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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 595 records · Page 33

Computations of Emissions Using a 3-D Combustor Program

A general 3-D combustor performance program developed by Garrett was extended to predict soot and NOx emissions. The soot formation and oxidation rates were computed by quasi-global models, taking into account the influence of turbulence. Radiation heat transfer was computed by the six-flux radiation mode. The radiation properties include the influence of CO2 and H2O in addition to soot. NOx emissions were computed from a global four-step hydrocarbon oxidation scheme and a set of rate-controlled reactions involving radicals and nitrogen oxides.

Srivatsa, S. K.↗

User's guide: Programs for processing altimeter data over inland seas

The programs described were developed to process GEODYN-formatted satellite altimeter data, and to apply the processed results to predict geoid undulations and gravity anomalies of inland sea areas. These programs are written in standard FORTRAN 77 and are designed to run on the NSESCC IBM 3081(MVS) computer. Because of the experimental nature of these programs they are tailored to the geographical area analyzed. The attached program listings are customized for processing the altimeter data over the Black Sea. Users interested in the Caspian Sea data are expected to modify each program, although the required modifications are generally minor. Program control parameters are defined in the programs via PARAMETER statements and/or DATA statements. Other auxiliary parameters, such as labels, are hard-wired into the programs. Large data files are read in or written out through different input or output units. The program listings of these programs are accompanied by sample IBM job control language (JCL) images. Familiarity with IBM JCL and the TEMPLATE graphic package is assumed.

Au, A. Y.↗

Theory of the effect of external stress on the activated dynamics and transport of dilute penetrants in supercooled liquids and glasses

We generalize the self-consistent cooperative hopping theory for a dilute spherical penetrant or tracer activated dynamics in dense metastable hard sphere fluids and glasses to address the effect of external stress, the consequences of which are systematically established as a function of matrix packing fraction and penetrant-to-matrix size ratio. All relaxation processes speed up under stress, but the difference between the penetrant and matrix hopping (alpha relaxation) times decreases significantly with stress corresponding to less time scale decoupling. A dynamic crossover occurs at a critical “slaving onset” stress beyond which the matrix activated hopping relaxation time controls the penetrant hopping time. This characteristic stress increases (decreases) exponentially with packing fraction (size ratio) and can be well below the absolute yield stress of the matrix. Below the slaving onset, the penetrant hopping time is predicted to vary exponentially with stress, differing from the power law dependence of the pure matrix alpha time due to system-specificity of the stress-induced changes in the penetrant local cage and elastic barriers. An exponential growth of the penetrant alpha relaxation time with size ratio under stress is predicted, and at a fixed matrix packing fraction, the exponential relation between penetrant hopping time and stress for different size ratios can be collapsed onto a master curve. Direct connections between the short- and long-time activated penetrant dynamics and between the penetrant (or matrix) alpha relaxation time and matrix thermodynamic dimensionless compressibility are also predicted. The presented results should be testable in future experiments and simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Leveraging slow $\mathrm{DOTA}$ f-element complexation kinetics to enable separations by kinetic design

The design of metal-concerned solvent extraction systems frequently leverages thermodynamically derived differences in selectivity. An alternative approach, leveraging kinetic control, has been considered much less seriously. Our recent manuscript describing DOTA (1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid) complexation kinetics across the lanthanide series shows the observed rate constant steadily increases across the series, with some non-monotonic behavior observed at terbium and thulium. This contrasts the thermodynamic stability constant trend, where lanthanide-DOTA stability constants initially increase and then plateau as a function of ionic radii after samarium. To leverage the kinetic differences of DOTA with the lanthanides across the series, kinetically based separations must be utilized. Since DOTA has very slow complexation kinetics, a separations system must expedite DOTA-metal complexation to allow a separation approximating practical application. Here in this report, a DOTA-based solvent extraction system, where DOTA is the aqueous holdback reagent and bis-2,4,4-trimethylpentylphosphinic acid (Cyanex 272) is the organic phase extractant, is demonstrated and compares the separations chemistry of Nd, Eu and Am. The slowness of DOTA complexation was addressed by heating the system. Results showed, in general, separation between metals is better during early phase contact, and diminishes under longer contact times. Under all conditions, separations are better than would be predicted based on a thermodynamic basis. This report suggests that while slowly complexing ligands classically used for biological applications may not be appropriate for thermodynamically designed metal separations, their use for kinetically based systems may be appropriate and enable a new design basis for f-element separations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Designing complex concentrated alloys with quantum machine learning and language modeling

Designing novel complex concentrated alloys (CCAs) is an essential topic in materials science. However, due to the complicated high-dimensional component-property relationship, tuning material properties by researchers’ experience is challenging, even when guided by physical or empirical rules. Here, we adopt quantum computing (QC) technology and machine learning models to provide a proof-of-concept application of QC in physical metallurgy. We propose a quantum support vector machine (QSVM) model to predict single-phase CCAs. We show that fine-tuned quantum kernels with entanglement deliver promising performance, with a maximum accuracy of 89.4%. The QSVM model is then used to identify 1,741 lightweight CCAs jointly with a new text-mining-based method. Meanwhile, we devise a controllable approach to study the effect of noise on model performance and find that the noise level needs to be minimized for high-performance QSVM models. Finally, this study provides a practical and general approach to designing CCAs based on quantum technologies.

36 MATERIALS SCIENCE↗

Confronting the water potential information gap

Water potential directly controls the function of leaves, roots and microbes, and gradients in water potential drive water flows throughout the soil–plant–atmosphere continuum. Notwithstanding its clear relevance for many ecosystem processes, soil water potential is rarely measured in situ, and plant water potential observations are generally discrete, sparse, and not yet aggregated into accessible databases. These gaps limit our conceptual understanding of biophysical responses to moisture stress and inject large uncertainty into hydrologic and land-surface models. Here, we outline the conceptual and predictive gains that could be made with more continuous and discoverable observations of water potential in soils and plants. We discuss improvements to sensor technologies that facilitate in situ characterization of water potential, as well as strategies for building new networks that aggregate water potential data across sites. Here, we end by highlighting novel opportunities for linking more representative site-level observations of water potential to remotely sensed proxies. Together, these considerations offer a road map for clearer links between ecohydrological processes and the water potential gradients that have the ‘potential’ to substantially reduce conceptual and modelling uncertainties.

58 GEOSCIENCES↗

EMG responses to maintain stance during multidirectional surface translations

To characterize muscle synergy organization underlying multidirectional control of stance posture, electromyographic activity was recorded from 11 lower limb and trunk muscles of 7 healthy subjects while they were subjected to horizontal surface translations in 12 different, randomly presented directions. The latency and amplitude of muscle responses were quantified for each perturbation direction. Tuning curves for each muscle were examined to relate the amplitude of the muscle response to the direction of surface translation. The latencies of responses for the shank and thigh muscles were constant, regardless of perturbation direction. In contrast, the latencies for another thigh [tensor fascia latae (TFL)] and two trunk muscles [rectus abdominis (RAB) and erector spinae (ESP)] were either early or late, depending on the perturbation direction. These three muscles with direction-specific latencies may play different roles in postural control as prime movers or as stabilizers for different translation directions, depending on the timing of recruitment. Most muscle tuning curves were within one quadrant, having one direction of maximal activity, generally in response to diagonal surface translations. Two trunk muscles (RAB and ESP) and two lower limb muscles (semimembranosus and peroneus longus) had bipolar tuning curves, with two different directions of maximal activity, suggesting that these muscle can play different roles as part of different synergies, depending on translation direction. Muscle tuning curves tended to group into one of three regions in response to 12 different directions of perturbations. Two muscles [rectus femoris (RFM) and TFL] were maximally active in response to lateral surface translations. The remaining muscles clustered into one of two diagonal regions. The diagonal regions corresponded to the two primary directions of active horizontal force vector responses. Two muscles (RFM and adductor longus) were maximally active orthogonal to their predicted direction of maximal activity based on anatomic orientation. Some of the muscles in each of the synergic regions were not anatomic synergists, suggesting a complex central organization for recruitment of muscles. The results suggest that neither a simple reflex mechanism nor a fixed muscle synergy organization is adequate to explain the muscle activation patterns observed in this postural control task. Our results are consistent with a centrally mediated pattern of muscle latencies combined with peripheral influence on muscle magnitude. We suggest that a flexible continuum of muscle synergies that are modifiable in a task-dependent manner be used for equilibrium control in stance.

NASA Discipline Neuroscience↗

Persistent compositions of non-stoichiometric compounds with low bulk diffusivity: A theory and application to Nb3Sn superconductors

Non-stoichiometric compounds may develop a composition gradient when they are formed by reactive diffusional processes. This paper reports an interesting phenomenon that in compounds with low bulk diffusivities, which rely mainly on grain boundary diffusion for their growth, the final bulk compositions may be far from equilibrium, with a very low bulk diffusivity leading to fixed (persistent) compositions – one such example is Nb 3 Sn, a superconductor. We investigated the microchemistry at the reactive interface using atom probe tomography to clarify the diffusion reaction mechanism for this low-bulk-diffusivity case and thus propose a theory for what determines the compound composition, using Nb 3 Sn as an example for concreteness. Using certain approximations, we derive an explicit analytical equation that illustrates what factors determine its composition profile. We compare our model with the known facts of Nb 3 Sn and see good agreement. In particular, this model predicts that internal oxidation may lead to higher Sn contents than conventional, non-oxidized Nb 3 Sn. Our measurements show that this is indeed true, and that the internally-oxidized Nb 3 Sn also has higher upper critical fields, achieving up to 28.2 T at 4.2 K. We discuss the general applicability of this model to non-stoichiometric compounds with low bulk diffusivity, and propose it as a tool to help in the design and processing of such materials for compositional control.

36 MATERIALS SCIENCE↗

Orbital-spin locking and its optical signatures in altermagnets

Altermagnets, magnetic materials with zero magnetization and spin-split band structure, have gained tremendous attention recently for their rich physics and potential applications. Here, we report on a microscopic tight-binding model that unveils a unique coupling between orbitals and spins in d-wave altermagnets, which gives rise to momentum-dependent and spin-selective optical absorption. This coupling promotes the controlled optical excitation of up or down spins depending on the polarization direction of linearly polarized light. Such an effect originates from the coupling of orbitals to the sublattice degree of freedom through the crystal field, which is then coupled to spins through the antiferromagnetic interaction. Our crystal field analysis, which is general to any type of altermagnet, helps understand the onset of altermagnetism from a microscopic point of view, and we use our results to propose clear magneto-optical signatures of our predictions. Our findings shine light on the interplay between orbitals and spins in altermagnets, thus paving the way towards novel orbitronic and optospintronic devices.

Vila, Marc↗

Full Technical Report: High-Rate Carbide Growth by Evaporation

Boron carbide (B 4 C) is an attractive inertial confined fusion (ICF) ablator and a unique ultra-hard material with numerous current and potential applications. What makes B 4 C attractive as an ablator is its relatively high density and the ability to form a stable glassy phase combined with excellent chemical and mechanical stability. Despite these advantages, the fabrication of B 4 C ablators has remained a challenge. Magnetron sputtering, our current frontrunner approach for B 4 C deposition, exhibits low deposition rates (< 2 μm/h) and undesirable nodular defects within the film structure that are believed to generate from the dusty plasma around the sputtering source. The goals of this project were to (1) establish alternative plasma-free, electron beam evaporation (EBE) capabilities for the deposition of thin films that are needed in mission-critical programs and; (2) demonstrate the feasibility to deposit B 4 C films at high rates by EBE in a bottom-up geometry and characterize their stoichiometry. In this feasibility study, we initially developed the capability to convert a general-use vacuum chamber into an electron beam evaporator as needed, or on demand. Then, we successfully used this setup to deposit films made of boron carbide and various other materials. By adjusting the deposition parameters and the evaporation source material, we were able to demonstrate the feasibility of reaching deposition rates as high as 8 μm/h, which is about 4 times the maximum rates obtained through sputtering methods. We predict that these values can still be further improved by implementing enhanced thermal control measures for the target source and optimizing electron beam parameters (ie. current, sweeping and frequency) since ceramic materials with similar densities to B 4 C can exhibit deposition rates of about twice this value. We anticipate that the skills and capabilities developed throughout this project will prove relevant not only to the HED and ICF campaigns but also to numerous existing and prospective applications focused on the development of ultra-hard carbide coatings. The fresh set of tools here developed will also facilitate the preparation and research on future new target materials of interest beyond B 4 C.

36 MATERIALS SCIENCE↗

Quiet short-haul research aircraft familiarization document, revision 1

The design features and general characteristics of the Quiet Short Haul Research Aircraft are described. Aerodynamic characteristics and performance are discussed based on predictions and early flight test data. Principle airplane systems, including the airborne data acquisition system, are also described. The aircraft was designed and built to fulfill the need for a national research facility to explore the use of upper surface blowing, propulsive lift technology in providing short takeoff and landing capability, and perform advanced experiments in various technical disciplines such as aerodynamics, propulsion, stability and control, handling qualities, avionics and flight control systems, trailing vortex phenomena, acoustics, structure and loads, operating systems, human factors, and airworthiness/certification criteria. An unusually austere approach using experimental shop practices resulted in a low cost and high research capability.

Eppel, J. C.↗

Global scale diagnoses of FGGE data

Descriptive global scale diagnoses of the First Global Atmospheric Research Experiment SOP-1 analyses were made and compared against controlled, real data integrations of the Goddard Laboratory of Atmospheric Science (GLAS) general circulation model (GCM) as well as other data sets. The effects of critical latitudes were studied; the influence of tropical wind data and latent heating upon the GLAS GCM was diagnosed; planetary wave structure on various time scales from the diurnal to the monthly was studied; and the GLAS analyses were compared with other analyses. Short term controlled GLAS GCM integrations show that: (1) the inclusion of tropical wind data in real data integrations has an important influence in the mid-latitude prediction in both hemispheres; and (2) the tropical divergent wind reacts almost immediately to alteration of the tropical latent heating. The presence or absence of zonally averaged easterlies depends strongly upon the presence of tropical latent heating.

Paegle, J.↗

Analysis of the convective evaporation of nondilute clusters of drops

The penetration distance of an outer flow into a drop cluster volume is the critical, evaporation mode-controlling parameter in the present model for nondilute drop clusters' convective evaporation. The model is found to perform well for such low penetration distances as those obtained for dense clusters in hot environments and low relative velocities between the outer gases and the cluster. For large penetration distances, however, the predictive power of the model deteriorates; in addition, the evaporation time is found to be a weak function of the initial relative velocity and a strong function of the initial drop temperature. The results generally show that the interior drop temperature was transient throughout the drop lifetime, although temperature nonuniformities persisted up to the first third of the total evaporation time at most.

Bellan, J.↗

Evidence of chaotic pattern in solar flux through a reproducible sequence of period-doubling-type bifurcations

Presented here is a preliminary study of the limits to solar flux intensity prediction, and of whether the general lack of predictability in the solar flux arises from the nonlinear chaotic nature of the Sun's physical activity. Statistical analysis of a chaotic signal can extract only its most gross features, and detailed physical models fail, since even the simplest equations of motion for a nonlinear system can exhibit chaotic behavior. A recent theory by Feigenbaum suggests that nonlinear systems that can be led into chaotic behavior through a sequence of period-doubling bifurcations will exhibit a universal behavior. As the control parameter is increased, the bifurcation points occur in such a way that a proper ratio of these will approach the universal Feigenbaum number. Experimental evidence supporting the applicability of the Feigenbaum scenario to solar flux data is sparse. However, given the hypothesis that the Sun's convection zones are similar to a Rayleigh-Bernard mechanism, we can learn a great deal from the remarkable agreement observed between the prediction by theory (period doubling - a universal route to chaos) and the amplitude decrease of the signal's regular subharmonics. The authors show that period-doubling-type bifurcation is a possible route to a chaotic pattern of solar flux that is distinguishable from the logarithm of its power spectral density. This conclusion is the first positive step toward a reformulation of solar flux by a nonlinear chaotic approach. The ultimate goal of this research is to be able to predict an estimate of the upper and lower bounds for solar flux within its predictable zones. Naturally, it is an important task to identify the time horizons beyond which predictability becomes incompatible with computability.

Ashrafi, S.↗

Launch, Low-Speed, and Landing Characteristics Determined from the First Flight of the North American X-15 Research Airplane

The first flight of the North American X-15 research airplane was made on June 8, 1959. This was accomplished after completion of a series of captive flights with the X-15 attached to the B-52 carrier airplane to demonstrate the aerodynamic and systems compatibility of the X-15//B-52 combination and the X-15 subsystem operation. This flight was planned as a glide flight so that the pilot need not be concerned with the propulsion system. Discussions of the launch, low-speed maneuvering, and landing characteristics are presented, and the results are compared with predictions from preflight studies. The launch characteristics were generally satisfactory, and the X-15 vertical tail adequately cleared the B-52 wing cutout. The actual landing pattern and landing characteristics compared favorably with predictions, and the recommended landing technique of lowering the flaps and landing gear at a low altitude appears to be a satisfactory method of landing the X-15 airplane. There was a quantitative correlation between flight-measured and predicted lift-drag-ratio characteristics in the clean configuration and a qualitative correlation in the landing configuration. A longitudinal-controllability problem, which became severe in the landing configuration, was evident throughout the flight and, apparently, was aggravated by the sensitivity of the side-located control stick. In the low-to-moderate angle-of-attack range covered, the longitudinal and directional stability were indicated to be adequate.

Finch, Thomas W.↗

Transport Aircraft System Identification Using Roll and Yaw Oscillatory Wind Tunnel Data

Continued studies have been undertaken to investigate and develop aerodynamic models that predict aircraft response in nonlinear unsteady flight regimes for transport configurations. The models retain conventional static and dynamic terms but replace conventional acceleration terms with indicial functions. In the Subsonic Fixed Wing Project of the NASA Fundamental Aeronautics Program and the Integrated Resilient Aircraft Controls project of the NASA Aviation Safety Program one aspect of the research is to apply these current developments to transport configurations to facilitate development of advanced simulation and control design technology. This paper continues development and application of a more general modeling methodology to the NASA Langley Generic Transport Model, a sub-scale flight test vehicle. In the present study models for the lateral-directional aerodynamics are developed.

Murphy, Patrick C.↗

Effect of net direct current on the properties of radio frequency sheaths: simulation and cross-code comparison

In order to understand, predict and control ion cyclotron range of frequency (ICRF) interactions with tokamak scrape-off layer plasmas, computational tools which can model radio frequency (RF) sheaths are needed. In particular, models for the effective surface impedance and DC rectified sheath potentials may be coupled with full wave RF simulation codes to predict self-consistent wave fields near surfaces and the resulting power dissipation and plasma-material interactions from ion sputtering. In this study, previous work assuming zero net DC current flow through the sheath is generalized to allow the surface to collect net positive or negative current, as is often observed in experiments. The waveforms, DC potential and RF admittance are investigated by means of analytical theory, nonlinear fluid and particle-in-cell (PIC) codes. Cross-code comparisons provide detailed model verification and elucidate the roles of ion and electron kinetics. When the sheath draws negative (positive) DC current, the voltage rectification is reduced (increased) compared with the zero-current case, and the magnitude of both the real and imaginary parts of the admittance are increased (reduced). In conclusion, a previous four-input parametrization of the sheath rectification and admittance properties is generalized to include a fifth parameter describing the DC sheath current.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Machine learning substitutional defect formation energies in ABO 3 perovskites

Perovskite oxides are a promising material platform for use in a wide range of technological applications including electronics, sensors, fuel cells, and catalysis. This is owing to the extraordinary tunability of their physical and chemical properties via defect engineering. The feasibility and the stability of a defect, such as a substitutional dopant, in the host lattice is usually obtained via experiments and/or through detailed quantum mechanical calculations. Both of these conventional routes are expensive and time consuming. An alternative is a data-driven machine learning (ML)-based approach. In this work, we have applied ML techniques to identify the factors that influence defect formation energy, which is an important measure of the stability of the defects, in perovskite oxides. Using 13 elemental properties as features and random forest regression, we demonstrate a systematic approach to down-selecting from the larger set of features to those that are important, establishing a framework for accurate predictions of the defect formation energy. We quantitatively show that the most important factors that control the dopant stability are the dopant ionic size, heat of formation, effective tolerance factor, and oxidation state. Our work reveals previously unknown correlations, chemical trends, and the interplay between stability and underlying chemistries. Hence, these results showcase the efficacy of ML tools in identifying and quantifying different feature-dependencies and provide a promising route toward dopant selection in the perovskites. Herein, we have developed a framework that itself is general and can be potentially applied to other material classes.

36 MATERIALS SCIENCE↗