

Use of potential flow theory to evaluate subsonic inlet data from a simulator-powered nacelle at cruise conditions

Incompressible potential flow theory corrected for compressibility effects, using the Lieblein-Stockman compressibility correction, was used to predict surface and flow field static pressures for a subsonic inlet at cruise conditions. The calculated internal and external surface static pressures were in good agreement with data at most conditions. The analysis was used to determine the capture stream-tube location and static-pressure distribution. Additive drag coefficients obtained from these results were consistently higher than those obtained using one-dimensional compressible flow theory. Increasing the distance between the inlet and boattail increased the cowl drag force. The effect of the boundary layer on internal and external surface static-pressure distributions was small at the design cruise condition. The analytical results may be used as an aid to data reduction and for predicting inlet mass flow, stagnation point location, and inlet additive drag.

Bober, L. J.↗

NASA NTRS1982

Comparison of transport equations based on Maxwellian and bi-Maxwellian distributions for anisotropic plasmas

A wide variety of plasma flow conditions is found in aeronomy and space plasma physics. Transport equations based on an isotropic Maxwellian vilecity distribution function can be used to describe plasma flows which contain 'small' temperature anisotropies. However, for plasma flows characterized by large temperature anisotropies, transport equations based on an anisotropic bi-Maxwellian (or two-temperature) velocity distribution function are expected to provide a much better description of the plasma transport properties. The present investigation is concerned with the extent to which transport equations based on both Maxwellian and bi-Maxwellian series expansions can describe plasma flows characterized by non-Maxwellian velocity distributions, giving particular attention to a modelling of the anisotropic character of the distribution function. The obtained results should provide clues as to the extent to which a given series expansion can account for the anisotropic character of a plasma.

Barakat, A. R.↗

NASA NTRS2006

Phased-Array Study of Dual-Flow Jet Noise: Effect of Nozzles and Mixers

A 16-microphone linear phased-array installed parallel to the jet axis and a 32-microphone azimuthal phased-array installed in the nozzle exit plane have been applied to identify the noise source distributions of nozzle exhaust systems with various internal mixers (lobed and axisymmetric) and nozzles (three different lengths). Measurements of velocity were also obtained using cross-stream stereo particle image velocimetry (PIV). Among the three nozzle lengths tested, the medium length nozzle was the quietest for all mixers at high frequency on the highest speed flow condition. Large differences in source strength distributions between nozzles and mixers occurred at or near the nozzle exit for this flow condition. The beamforming analyses from the azimuthal array for the 12-lobed mixer on the highest flow condition showed that the core flow and the lobe area were strong noise sources for the long and short nozzles. The 12 noisy spots associated with the lobe locations of the 12-lobed mixer with the long nozzle were very well detected for the frequencies 5 KHz and higher. Meanwhile, maps of the source strength of the axisymmetric splitter show that the outer shear layer was the most important noise source at most flow conditions. In general, there was a good correlation between the high turbulence regions from the PIV tests and the high noise source regions from the phased-array measurements.

Soo Lee, Sang↗

NASA NTRS2017

Experimental Investigation of Mars Science Laboratory Entry Vehicle Aeroheating in AEDC Hypervelocity Tunnel 9

An experimental investigation of the aeroheating environment of the Mars Science Laboratory entry vehicle was conducted in the Arnold Engineering Development Complex Hypervelocity Wind Tunnel 9. Testing was performed on a 6-in. (0.1524 m) diameter model in the tunnel's Mach 8 and Mach 10 nozzles at free stream Reynolds numbers from 4.1×10*exp 6)/ft to 49×10(exp 6)/ft and from 1.2×10(exp 6)/ft to 19×10(exp 6)/ft, respectively, using pure nitrogen test gas. These conditions spanned the boundary layer flow regimes from completely laminar to fully turbulent flow over the entire forebody. A computational fluid dynamics study was conducted in support of the wind tunnel testing. Laminar and turbulent solutions were generated for all wind tunnel test conditions and comparisons of predicted heating distributions were performed with the data. These comparisons showed agreement for most cases to within the estimated +/-12% experimental uncertainty margin for fully-laminar or fully-turbulent conditions, while transitional heating data were bounded by laminar and turbulent predictions. These results helped to define uncertainty margins on the use of computational tools for vehicle design.

Hollis, Brian R.↗

DOE OSTI2020

Two trillion gallons: Fuel savings from fuel economy improvements to US light-duty vehicles, 1975–2018

Since 1975, the fuel economy of new light-duty vehicles sold in the U.S. has almost doubled. Fuel economy improvements on laboratory tests gradually became real improvements on the road as newer, more efficient vehicles replaced older less efficient ones. Fleet-wide fuel economy gains produced large fuel savings. In this paper, we show that fuel economy gains measured on laboratory test cycles, adjusted for on-road conditions and weighted by the distribution of vehicles by age and their relative use, closely match estimates by the Federal Highway Administration based primarily on traffic counts and motor fuel tax records. Furthermore, adjusting for the rebound effect of fuel economy on vehicle miles traveled, we estimate the fuel savings, CO 2 emissions reductions and dollars saved on fuel due to fuel economy improvements over the past 43 years. Through the end of 2018, estimated cumulative fuel savings amount to approximately 2 trillion gallons of gasoline. We estimate that roughly one-fifth of the savings can be attributed to gasoline price increases over the period and four-fifths to fuel economy and greenhouse gas (ghg) standards.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2020

Modeling of fluid injection-induced fault reactivation using coupled fluid flow and mechanical interface model

The present study is aimed at developing a numerical model to reproduce coupled hydro-mechanical processes associated with fault reactivation by fluid injection in low permeability rock, as part of the DECOVALEX-2019 project Task B. We proposed a modeling approach for simulating the processes using the TOUGH-FLAC simulator, and modeled a fault reactivation experiment conducted at Mont Terri Rock Laboratory in Switzerland. The first step of the study involved benchmark calculations considering a simplified fault plane and geometry. Fluid flow along a fault was modeled using elements of aperture-sized thickness on the basis of Darcy's law and the cubic law in TOUGH2, whereas the mechanical behavior of a single fault was represented by zero-thickness interface elements in FLAC3D upon which a slip and/or separation is allowed. A methodology to connect a TOUGH2 volume element to a FLAC3D interface element was developed for handling the hydro-mechanical interactions on the fault during fluid injection. Two different fault models for describing the evolutions of hydraulic aperture by elastic fracture opening and failure-induced aperture increase were considered in the benchmark calculations. In the coupling process, the changes in geometrical features and hydrological properties induced by mechanical deformation were continuously updated. The transient responses of the fault and host rock to stepwise pressurization were examined during the simulation. The hydro-mechanical behavior, including the injection flow rate, pressure distribution around the borehole, stress conditions, and displacements in normal and shear directions were monitored in the surrounding rock and along the fault. The results of benchmark calculations suggest that the developed model reasonably represents the hydro-mechanical behavior of a fault and the surrounding rock. This modeling approach was applied to the fault reactivation experiment of the Mont Terri Rock Laboratory. In this interpretive modeling, a parametric study was conducted to examine the effects of input parameters regarding in situ stress and fault properties on the hydro-mechanical responses of the fault to water injection. Then, an optimal parameter set to reproduce the field experiment results was chosen by trial-and-error. The injection flow rate and pressure response during fault reactivation closely matched those obtained at the site, which indicates the capability of the model to appropriately capture the progressive pathway evolution during fault reactivation tests at the site. Finally, the anchor displacements were overestimated by the model, but a fair agreement was obtained in terms of the order of magnitude and the variation tendency.

58 GEOSCIENCES↗

DOE OSTI2026

4-Electron Oxygen Reduction Reaction (ORR) with Iron Phthalocyanine (FePc) Functionalized Nanowire Templated-3D Fuzzy Graphene (NT-3DFG)

Iron phthalocyanine (FePc) is a promising alternative to platinum-based catalysts for sustainable energy devices; however, the plane-symmetry of Fe-N 4 sites, random aggregation, and poor conductivity of FePc present major barriers for their application as oxygen reduction reaction (ORR) electrocatalysts. Here, we report the synergistic effects of FePc electrocatalysts supported by a nanowire-templated three-dimensional fuzzy graphene (FePc@NT-3DFG) substrate. The in situ functionalized oxygen groups (iFOGs) at the edge of NT-3DFG localize Fe active sites in FePc under alkaline ORR conditions. With a uniform FePc distribution through many single layers of graphene, the NT-3DFG substrates improve O 2 adsorption and catalytic activity while stabilizing the electrochemical activity during reactions. The FePc@NT-3DFG catalyst exhibits fast ORR kinetics with an extremely low Tafel slope of 28.3 ± 2.7 mV dec −1 , a higher half-wave potential of 0.911 ± 0.004 V (vs RHE), and notable long-term stability at 0.5 V (vs RHE) of 96.0 ± 0.4% retention after 30 h. Surface chemistry spectra validate electronic configuration modification of Fe at the iFOGs. Density functional theory calculations indicate that the extra layers of graphene improve oxygen adsorption. Moreover, additional exploration of other transition metal phthalocyanines supports the effects of iFOGs through the transition toward 4e − ORR. This work offers an expanded strategy for active site modification through edge-based graphene substrates for 4e − ORR.

X-ray absorption spectroscopy↗

DOE OSTI2024

Snow Distribution Patterns Revisited: A Physics-Based and Machine Learning Hybrid Approach to Snow Distribution Mapping in the Sub-Arctic

Snowpack distribution in Arctic and alpine landscapes often occurs in repeating, year-to-year patterns due to local topographic, weather, and vegetation characteristics. Previous studies have suggested that with years of observational data, these snow distribution patterns can be statistically integrated into a snow process modeling workflow. Recent advances in snow hydrology and machine learning (ML) have increased our ability to predict snowpack distribution using in-situ observations, remote sensing data sets, and simple landscape characteristics that can be easily obtained for most environments. Here, we propose a hybrid approach to couple a ML snow distribution pattern (MLSDP) map with a physics-based, snow process model. We trained a random forest ML algorithm on tens of thousands of snow survey observations from a subarctic study area on the Seward Peninsula, Alaska, collected during peak snow water equivalent (SWE). We validated hybrid model outputs using in-situ snow depth and SWE observations, as well as a light detection and ranging data set and a distributed temperature profiling sensor data set. When the hybrid results were compared with the physics-based method, the hybrid method more accurately depicted the spatial patterns of the snowpack, areas of drifting snow, and years when no in-situ observations were used in the random forest ML training data set. The hybrid method also showed improvements in root mean squared error at 61% of locations where time-series estimations of snow depth were observed. These results can be applied to any physics-based model to improve the snow distribution patterning to reflect observed conditions in high latitude and high elevation cold region environments.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Predicting stress response and improved protein overproduction in Bacillus subtilis

Abstract Bacillus subtilis is a well-characterized microorganism and a model for the study of Gram-positive bacteria. The bacterium can produce proteins at high densities and yields, which has made it valuable for industrial bioproduction. Like other cell factories, metabolic modeling of B. subtilis has discovered ways to optimize its metabolism toward various applications. The first genome-scale metabolic model (M-model) of B. subtilis was published more than a decade ago and has been applied extensively to understand metabolism, to predict growth phenotypes, and served as a template to reconstruct models for other Gram-positive bacteria. However, M-models are ill-suited to simulate the production and secretion of proteins as well as their proteomic response to stress. Thus, a new generation of metabolic models, known as metabolism and gene expression models (ME-models), has been initiated. Here, we describe the reconstruction and validation of a ME model of B. subtilis , i JT964-ME. This model achieved higher performance scores on the prediction of gene essentiality as compared to the M-model. We successfully validated the model by integrating physiological and omics data associated with gene expression responses to ethanol and salt stress. The model further identified the mechanism by which tryptophan synthesis is upregulated under ethanol stress. Further, we employed i JT964-ME to predict amylase production rates under two different growth conditions. We analyzed these flux distributions and identified key metabolic pathways that permitted the increase in amylase production. Models like i JT964-ME enable the study of proteomic response to stress and the illustrate the potential for optimizing protein production in bacteria.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

Structural constraint integration in a generative model for the discovery of quantum materials

Billions of organic molecules have been computationally generated, yet functional inorganic materials remain scarce due to limited data and structural complexity. Here, in this work, we introduce Structural Constraint Integration in a GENerative model (SCIGEN), a framework that enforces geometric constraints, such as honeycomb and kagome lattices, within diffusion-based generative models to discover stable quantum materials candidates. SCIGEN enables conditional sampling from the original distribution, preserving output validity while guiding structural motifs. This approach generates ten million inorganic compounds with Archimedean and Lieb lattices, over 10% of which pass multistage stability screening. High-throughput density functional theory calculations on 26,000 candidates shows over 95% convergence and 53% structural stability. A graph neural network classifier detects magnetic ordering in 41% of relaxed structures. Furthermore, we synthesize and characterize two predicted materials, TiPd 0.22 Bi 0.88 and Ti 0.5 Pd 1.5 Sb, which display paramagnetic and diamagnetic behaviour, respectively. Our results indicate that SCIGEN provides a scalable path for generating quantum materials guided by lattice geometry.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Observing differential spin currents by resonant inelastic X-ray scattering

Controlling spin currents, that is, the flow of spin angular momentum, in small magnetic devices, is the principal objective of spin electronics, a main contender for future energy-efficient information technologies. A pure spin current has never been measured directly because the associated electric stray fields and/or shifts in the non-equilibrium spin-dependent distribution functions are too small for conventional experimental detection methods optimized for charge transport. Here we report that resonant inelastic X-ray scattering (RIXS) can bridge this gap by measuring the spin current carried by magnons—the quanta of the spin wave excitations of the magnetic order—in the presence of temperature gradients across a magnetic insulator. This is possible due to the sensitivity of the momentum- and energy-resolved RIXS intensity to minute changes in the magnon distribution under non-equilibrium conditions. Furthermore, we use the Boltzmann equation in the relaxation time approximation to extract transport parameters, such as the magnon lifetime at finite momentum, essential for the realization of magnon spintronics.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Analytic and numerical vibronic spectra from quasi-classical trajectory ensembles

The truncated Wigner approximation to quantum dynamics in phase space is explored in the context of computing vibronic line shapes for monomer linear optical spectra. We consider multiple model potential forms including a shifted harmonic oscillator with both equal and unequal frequencies on the ground and excited state potentials as well as a shifted Morse potential model. For the equal-frequency shifted harmonic oscillator model, we derive an analytic expression for the exact vibronic line shape that emphasizes the importance of using a quantum mechanical distribution of phase space initial conditions. For the unequal-frequency shifted harmonic oscillator model, we are no longer able to obtain an exact expression for the vibronic line shape in terms of independent deterministic classical trajectories. We show how one can rigorously account for corrections to the truncated Wigner approximation through nonlinear responses of the line shape function to momentum fluctuations along a classical trajectory and demonstrate the qualitative improvement in the resulting spectrum when the leading-order quantum correction is included. Finally, we numerically simulate absorption spectra of a highly anharmonic shifted Morse potential model. We find that, while finite quantization and the dissociation limit are captured with reasonable accuracy, there is a qualitative breakdown of the quasi-classical trajectory ensemble’s ability to describe the vibronic line shape when the relative shift in Morse potentials becomes large. The work presented here provides clarity on the origin of unphysical negative features known to contaminate absorption spectra computed with quasi-classical trajectory ensembles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Helium metastable density determination in the COST reference source by absolutely calibrated optical emission spectroscopy

Helium metastable densities in the COST Reference Microplasma Jet are estimated for a variety of He/N2 admixtures and dissipated powers by applying a collisional-radiative model to absolutely calibrated optical emission spectroscopy measurements. This is accomplished by delineating the excitation mechanisms that result in the N2(C–B) and N2+(B–X) emission bands, the latter of which is strongly coupled to the presence of helium metastables. A number of other plasma parameters are established and discussed for each operating condition including the electron energy distribution function, reduced electric field, rate constants, and electron density. With these parameters, the reaction rates for the primary ionization pathways are also calculated, emphasizing the importance of helium metastables for discharge sustainment. Good agreement with the existing literature is found for most plasma parameters and for helium metastable densities, in particular. A clear [N2]−1 relationship between the nitrogen concentration and density of helium metastables is demonstrated, as has been identified in previous studies in analogous atmospheric pressure plasma jets. This validates the efficacy of this optical technique for determining helium metastable densities and establishes it as a viable, and in many cases, more accessible alternative to other means of quantifying helium metastables in low-temperature plasmas.

Physics↗