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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 1,729 records · Page 96
All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

Chemical Composition and Flow Velocity as a Function of Operating Conditions for an Arc Jet Heater

We have used laser-induced fluorescence (LIF) to carry out a detailed, systematic survey of the properties of the free stream of the 20 Megawatt Aerodynamic Heating Facility at NASA/Ames Research Center. In both air and nitrogen flows we have measured the atomic nitrogen absolute number density and flow velocity at each operating condition. In air flows we have also measured the atomic oxygen absolute number density and rotational/translational temperature at each operating condition. These results have been used to provide, for the first time, a direct, nonintrusive measurement of the enthalpy on the centerline of the flow. In addition, the observed arc jet properties can be used to test and improve computer simulations of the arc jet flow which include detailed chemical rate processes (especially nitrogen atom recombination) taking place during the supersonic expansion.

Bamford, Douglas J.↗
DOE OSTI2018

Characteristics of the Hot Workability of an AZ91D Magnesium Alloy Using 3D Processing Maps

Hot compression tests were carried out on an a homogenized as-cast AZ91D magnesium alloy at temperatures ranging from 220 °C to 380 °C and strain rates ranging from 0.001 to 10 s{sup −1} by means of a Gleeble-3500 thermo mechanical simulator. True stress-–true strain curves were given. A constitutive modeling of the homogenized alloy was proposed to describe the flow characteristic. The deformation activation energy was estimated to be 142.27 kJ mol{sup −1}. Continuous three-dimensional (3D) processing maps were developed based on the true stress–true strain data as a function of strain, temperature, and strain rate. A detailed interpretation of the established 3D processing maps was conducted. The results showed that the variation of the 3D processing maps was significantly strain dependent. Dynamic recrystallization domains with high-power dissipation efficiencies and instability domains with negative instability coefficient were identified from the 3D power dissipation maps and the 3D instability maps, respectively. It was also revealed that the instability domains distinctly became enlarged with the increasing strain. Optimized temperature and strain rate ranges at various strains were determined. Furthermore, hot workability characteristics were clarified through examining the microstructures obtained under conditions falling within stability and instability domains with various strains. The results proved that the developed 3D processing maps can provide an accurate prediction of the hot deformation behavior for the homogenized AZ91D alloy.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Leveraging chiral induced spin selectivity to improve the efficiency and selectivity of electrocatalytic reduction

Energy production is a fundamental pillar of modern society, but it remains heavily reliant on fossil fuel combustion, which leads to environmental degradation and resource depletion. Electrocatalytic reduction reactions (ERRs) offer a cleaner alternative by functioning under mild conditions, eliminating the need for high temperatures or pressures. However, their widespread adoption is hindered by challenges such as low efficiency, inadequate selectivity, and sluggish kinetics. Here, the introduction of chiral-induced spin selectivity (CISS) offers a promising strategy to address these limitations by reducing energy barriers in reactions involving spin-sensitive intermediates or transition states. By leveraging CISS, ERR pathways can be manipulated to favor desired reactions, enhance product yield, and suppress unwanted byproducts, improving selectivity. Beyond reducing the impact of competing side reactions, CISS also enhances the kinetics of ERRs by accelerating reaction rates and lowering the energy barriers associated with multi-electron transfer steps. Thanks to its straightforward and versatile application, CISS shows significant potential in optimizing well-studied ERRs, such as the hydrogen evolution reaction (HER) and carbon dioxide reduction reaction (CO2RR), facilitating the future transition of these technologies from research laboratories to commercial energy plants worldwide.

14 SOLAR ENERGY↗
DOE OSTI2014

Transport of active ellipsoidal particles in ratchet potentials

Rectified transport of active ellipsoidal particles is numerically investigated in a two-dimensional asymmetric potential. The out-of-equilibrium condition for the active particle is an intrinsic property, which can break thermodynamical equilibrium and induce the directed transport. It is found that the perfect sphere particle can facilitate the rectification, while the needlelike particle destroys the directed transport. There exist optimized values of the parameters (the self-propelled velocity, the torque acting on the body) at which the average velocity takes its maximal value. For the ellipsoidal particle with not large asymmetric parameter, the average velocity decreases with increasing the rotational diffusion rate, while for the needlelike particle (very large asymmetric parameter), the average velocity is a peaked function of the rotational diffusion rate. By introducing a finite load, particles with different shapes (or different self-propelled velocities) will move to the opposite directions, which is able to separate particles of different shapes (or different self-propelled velocities)

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Shear-induced aggregation or disaggregation in edible oils: Models, computer simulation, and USAXS measurements

The effects of shear upon the aggregation of solid objects formed from solid triacylglycerols (TAGs) immersed in liquid TAG oils were modeled using Dissipative Particle Dynamics (DPD) and the predictions compared to experimental data using Ultra-Small Angle X-ray Scattering (USAXS). The solid components were represented by spheres interacting via attractive van der Waals forces and short range repulsive forces. A velocity was applied to the liquid particles nearest to the boundary, and Lees-Edwards boundary conditions were used to transmit this motion to non-boundary layers via dissipative interactions. The shear was created through the dissipative forces acting between liquid particles. Translational diffusion was simulated, and the Stokes-Einstein equation was used to relate DPD length and time scales to SI units for comparison with USAXS results. The SI values depended on how large the spherical particles were (250 nm vs. 25 nm). Aggregation was studied by (a) computing the Structure Function and (b) quantifying the number of pairs of solid spheres formed. Solid aggregation was found to be enhanced by low shear rates. As the shear rate was increased, a transition shear region was manifested in which aggregation was inhibited and shear banding was observed. Aggregation was inhibited, and eventually eliminated, by further increases in the shear rate. The magnitude of the transition region shear, $\dot{γ}_t$, depended on the size of the solid particles, which was confirmed experimentally.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Neural Network-Based Electric Vehicle Range Prediction for Smart Charging Optimization

Range prediction is a standard feature in most modern road vehicles, allowing drivers to make informed decisions about when to refuel. Most vehicles make range predictions through data- or model-driven means, monitoring the average fuel consumption rate or using a tuned vehicle model to predict fuel consumption. The uncertainty of future driving conditions makes the range prediction problem challenging, particularly for less pervasive battery electric vehicles (BEV). Most contemporary machine learning-based methods attempt to forecast the battery SOC discharge profile to predict vehicle range. In this work, we propose a novel approach using two recurrent neural networks (RNNs) to predict the remaining range of BEVs and the minimum charge required to safely complete a trip. Each RNN has two outputs that can be used for statistical analysis to account for uncertainties; the first loss function leads to mean and variance estimation (MVE), while the second results in bounded interval estimation (BIE). These outputs of the proposed RNNs are then used to predict the probability of a vehicle completing a given trip without charging, or if charging is needed, the remaining range and minimum charging required to finish the trip with high probability. Training data was generated using a low-order physics model to estimate vehicle energy consumption from historical drive cycle data collected from medium-duty last-mile delivery vehicles. Here, the proposed method demonstrated high accuracy in the presence of day-to-day route variability, with the root-mean-square error (RMSE) below 6% for both RNN models.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2017

CO Depletion: A Microscopic Perspective

In regions where stars form, variations in density and temperature can cause gas to freeze out onto dust grains forming ice mantles, which influences the chemical composition of a cloud. The aim of this paper is to understand in detail the depletion (and desorption) of CO on (from) interstellar dust grains. Experimental simulations were performed under two different (astrophysically relevant) conditions. In parallel, Kinetic Monte Carlo simulations were used to mimic the experimental conditions. In our experiments, CO molecules accrete onto water ice at temperatures below 27 K, with a deposition rate that does not depend on the substrate temperature. During the warm-up phase, the desorption processes do exhibit subtle differences, indicating the presence of weakly bound CO molecules, therefore highlighting a low diffusion efficiency. IR measurements following the ice thickness during the TPD confirm that diffusion occurs at temperatures close to the desorption. Applied to astrophysical conditions, in a pre-stellar core, the binding energies of CO molecules, ranging between 300 and 850 K, depend on the conditions at which CO has been deposited. Because of this wide range of binding energies, the depletion of CO as a function of A{sub V} is much less important than initially thought. The weakly bound molecules, easily released into the gas phase through evaporation, change the balance between accretion and desorption, which result in a larger abundance of CO at high extinctions. In addition, weakly bound CO molecules are also more mobile, and this could increase the reactivity within interstellar ices.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1982

Effects of the mode of storage on the capacity fading of the sintered nickel electrodes

A systematic investigation of the effect of temperature and two conditions of storage, shortened and open circuit, on the capacity fading of sintered nickel electrodes in NiCd batteries was conducted. All testing was done on sintered electrodes in flooded cells. Cycling tests to measure the capacity were performed at room temperature. The capacity out to one volt, a capacity useful for satellite applications. Test results indicated that: the shortened electrode showed a higher rate of loss than the open circuit electrodes; there was an increase in both modes with an increase in temperature; there was a loss of capacity with time of storage; a general degradation was observed as a function of time; shortened electrodes showed a higher end of charge than the open circuit ones; and at room temperature there was a lower loss in the open circuit electrode than in the shortened one.

Vyes, B.↗
DOE OSTI2021

Dynamic recrystallization of a wrought magnesium alloy: Grain size and texture maps and their application for mechanical behavior predictions

Effect of dynamic recrystallization (DRX) on the grain refinement and texture modification was studied by conducting a series of hot compression on AZ31B Mg alloy. Processing-grain size-texture maps were established as a function of temperature, strain rate, strain, and the Zener-Hollomon parameter (Z). Moreover, influence of simultaneous changes in the grain size and texture on tensile yield strength and ductility of the hot-worked Mg alloy was studied using the grain size and texture maps established. The processing-grain size map showed that the DRX grain size decreased with the increase in Z, also revealing various characteristics ranging from a grain growth, grain refinement, to a bimodal distribution of ultrafine grains and partially recrystallized grains. The effect of twinning on the grain refinement was also evident at high Z conditions. The processing-texture map revealed that the initial fiber texture was altered significantly to a shear, off-normal, or extension-twin texture with the increase in Z. The Schmid-factor maps were calculated to identify a dominant deformation mode during a subsequent tensile deformation of the hot-worked samples. Finally, a corresponding Hall-Petch relationship for each dominant deformation mode was used to establish tensile yield-strength maps, which agree well with the measured data.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Bioinspired Catalyst Design Principles: Progress in Emulating Properties of Enzymes in Synthetic Catalysts

Catalysis enables many aspects of modern life, including fuels, products, plastics, and medicines. Recent advances in catalysis have enabled us to realize higher efficiencies and new processes. Ideally, we seek to achieve high rates of selective conversions using catalysts derived from abundantly available elements and operating under mild conditions, specifically lower reaction temperatures and pressures. Such catalysts could enable decentralized, on-demand synthesis of chemicals and energy carriers. Nature has demonstrated the feasibility of this approach with enzymes, which showcase catalytic processes at low temperatures and pressures with nonprecious metals. Current thinking holds that in addition to the active site, the complexity of the enzyme structure, specifically the protein scaffold, is also critical to achieving this performance. Recreating this environment has been a long-standing scientific goal. However, we still understand the functions of enzymes better than we understand the de novo design of catalysts that mimic enzymes features, while also retaining their activity and selectivity under more demanding conditions. Here, in this Perspective, we will critically examine four key areas of catalyst design that incorporate the chemical and structural properties of enzymes into synthetic catalysts: (i) the use of confinement to enhance catalytic activity, (ii) tailoring the environment around the active site, (iii) proton transport, and (iv) bifunctionality and cooperativity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Self-consistent drift-diffusion-reaction model for the electron beam interaction with dielectric samples

The charging of insulating samples degrades the quality and complicates the interpretation of images in scanning electron microscopy and is important in other applications, such as particle detectors. In this paper, we analyze this nontrivial phenomenon on different time scales employing the drift-diffusion-reaction approach augmented with the trapping rate equations and a realistic semi-empirical source function describing the pulsed nature of the electron beam. We consider both the fast processes following the impact of a single primary electron, the slower dynamics resulting from the continuous bombardment of a sample, and the eventual approach to the steady-state regime.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Direct measurements of DOCO isomers in the kinetics of OD + CO

Quantitative and mechanistically detailed kinetics of the reaction of hydroxyl radical (OH) with carbon monoxide (CO) have been a longstanding goal of contemporary chemical kinetics. This fundamental prototype reaction plays an important role in atmospheric and combustion chemistry, motivating studies for accurate determination of the reaction rate coefficient and its pressure and temperature dependence at thermal reaction conditions. This intricate dependence can be traced directly to details of the underlying dynamics (formation, isomerization, and dissociation) involving the reactive intermediates cis- and trans-HOCO, which can only be observed transiently. Using time-resolved frequency comb spectroscopy, comprehensive mechanistic elucidation of the kinetics of the isotopic analog deuteroxyl radical (OD) with CO has been realized. By monitoring the concentrations of reactants, intermediates, and products in real time, the branching and isomerization kinetics and absolute yields of all species in the OD + CO reaction are quantified as a function of pressure and collision partner.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Dissecting components of the Campylobacter jejuni fetMP-fetABCDEF gene cluster under iron limitation

Campylobacter jejuni is a leading cause of bacterial gastroenteritis worldwide. Acute infection can be an antecedent to highly debilitating long-term sequelae. The expression of iron acquisition systems is vital for C. jejuni to survive the low iron availability within the human gut. The C. jejuni fetMP-fetABCDEF gene cluster is known to be upregulated during human infection and under iron limitation. While FetM and FetP have been functionally linked to iron transport in prior work, here we assess the contribution of each of the downstream genes (fetABCDEF) to C. jejuni growth during both iron-depleted and iron-replete conditions. Significant growth impairment was observed upon disruption of fetA, fetB, fetC, and fetD, suggesting a role in FetMP-mediated iron acquisition for each encoded protein. FetA expression was not dependent on the presence of FetB, FetC, FetD, FetE, or FetF. The functions of the putative thioredoxins FetE and FetF were redundant under iron-limited growth, requiring a double deletion (ΔfetEF) to exhibit a growth defect. C. jejuni FetE was expressed, and the structure was solved to 1.50 Å, revealing structural similarity to thiol-disulfide oxidases. Functional characterization in biochemical assays showed that FetE reduced insulin at a slower rate than Escherichia coli Trx and that together, FetEF promoted substrate oxidation in cell extracts, suggesting that FetE (and presumably FetF) are oxidoreductases that can mediate oxidation in vivo. This study advances our understanding of the contributions of the fetMP-fetABCDEF gene cluster to virulence at a genetic and functional level, providing foundational knowledge toward mitigating C. jejuni-related morbidity and mortality.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

A Compilation of Tensile Data for Quenched and Aged Uranium-Niobium Alloys

A compilation of tensile test data in uranium-niobium (U-Nb)binary alloys containing up to 10wt.% Nb is presented, capturing over900heat-treat conditions. It is based on a comprehensive survey of the literature and includes recent Los Alamos data, especially from long-term aging. The data are restricted to ambient-temperature, quasi-static strain-rate measurements. The emphasis is on controlled gamma-solutionize+quench and isothermal aging data from temperatures as high as 625oC and times as long as 10 years. Elastic, plastic (strength), and ductility properties reported include first-yield modulus, first-yield strength, second-yield strength, ultimate tensile strength,uniform elongation, total elongation, and reduction in area. Total elongation data were also converted to a common standard for ease in comparing data from different tensile specimen geometries. Material pedigree and machining damage condition are included among the metadata recorded here. With a view towards modeling these properties as a function of age(to be reported in future publications), the data were categorized according to the microstructure present (i.e., before or after the appearance of lamellar decomposition products) and the phenomenological time-trend of aging (initial softening, classic hardening, classic overaging-softening).

36 MATERIALS SCIENCE↗
DOE OSTI2022

Synechocystis sp. PCC 6803 Requires the Bidirectional Hydrogenase to Metabolize Glucose and Arginine Under Oxic Conditions

The cyanobacterium Synechocystis sp.PCC 6803 possesses a bidirectional NiFe-hydrogenase, HoxEFUYH. It functions to produce hydrogen under dark, fermentative conditions and photoproduces hydrogen when dark-adapted cells are illuminated. Unexpectedly, we found that the deletion of the large subunit of the hydrogenase (HoxH) in Synechocystis leads to an inability to grow on arginine and glucose under continuous light in the presence of oxygen. This is surprising, as the hydrogenase is an oxygen-sensitive enzyme. In wild-type (WT) cells, thylakoid membranes largely disappeared, cyanophycin accumulated, and the plastoquinone (PQ) pool was highly reduced, whereas ΔhoxH cells entered a dormant-like state and neither consumed glucose nor arginine at comparable rates to the WT. Hydrogen production was not traceable in the WT under these conditions. We tested and could show that the hydrogenase does not work as an oxidase on arginine and glucose but has an impact on the redox states of photosynthetic complexes in the presence of oxygen. It acts as an electron valve as an immediate response to the supply of arginine and glucose but supports the input of electrons from arginine and glucose oxidation into the photosynthetic electron chain in the long run, possibly via the NDH-1 complex. Despite the data presented in this study, the latter scenario requires further proof. The exact role of the hydrogenase in the presence of arginine and glucose remains unresolved. In addition, a unique feature of the hydrogenase is its ability to shift electrons between NAD(H), NADP(H), ferredoxin, and flavodoxin, which was recently shown in vitro and might be required for fine-tuning. Taken together, our data show that Synechocystis> depends on the hydrogenase to metabolize organic carbon and nitrogen in the presence of oxygen, which might be an explanation for its prevalence in aerobic cyanobacteria.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1985

Structural Tailoring of SSME Blades (vanes)

The engine blade design optimization program STAEBL (Structural Tailoring of Engine Blades) is available at the NASA Lewis computer facility. The analysis capabilities of this program were extended to typical loading conditions for SSME turbopump blades including thermal and pressure loading. Input files for representative SSME blade designs were developed and sample optimization studies for these blades completed. The structural tailoring program combines a general optimization package and a finite element blade analysis package. The analysis package's capabilities include natural frequency, maximum stress, and forced response computation, and fatigue life and flutter analysis. Optimization is performed using the feasible directions method. The current design is modified by perturbing the design variables so that the design constraints are satisfied while the objective function, such as blade weight, is reduced at the maximum rate. The program's geometric design variables include blade thickness distribution, thickness to chord ratios, and root chord.

Rubinstein, R.↗
NASA NTRS1986

Simulation of double layers in a model auroral circuit with nonlinear impedance

A reduced circuit description of the U-shaped potential structure of a discrete auroral arc, consisting of the flank transmission line plus parallel-electric-field region, is used to provide the boundary condition for one-dimensional simulations of the double-layer evolution. The model yields asymptotic scalings of the double-layer potential, as a function of an anomalous transport coefficient alpha and of the perpendicular length scale l(a) of the arc. The arc potential phi(DL) scales approximately linearly with alpha, and for alpha fixed phi (DL) about l(a) to the z power. Using parameters appropriate to the auroral zone acceleration region, potentials of phi (DPL) 10 kV scale to projected ionospheric dimensions of about 1 km, with power flows of the order of magnitude of substorm dissipation rates.

Smith, R. A.↗