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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 271 records · Page 15

Removal of Oxygen from Electronic Materials by Vapor-Phase Processes

Thermochemical analyses of equilibrium partial pressures over oxides with and without the presence of the respective element condensed phase, and hydrogen, chalcogens, hydrogen chalcogenides, and graphite are presented. Theoretical calculations are supplemented with experimental results on the rate of decomposition and/or sublimation/vaporization of the oxides under dynamic vacuum, and on the rate of reaction with hydrogen, graphite, and chalcogens. Procedures of removal of a number of oxides under different conditions are discussed.

Palosz, Witold↗

Effect of Lithium Doping on MgO Hydroxylation and Carbonation

Recovery of magnesium from brines can potentially be used to source MgO (periclase) as a CO 2 sorbent or for Mg-based cements. However, it is not clear how common impurities in brines, such as lithium, affect the resulting MgO reactivity. Here, to test the effect of lithium incorporation on MgO reactivity for hydration and carbonation, we combined computational simulations with experiments. Experimentally altered (Mg,Li)O with a low dopant concentration (0.012 ± 0.002% w/w Li) was characterized using synchrotron-based X-ray scattering and high-resolution electron microscopy to measure reaction layer formation on (Mg,Li)O. Single-crystal X-ray diffraction analysis of (Mg,Li)O demonstrates that the incorporation of lithium leads to the formation of oxygen vacancies. The presence of vacancies is likely causing faster hydroxylation rates as predicted by ab initio molecular dynamics simulations. However, the faster hydroxylation rates likely lead to faster passivation of the surface because we observe thinner reaction layers on (Mg,Li)O samples both over short time periods (30 days) and over long time periods (28 years). After 28 years, the reaction layer on the (Mg,Li)O sample was less than one-third of the thickness of that of the pure MgO sample. In addition, over 30 days, reaction layers on (Mg,Li)O samples primarily formed at steps rather than on terraces, in contrast to our previous observations on MgO. Based on our results, naturally occurring impurities in MgO modify its reactivity even at very low concentrations and need to be considered for accurate reaction rate prediction for application of MgO as a CO 2 sorbent or in cements.

MgO↗

Determination of Heritage SSME Pogo Suppressor Resistance and Inertance from Waterflow Pulse Testing

Waterflow tests of a heritage Space Shuttle Main Engine pogo suppressor were performed to experimentally quantify the resistance and inertance provided by the suppressor. Measurements of dynamic pressure and flow rate in response to pulsing flow were made throughout the test loop. A unique system identification methodology combined all sensor measurements with a one-dimensional perturbational flow model of the complete water flow loop to spatially translate physical measurements to the device under test. Multiple techniques were then employed to extract the effective resistance and inertance for the pogo suppressor. Parameters such as steady flow rate, perturbational flow rate magnitude, and pulse frequency were investigated to assess their influence on the behavior of the pogo suppressor dynamic response. These results support validation of the RS-25 pogo suppressor performance for use on the Space Launch System Core Stage.

McDougal, Chris↗

Vestibular afferent responses to linear accelerations in the alert squirrel monkey

The spontaneous activity of 40 otolith afferents and 44 canal afferents was recorded in 4 alert, intact squirrel monkeys. Polarization vectors and response properties of otolith afferents were determined during static re-orientations relative to gravity and during Earth-horizontal, sinusoidal, linear oscillations. Canal afferents were tested for sensitivity to linear accelerations. For regular otolith afferents, a significant correlation between upright discharge rate and sensitivity to dynamic acceleration in the horizontal plane was observed. This correlation was not present in irregular units. The sensitivity of otolith afferents to both static tilts and dynamic linear acceleration was much greater in irregularly discharging units than in regularly discharging units. The spontaneous activity and static and dynamic response properties of regularly discharging otolith afferents were similar to those reported in barbiturate-anesthetized squirrel monkeys. Irregular afferents also had similar dynamic response properties when compared to anesthetized monkeys. However, this sample of irregular afferents in alert animals had higher resting discharge rates and greater sensitivity to static tilts. The majority of otolith polarization vectors were oriented near the horizontal in the plane of the utricular maculae; however, directions of maximum sensitivity were different during dynamic and static testing. Canal afferents were not sensitive to static tilts or linear oscillations of the head.

Somps, Christopher J.↗

Dynamic Multipoles in the RCS

The Rapid Cycling Synchrotron (RCS) of the Electron--Ion Collider (EIC) will accelerate polarized electrons up to 18 GeV at a repetition rate of 1 Hz. Dynamic multipoles driven by eddy currents in the vacuum chamber can affect beam dynamics and polarization preservation during the energy ramp. Building on the analytical treatment of S.Y. Lee for a ramped normal-conducting dipole magnet, we use conformal transformations to derive compact expressions for dynamic multipoles in higher-order ramped magnets with circular beam pipes. We further derive analytical frequency-domain transfer functions for both self-response and cross-response multipoles, providing compact dynamical models for their evolution during arbitrary ramp waveforms. The resulting analytical predictions are benchmarked against finite-element simulations, including the effects of practical pole geometry and beam-pipe misalignment. Finally, the expected dynamic multipoles in the RCS magnets are estimated and their implications for beam dynamics and polarization preservation are discussed.

43 PARTICLE ACCELERATORS↗

MRI Measurements and Granular Dynamics Simulation of Segregation of Granular Mixture

A counter intuitive axial segregation phenomenon in a rotating horizontal cylinder has recently captured attention of many researchers in different disciplines. There is a growing consensus that the interplay between the particle dynamics and the evolution of the internal structure during the segregation process must be carefully investigated. Magnetic resonance imaging (MRI) has been used to non-invasively obtain much needed dynamic/static information such as velocity and concentration profiles, and it has proven to be capable of depicting the evolution of segregation processes. Segregation in a rotating cylinder involves two processes: the first is to transport small particles in the radial direction to form a radial core, and the second is to transform the radial core into axially segregated bands. Percolation and/or "stopping" have been proposed as mechanisms for the radial segregation. As to mechanisms for axial band formation, much less is known. The difference in the dynamic angle of repose has been proposed to segregate different components in the axial direction. Recently, Hill and Kakalios have reported that particles mix or demix depending upon the competition between diffusion and preferential drift whose order can be determined by the dynamic angle of repose through the adjustment of the rotation rate. We claim that the dynamic angle of repose could be one of the causes, however, it fails to offer reasonable explanations for certain aspects of the axial migration. For example, we always observe that the radial segregation precedes the axial segregation and small particles migrate in the radial direction to form an axially extended radial core. It then transforms into axially segregated bands. By definition, the effects of the dynamic angle of repose are restricted near the free surface where the flowing layer is present. However, during the process of transforming from the radially segregated core to axially segregated bands, small particles located in the deep core region, which is untouched by the flowing layer, also completely disappear. Usually, the dynamics angle of repose are uniquely defined for individual species to characterize particle properties, and the dynamic angle of repose thus defined provides little information for the dynamic angle of repose of the mixture since the concentration ratio and the internal packing structure do not remain the same during the segregation processes. Under microgravity environment, the dynamics angle of repose argument does not hold since there is simply no flowing layer to influence/determine the preferred directions of segregation. We have thus designed an experiment so that the effects of the dynamic angle of repose can be minimized by filling the cylinder almost completely full. Small particles still formed a radial core and also migrated to form axial bands. As ground based experiments we have designed and conducted both 2D and 3D segregation experiments. The 2D experiments are performed using a thin cylinder (the gap between two end caps is about 5 mm) filled with different combinations of particles. The 3D experiments are conducted with a long cylinder of its length and diameter of 27cm and 7cm, respectively. Results of 2D experiments indicate that different mechanisms govern particle motion in regions near and far from the axis of rotation. Results of 3D experiments indicate that a series of collapses of microstructures of particle packing (micro-collapses) may be responsible for the creation of voids for small particles to migrate through in the axial direction. We have successfully eliminated the dynamic angle of repose as a cause for segregation, however, by almost completely filling the cylinder with the particles, we have lost an opportunity to investigate a possibility of particle "mobility" being a cause for segregation which requires a flowing surface but not the difference in the angle of repose. This is currently being investigated.

Nakagawa, M.↗

Analytical Method of Approximating the Motion of a Spinning Vehicle with Variable Mass and Inertia Properties Acted Upon by Several Disturbing Parameters

An analytical method has been developed which approximates the dispersion of a spinning symmetrical body in a vacuum, with time-varying mass and inertia characteristics, under the action of several external disturbances-initial pitching rate, thrust misalignment, and dynamic unbalance. The ratio of the roll inertia to the pitch or yaw inertia is assumed constant. Spin was found to be very effective in reducing the dispersion due to an initial pitch rate or thrust misalignment, but was completely Ineffective in reducing the dispersion of a dynamically unbalanced body.

Buglia, James J.↗

Characterization of Reactant Refill and Detonation Wave Dynamics in a GOx/Natural-gas RDRE Using Simultaneous High Repetition-Rate OH-PLIF and Chemiluminescence

The potential application of rotating detonation engines (RDEs) in rocket combustors hinges on a fundamental understanding of detonation wave structure and injector characteristics with fuel and oxidizer compositions relevant in rocket systems. Simultaneous 300 kHz-rate broadband OH* chemiluminescence and OH-PLIF imaging is employed in a fully optically accessible Natural Gas-GOx rotating detonation rocket engine (RDRE) to visualize reactant refill dynamics and detonation wave structure. A custom-built KTP-type optical parametric oscillator (OPO) is coupled with a nanosecond high-repetition-rate burst-mode laser to output284 nm light and target excitation of the Q1(9) transition in the OH radical. Significant deflagrative burning is observed throughout the chamber as a consequence of the oxygen-rich environment. Trailing Azimuthal Reflected Shock Combustion (ARSC) system, similar to those in a H2-air RDE are observed, burning unburned reactants in the region immediately following the primary detonation wave. Contact burning, as indicated in this study, does not seem to be a primary loss mechanism. The simultaneous measurement of OH and OH* show that axial locations exist in the refill process where OH radicals are present, and produced due to shear layer induced deflagration, however, these zones do not produce excited state OH*. While a deeper understanding of the underlying physics in RDRE systems requires further investigation, this work highlights a first-of-its-kind visualization of the turbulent combustion product field and reactant refill characteristics in this highly unsteady environment.

Propulsion↗

Flight Dynamics Aspects of a Large Civil Tiltrotor Simulation Using Translational Rate Command

An in-depth analysis of a Large Civil Tiltrotor simulation with a Translational Rate Command control law that uses automatic nacelle deflections for longitudinal velocity control and lateral cyclic for lateral velocity control is presented. Results from piloted real-time simulation experiments and offline time and frequency domain analyses are used to investigate the fundamental flight dynamic and control mechanisms of the control law. The baseline Translational Rate Command conferred handling qualities improvements over an attitude command attitude hold control law but in some scenarios there was a tendency to enter PIO. Nacelle actuator rate limiting strongly influenced the PIO tendency and reducing the rate limits degraded the handling qualities further. Counterintuitively, increasing rate limits also led to a worsening of the handling qualities ratings. This led to the identification of a nacelle rate to rotor longitudinal flapping coupling effect that induced undesired pitching motions proportional to the allowable amount of nacelle rate. A modification that applied a counteracting amount of longitudinal cyclic proportional to the nacelle rate significantly improved the handling qualities. The lateral axis of the Translational Rate Command conferred Level 1 handling qualities in a Lateral Reposition maneuver. Analysis of the influence of the modeling fidelity on the lateral flapping angles is presented. It is showed that the linear modeling approximation is likely to have under-predicted the side-force and therefore under-predicted the lateral flapping at velocities above 15 ft/s. However, at lower velocities, and therefore more weakly influenced by the side force modeling, the accelerations that the control law commands also significantly influenced the peak levels of lateral flapping achieved.

Lawrence, Ben↗

Dynamic ground effects flight test of the NASA F-15 aircraft

Aerodynamic characteristics of an aircraft may significantly differ when flying close to the ground rather than when flying up and away. Recent research has also determined that dynamic effects (i.e., sink rate) influence ground effects (GE). A ground effects flight test program of the F-15 aircraft was conducted to support the propulsion controlled aircraft (PCA) program at the NASA Dryden Flight Research Center. Flight data was collected for 24 landings on seven test flights. Dynamic ground effects data were obtained for low- and high-sink rates, between 0.8 and 6.5 ft/sec, at two approach speed and flap combinations. These combinations consisted of 150 kt with the flaps down (30 deg deflection) and 170 kt with the flaps up (0 deg deflection), both with the inlet ramps in the full-up position. The aerodynamic coefficients caused by ground effects were estimated from the flight data. These ground effects data were correlated with the aircraft speed, flap setting, and sink rate. Results are compared to previous flight test and wind-tunnel ground effects data for various wings and for complete aircraft.

Corda, Stephen↗

A fresh perspective on the role of band bending, and related contributors, in light-driven production of electricity and chemicals

It is widely known that semiconductor-based solar energy conversion could power our planet. This is in part because high-quality semiconductor structures are unrivalled in their ability to separate photogenerated electrons and holes. One effective approach to achieving this photoinduced charge separation relies on a phenomenon known as “band bending”. But details to justify why band bending results in photoinduced charge separation are more complex than often appreciated. This underappreciation is an impediment to the rational, hypothesis-driven design of next-generation approaches to solar energy conversion. Herein we show, by means of derivations rooted in physical chemistry, that several phenomena – not just band bending – can facilitate photoinduced charge separation, and that each is influenced by nonequilibrium species concentration and a parameter, such as diffusion coefficient or rate coefficient, that introduces dynamics. To help visualize the impact of each phenomenon, we introduce plots that depict their contributions as free energy, force, flux, force constant, and rate. We reveal that spatial dopant distributions that define band bending are predictors of initial photogenerated species transport rates. But charge separation alone does not guarantee high-efficiency operation. A photogenerated change in energy that is freely available to do useful work is also essential, and is strongly dependent on semiconductor optical properties and reaction kinetics. Notably, this information reveals that specificity of interfacial chemical reactions – even when they are not preceded by charge separation elsewhere – can result in efficient solar energy conversion. We expect that this tutorial will guide researchers in their pursuit to uncover new mechanisms for light to perform useful work.

14 SOLAR ENERGY↗

Optimization of Solid Oxide Electrolysis Cell Systems Accounting for Long-Term Performance and Health Degradation

This study focuses on optimizing solid oxide electrolysis cell (SOEC) systems for efficient and durable long-term hydrogen (H2) production. While the elevated operating temperatures of SOECs offer advantages in terms of efficiency, they also lead to chemical degradation, which shortens cell lifespan. To address this challenge, dynamic degradation models are coupled with a steady-state, two-dimensional, non-isothermal SOEC model and steady-state auxiliary balance of plant equipment models, within the IDAES modeling and optimization framework. A quasi-steady state approach is presented to reduce model size and computational complexity. Long-term dynamic simulations at constant H2 production rate illustrate the thermal effects of chemical degradation. Dynamic optimization is used to minimize the lifetime cost of H2 production, accounting for SOEC replacement, operating, and energy expenses. Several optimized operating profiles are compared by calculating the Levelized Cost of Hydrogen (LCOH).

Giridhar, Nishant↗

Optimization of Solid Oxide Electrolysis Cell Systems Accounting for Long-Term Performance and Health Degradation

This study focuses on optimizing solid oxide electrolysis cell (SOEC) systems for efficient and durable long-term hydrogen (H2) production. While the elevated operating temperatures of SOECs offer advantages in terms of efficiency, they also lead to chemical degradation, which shortens cell lifespan. To address this challenge, dynamic degradation models are coupled with a steady-state, two-dimensional, non-isothermal SOEC model and steady-state auxiliary balance of plant equipment models, within the IDAES modeling and optimization framework. A quasi-steady state approach is presented to reduce model size and computational complexity. Long-term dynamic simulations at constant H2 production rate illustrate the thermal effects of chemical degradation. Dynamic optimization is used to minimize the lifetime cost of H2 production, accounting for SOEC replacement, operating, and energy expenses. Several optimized operating profiles are compared by calculating the Levelized Cost of Hydrogen (LCOH).

Giridhar, Nishant↗

A Unified Workflow for Sensitivity-Based Kinetic Analysis in Microkinetic Models

Degrees of rate control (DRC), apparent activation energies, and apparent reaction orders are established local sensitivity diagnostics for interpreting microkinetic models, but applying them routinely to large mechanisms often requires substantial reaction-specific bookkeeping, perturbation design, and postprocessing. Here, in this study, we present a unified derivative-based workflow that evaluates these quantities from a single compiled reaction-network model and target-rate definition. For any user-provided microkinetic model, the workflow compiles the mechanism into stoichiometrically consistent mass-action rate equations, solves the surface dynamics, and uses automatic differentiation to compute sensitivities with respect to rate constants, temperature, and gas partial pressures. By combining their calculations in the same framework, the workflow clearly demonstrates the relationships between different DRCs and the apparent activation energy. Using existing examples of propylene partial oxidation and methane oxidation on Pd(100), we verify expected transient redistribution of rate control, distinguish net Campbell DRCs from one-sided directional sensitivities, and show how apparent activation energy can be reconstructed either from one-sided DRCs or from state-based DRCs while critical mechanistic insights are obtained consistently. In the methane oxidation case, a pathway-subset test further illustrates how a simplified mechanism preserves key kinetic signatures of a full model, showing the potential of our user-friendly tool for model construction beyond kinetic analysis.

36 MATERIALS SCIENCE↗

Dissipative ground state preparation in ab initio electronic structure theory

Dissipative engineering is a powerful tool for quantum state preparation, and has drawn significant attention in quantum algorithms and quantum many-body physics in recent years. In this work, we introduce a novel approach using the Lindblad dynamics to efficiently prepare the ground state for general ab initio electronic structure problems on quantum computers, without variational parameters. These problems often involve Hamiltonians that lack geometric locality or sparsity structures, which we address by proposing two generic types of jump operators for the Lindblad dynamics. Type-I jump operators break the particle number symmetry and should be simulated in the Fock space. Type-II jump operators preserves the particle number symmetry and can be simulated more efficiently in the full configuration interaction space. For both types of jump operators, we prove that in a simplified Hartree-Fock framework, the spectral gap of our Lindbladian is lower bounded by a universal constant. For physical observables such as energy and reduced density matrices, the convergence rate of our Lindblad dynamics with Type-I jump operators remains universal, while the convergence rate with Type-II jump operators only depends on coarse grained information such as the number of orbitals and the number of electrons. To validate our approach, we employ a Monte Carlo trajectory-based algorithm for simulating the Lindblad dynamics for full ab initio Hamiltonians, demonstrating its effectiveness on molecular systems amenable to exact wavefunction treatment.

Quantum chemistry↗

Nonlinear control of a supermaneuverable aircraft

This paper describes a technique which may be used to design the flight control system for a highly maneuverable aircraft. The control system was provided to stabilize the dynamics of the aircraft model and allow it to fly simulated, poststall 'supermaneuvers'. Although the aircraft dynamics are highly nonlinear under these conditions, the gain-scheduled, flight control system was designed using basically linear techniques. A manuever generator was implemented to pilot the mathematical model through prescribed optimal trajectories. The control system design performed well while executing maneuvers involving small angular rates where the governing dynamics could be considered linear. However, the performance deteriorated once the model was subjected to high angular rates at high angle of attack.

Snell, S. Antony↗

Analytical and experimental investigations of the oblique detonation wave engine concept

Wave combustors, which include the Oblique Detonation Wave Engine (ODWE), are attractive propulsion concepts for hypersonic flight. These engines utilize oblique shock or detonation waves to rapidly mix, ignite, and combust the air-fuel mixture in thin zones in the combustion chamber. Benefits of these combustion systems include shorter and lighter engines which will require less cooling and can provide thrust at higher Mach numbers than conventional scramjets. The wave combustor's ability to operate at lower combustor inlet pressures may allow the vehicle to operate at lower dynamic pressures which could lessen the heating loads on the airframe. The research program at NASA-Ames includes analytical studies of the ODWE combustor using CFD codes which fully couple finite rate chemistry with fluid dynamics. In addition, experimental proof-of-concept studies are being carried out in an arc heated hypersonic wind tunnel. Several fuel injection designs were studied analytically and experimentally. In-stream strut fuel injectors were chosen to provide good mixing with minimal stagnation pressure losses. Measurements of flow field properties behind the oblique wave are compared to analytical predictions.

Menees, Gene P.↗

The Atmospheric Effects of HSCT Emissions Simulated by a 3-Wave Interactive Model

An interactive model which couples a semi-spectral dynamical model, a radiative transfer code and a two-dimensional chemistry transport model (2-D CTM), is used to assess the atmospheric effects of the High-Speed Civil Transport (HSCT) engine emissions. The residual mean meridional circulation, the zonal-mean temperature and the eddy diffusion coefficients are calculated using zonal means and three longest zonal waves of dynamical variables integrated in the semi-spectral dynamical model. They are used in the 2-D CTM to simulate the distribution of trace gases in the atmosphere. The simulated ozone is sent to the radiative transfer code to calculate the heating rates, which drive the dynamics. This radiative coupling connects the dynamical and photochemical processes and creates feedback when the atmosphere is perturbed. It is found that in most areas the ozone depletion caused by HSCT emissions calculated using the 3-wave model has the features similar to, but with significantly larger magnitude than that calculated by the AER 2-D CTM with prescribed transport parameters and temperature. The difference is mostly due to the differences in the circulation in the two models. The radiative feedback effects are investigated by comparing the ozone depletion calculated with the baseline dynamics and with the dynamics perturbed by the HSCT emissions. The feedback through changes in the residual mean meridional circulation and the eddy diffusion coefficients has moderate effects on the simulated ozone depletion. It reduced the ozone depletion by 20-30% in northern mid and high-latitudes. However, the feedback through changes in the zonal- mean temperature is negligible.

Shia, R.-L.↗