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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 973 records · Page 54
All sourcesNASA NTRSDOE OSTI
NASA NTRS1977

Comment on the relation between the nonadiabatic coupling and the complex intersection of potential energy curves

Simple relations are discussed that provide a correspondence between the complex intersection of two potential surfaces and the nonadiabatic coupling matrix element between those surfaces. These are key quantities in semiclassical and quantum-mechanical theories of collision-induced electronic transitions. Within the two-state approximation, the complex intersection is shown to be directly related to the location and magnitude of the peak in the nonadiabatic coupling. Two cases have been considered: (1) the avoided crossing between two potential surfaces, and (2) the spin-orbit interaction due to a 2P halogen atom. Comparisons are made between the results of the two-state model and the results of ab initio quantum chemical calculations.

Jaffe, R. L.↗
NASA NTRS1993

Contamination on LDEF: Sources, distribution, and history

An introduction to contamination effects observed on the Long Duration Exposure Facility (LDEF) is presented. The activities reported are part of Boeing's obligation to the LDEF Materials Special Investigation Group. The contamination films and particles had minimal influence on the thermal performance of the LDEF. Some specific areas did have large changes in optical properties. Films also interfered with recession rate determination by reacting with the oxygen or physically shielding underlying material. Generally, contaminant films lessen the measured recession rate relative to 'clean' surfaces. On orbit generation of particles may be an issue for sensitive optics. Deposition on lenses may lead to artifacts on photographic images or cause sensors to respond inappropriately. Particles in the line of sight of sensors can cause stray light to be scattered into sensors. Particles also represent a hazard for mechanisms in that they can physically block and/or increase friction or wear on moving surfaces. LDEF carried a rather complex mixture of samples and support hardware into orbit. The experiments were assembled under a variety of conditions and time constraints and stored for up to five years before launch. The structure itself was so large that it could not be baked after the interior was painted with chemglaze Z-306 polyurethane based black paint. Any analysis of the effects of molecular and particulate contamination must account for a complex array of sources, wide variation in processes over time, and extreme variation in environment from ground to launch to flight. Surface conditions at certain locations on LDEF were established by outgassing of molecular species from particular materials onto adjacent surfaces, followed by alteration of those species due to exposure to atomic oxygen and/or solar radiation.

Pippin, Gary↗
NASA NTRS2003

Contributions of the NASA Langley Research Center to the DARPA/AFRL/NASA/ Northrop Grumman Smart Wing Program

An overview of the contributions of the NASA Langley Research Center (LaRC) to the DARPA/AFRL/NASA/ Northrop Grumman Corporation (NGC) Smart Wing program is presented. The overall objective of the Smart Wing program was to develop smart** technologies and demonstrate near-flight-scale actuation systems to improve the aerodynamic performance of military aircraft. NASA LaRC s roles were to provide technical guidance, wind-tunnel testing time and support, and Computational Fluid Dynamics (CFD) analyses. The program was divided into two phases, with each phase having two wind-tunnel entries in the Langley Transonic Dynamics Tunnel (TDT). This paper focuses on the fourth and final wind-tunnel test: Phase 2, Test 2. During this test, a model based on the NGC Unmanned Combat Air Vehicle (UCAV) concept was tested at Mach numbers up to 0.8 and dynamic pressures up to 150 psf to determine the aerodynamic performance benefits that could be achieved using hingeless, smoothly-contoured control surfaces actuated with smart materials technologies. The UCAV-based model was a 30% geometric scale, full-span, sting-mounted model with the smart control surfaces on the starboard wing and conventional, hinged control surfaces on the port wing. Two LaRC-developed instrumentation systems were used during the test to externally measure the shapes of the smart control surface and quantify the effects of aerodynamic loading on the deflections: Videogrammetric Model Deformation (VMD) and Projection Moire Interferometry (PMI). VMD is an optical technique that uses single-camera photogrammetric tracking of discrete targets to determine deflections at specific points. PMI provides spatially continuous measurements of model deformation by computationally analyzing images of a grid projected onto the model surface. Both the VMD and PMI measurements served well to validate the use of on-board (internal) rotary potentiometers to measure the smart control surface deflection angles. Prior to the final entry, NASA LaRC also performed three-dimensional unstructured Navier Stokes CFD analyses in an attempt to predict the potential aerodynamic impact of the smart control surface on overall model forces and moments. Eight different control surface shapes were selected for study at Mach = 0.6, Reynolds number = 3.25 x 10(exp 6), and + 2 deg., 3 deg., 8 deg., and 10 deg.model angles-of-attack. For the baseline, undeflected control surface geometry, the CFD predictions and wind-tunnel results matched well. The agreement was not as good for the more complex aero-loaded control surface shapes, though, because of the inability to accurately predict those shapes. Despite these results, the NASA CFD study served as an important step in studying advanced control effectors.

Florance, Jennifer P.↗
DOE OSTI2017

Lead and selenite adsorption at water–goethite interfaces from first principles

Here, the complexation of toxic and/or radioactive ions on to mineral surfaces is an important topic in geochemistry. We apply periodic-boundary-conditions density functional theory (DFT) molecular dynamics simulations to examine the coordination of Pb(II), ${\rm SeO}_3^{2-}$ , and their contact ion pairs to goethite (1 0 1) and (2 1 0) surfaces. The multitude of Pb(II) adsorption sites and possibility of Pb(II)-induced FeOH deprotonation make this a complex problem. At surface sites where Pb(II) is coordinated to three FeO and/or FeOH groups, and with judicious choices of FeOH surface group protonation states, the predicted Fe–Pb distances are in good agreement with EXAFS measurements. Trajectories where Pb(II) is in part coordinated to only two surface Fe–O groups exhibit larger fluctuations in Pb–O distances. Pb(II)/${\rm SeO}_3^{2-}$ contact ion pairs are at least metastable on goethite (2 1 0) surfaces if the ${\rm SeO}_3^{2-}$ has a monodentate Se–O–Fe bond. Our DFT-based molecular dynamics calculations are a prerequisite for calculations of finite temperature equilibrium binding constants of Pb(II) and Pb(II)/${\rm SeO}_3^{2-}$ ion pairs to goethite adsorption sites.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Efficient Computation Of Surface Sunlit Fractions In Urban-Scale Building Modeling Using Ray-Tracing Techniques

For building energy simulation at an urban-scale, solar shading calculations can be significantly slow when a large number of shading surfaces are considered in the solar shading calculations, due to the computational complexity of the geometry calculations. We developed a new algorithm using the ray-tracing technique to pre-calculate the sunlit fractions of all exterior surfaces in an urban district altogether. The ray tracing-based calculator is accelerated using General Purpose Graphics Processing Units (GPGPUs) and the Optix ray tracing library, and provides an efficient, flexible, and robust means for computing the sunlit fraction of large numbers of urban surfaces of complex geometries.

Luo, Xuan↗
NASA NTRS1985

Prediction of HiMAT RPRV component interference effects at transonic speeds

Detailed surface flow field analyses of the NASA Highly Maneuverable Aircraft Technology Remotely Piloted Research Vehicle (HiMAT RPRV) are described. Computational predictions are provided by a nonlinear finite difference transonic wing-body code. Component interference effects are obtained through modifications in lifting surface twist and camber boundary conditions. Complex aircraft interactions created by wing-tip fins, landing gear, and lower surface wing actuator fairings are included. Lifting surface viscous flow effects are modeled using a two-dimensional 'strip' boundary layer method. Correlations with flight test data presented demonstrate the high degree of accuracy achieved for this realistic aircraft configuration. This methodology and approach appears to be generally applicable to other multisurface configurations.

Laiosa, J.↗
NASA NTRS2014

Computational Aerodynamic Analysis of Three-Dimensional Ice Shapes on a NACA 23012 Airfoil

The present study identifies a process for performing computational fluid dynamic calculations of the flow over full three-dimensional (3D) representations of complex ice shapes deposited on aircraft surfaces. Rime and glaze icing geometries formed on a NACA23012 airfoil were obtained during testing in the NASA Glenn Research Center's Icing Research Tunnel (IRT). The ice shape geometries were scanned as a cloud of data points using a 3D laser scanner. The data point clouds were meshed using Geomagic software to create highly accurate models of the ice surface. The surface data was imported into Pointwise grid generation software to create the CFD surface and volume grids. It was determined that generating grids in Pointwise for complex 3D icing geometries was possible using various techniques that depended on the ice shape. Computations of the flow fields over these ice shapes were performed using the NASA National Combustion Code (NCC). Results for a rime ice shape for angle of attack conditions ranging from 0 to 10 degrees and for freestream Mach numbers of 0.10 and 0.18 are presented. For validation of the computational results, comparisons were made to test results from rapid-prototype models of the selected ice accretion shapes, obtained from a separate study in a subsonic wind tunnel at the University of Illinois at Urbana-Champaign. The computational and experimental results were compared for values of pressure coefficient and lift. Initial results show fairly good agreement for rime ice accretion simulations across the range of conditions examined. The glaze ice results are promising but require some further examination.

Aerodynamics↗
NASA NTRS2014

Computational Aerodynamic Analysis of Three-Dimensional Ice Shapes on a NACA 23012 Airfoil

The present study identifies a process for performing computational fluid dynamic calculations of the flow over full three-dimensional (3D) representations of complex ice shapes deposited on aircraft surfaces. Rime and glaze icing geometries formed on a NACA23012 airfoil were obtained during testing in the NASA Glenn Research Centers Icing Research Tunnel (IRT). The ice shape geometries were scanned as a cloud of data points using a 3D laser scanner. The data point clouds were meshed using Geomagic software to create highly accurate models of the ice surface. The surface data was imported into Pointwise grid generation software to create the CFD surface and volume grids. It was determined that generating grids in Pointwise for complex 3D icing geometries was possible using various techniques that depended on the ice shape. Computations of the flow fields over these ice shapes were performed using the NASA National Combustion Code (NCC). Results for a rime ice shape for angle of attack conditions ranging from 0 to 10 degrees and for freestream Mach numbers of 0.10 and 0.18 are presented. For validation of the computational results, comparisons were made to test results from rapid-prototype models of the selected ice accretion shapes, obtained from a separate study in a subsonic wind tunnel at the University of Illinois at Urbana-Champaign. The computational and experimental results were compared for values of pressure coefficient and lift. Initial results show fairly good agreement for rime ice accretion simulations across the range of conditions examined. The glaze ice results are promising but require some further examination.

Aerodynamics↗
NASA NTRS1995

A versatile system for processing geostationary satellite data with run-time visualization capability

To better predict global climate change, scientists are developing climate models that require interdisciplinary and collaborative efforts in their building. We are currently involved in several such projects but will briefly discuss activities in support of two such complementary projects: the Atmospheric Radiation Measurement (ARM) program of the Department of Energy and Sequoia 2000, a joint venture of the University of California, the private sector, and government agencies. Our contribution to the ARM program is to investigate the role of clouds on the top of the atmosphere and on surface radiance fields through the data analysis of surface and satellite observations and complex modeling of the interaction of radiation with clouds. One of our first ARM research activities involves the computation of the broadband shortwave surface irradiance from satellite observations. Geostationary satellite images centered over the first ARM observation site are received hourly over the Internet network and processed in real time to compute hourly and daily composite shortwave irradiance fields. The images and the results are transferred via a high-speed network to the Sequoia 2000 storage facility in Berkeley, where they are archived These satellite-derived results are compared with the surface observations to evaluate the accuracy of the satellite estimate and the spatial representation of the surface observations. In developing the software involved in calculating the surface shortwave irradiance, we have produced an environment whereby we can easily modify and monitor the data processing as required. Through the principles of modular programming, we have developed software that is easily modified as new algorithms for computation are developed or input data availability changes. In addition, the software was designed so that it could be run from an interactive, icon-driven, graphical interface, TCL-TK, developed by Sequoia 2000 participants. In this way, the data flow can be interactively assessed and altered as needed. In this environment, the intermediate data processing 'images' can be viewed, enabling the investigator to easily monitor the various data processing steps as they progress. Additionally, this environment allows the rapid testing of new processing modules and allows their effects to be visually compared with previous results.

Landsfeld, M.↗
NASA NTRS2017

A Comparative Study of Simulated and Measured Main Landing Gear Noise for Large Civil Transports

Computational results for the NASA 26%-scale model of a six-wheel main landing gear with and without a toboggan-shaped noise reduction fairing are presented. The model is a high-fidelity representation of a Boeing 777-200 aircraft main landing gear. A lattice Boltzmann method was used to simulate the unsteady flow around the model in isolation. The computations were conducted in free-air at a Mach number of 0.17, matching a recent acoustic test of the same gear model in the Virginia Tech Stability Wind Tunnel in its anechoic configuration. Results obtained on a set of grids with successively finer spatial resolution demonstrate the challenge in resolving/capturing the flow field for the smaller components of the gear and their associated interactions, and the resulting effects on the high-frequency segment of the farfield noise spectrum. Farfield noise spectra were computed based on an FWH integral approach, with simulated pressures on the model solid surfaces or flow-field data extracted on a set of permeable surfaces enclosing the model as input. Comparison of these spectra with microphone array measurements obtained in the tunnel indicated that, for the present complex gear model, the permeable surfaces provide a more accurate representation of farfield noise, suggesting that volumetric effects are not negligible. The present study also demonstrates that good agreement between simulated and measured farfield noise can be achieved if consistent post-processing is applied to both physical and synthetic pressure records at array microphone locations.

Konig, Benedikt↗
DOE OSTI2019

Kinetic Study of the OH + Ethylene Reaction using Frequency Modulated Laser Absorption Spectroscopy

The pressure dependence of the OH + C 2 H 4 addition reaction has been investigated using frequency modulated laser absorption spectroscopy to monitor OH kinetics. Bimolecular rate coefficients for the title reaction are reported in argon bath gas at room temperature and total pressures ranging from 2–361Torr. The pressure dependent rate coefficients measured here agree well with the majority of published kinetic studies under similar conditions. Previous high-level ab initio calculations have identified a pre-reaction complex on the OH + C 2 H 4 potential energy surface. In conclusion, the influence of this complex on the OH + C 2 H 4 kinetics has been investigated using one-dimensional master equation analyses of the current and previous experimental measurements

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

The coordination chemistry of oxide and nanocarbon materials

Understanding how a ligand affects the steric and electronic properties of a metal is the cornerstone of the inorganic chemistry enterprise. What happens when the ligand is an extended surface? This question is central to the design and implementation of state-of-the-art functional materials containing transition metals. Here, this perspective will describe how these two very different sets of extended surfaces can form well-defined coordination complexes with metals. In the Green formalism, functionalities on oxide surfaces react with inorganics to form species that contain X-type or LX-type interactions between the metal and the oxide. Carbon surfaces are neutral L-type ligands; this perspective focuses on carbons that donate six electrons to a metal. The nature of this interaction depends on the curvature, and thereby orbital overlap, between the metal and the extended π-system from the nanocarbon.

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

Follistatin Forms a Stable Complex With Inhibin A That Does Not Interfere With Activin A Antagonism

Abstract Inhibins are transforming growth factor-β family heterodimers that suppress follicle-stimulating hormone (FSH) secretion by antagonizing activin class ligands. Inhibins share a common β chain with activin ligands. Follistatin is another activin antagonist, known to bind the common β chain of both activins and inhibins. In this study, we characterized the antagonist-antagonist complex of inhibin A and follistatin to determine if their interaction impacted activin A antagonism. We isolated the inhibin A:follistatin 288 complex, showing that it forms in a 1:1 stoichiometric ratio, different from previously reported homodimeric ligand:follistatin complexes, which bind in a 1:2 ratio. Small angle X-ray scattering coupled with modeling provided a low-resolution structure of inhibin A in complex with follistatin 288. Inhibin binds follistatin via the shared activin β chain, leaving the α chain free and flexible. The inhibin A:follistatin 288 complex was also shown to bind heparin with lower affinity than follistatin 288 alone or in complex with activin A. Characterizing the inhibin A:follistatin 288 complex in an activin-responsive luciferase assay and by surface plasmon resonance indicated that the inhibitor complex readily dissociated upon binding type II receptor activin receptor type IIb, allowing both antagonists to inhibit activin signaling. Additionally, injection of the complex in ovariectomized female mice did not alter inhibin A suppression of FSH. Taken together, this study shows that while follistatin binds to inhibin A with a substochiometric ratio relative to the activin homodimer, the complex can dissociate readily, allowing both proteins to effectively antagonize activin signaling.

Endocrinology & Metabolism↗
NASA NTRS1981

Electrostatic discharging behaviour of Kapton irradiated with electrons

The electrostatic charging and discharging of Kapton when irradiated with monoenergetic electrons of 5 to 30 keV energy were studied. The leakage currents and rates of discharging always increased with the incident electron energy and flux, whereas the surface voltage showed a more complex behavior depending on the thickness of the material: for the thinner films it exhibited a maximum and then fell at higher energies. The surface voltage, the rate of discharging, and the peak current and total charge flow during a discharge were enhanced as the temperature was decreased from 70 C to -180 C, and were accompanied by a decreasing leakage current. Visible light or the presence of an aluminum coating on the irradiated surface caused reductions in the surface voltage and changes in the discharging characteristics. The results are discussed in terms of the leakage currents and the secondary emission of electrons. Photomicrographs taken after irradiation, and photographs of samples during irradiation, show good correlations between the positions of light flashes and of pinholes produced by the discharge arcs.

Verdin, D.↗
NASA NTRS1987

Electromagnetic scattering by impedance structures

The scattering of electromagnetic waves from impedance structures is investigated, and current work on antenna pattern calculation is presented. A general algorithm for determining radiation patterns from antennas mounted near or on polygonal plates is presented. These plates are assumed to be of a material which satisfies the Leontovich (or surface impedance) boundary condition. Calculated patterns including reflection and diffraction terms are presented for numerious geometries, and refinements are included for antennas mounted directly on impedance surfaces. For the case of a monopole mounted on a surface impedance ground plane, computed patterns are compared with experimental measurements. This work in antenna pattern prediction forms the basis of understanding of the complex scattering mechanisms from impedance surfaces. It provides the foundation for the analysis of backscattering patterns which, in general, are more problematic than calculation of antenna patterns. Further proposed study of related topics, including surface waves, corner diffractions, and multiple diffractions, is outlined.

Balanis, Constantine A.↗
DOE OSTI2025

Evaporation of a Reactive Nanofluid Sessile Drop: Capturing Rapid Emergence of Surface Crystals with In Situ Synchrotron X-ray Diffraction

Mechanisms for surface pattern formation from evaporation of a reactive nanofluid sessile drop are not well understood. In contrast to the coffee-ring effect from inert particles, rapid chemical and morphological transformation of reactive nanoparticles upon rapid evaporative drying are challenging to probe experimentally. Here, using grazing-incidence X-ray surface scattering, the nanostructure of nascent surface patterns has been probed as a ZnO nanofluid sessile drop rapidly dries. The high temporal resolution enabled by the high flux of synchrotron X-rays allows the observation of the emergence of Zn(OH) 2 surface crystals from the onset of evaporation and their rapid evolution into the final residual surface pattern, via transient layered complexes evident from the temporary appearance of X-ray diffraction peaks preceding Zn(OH) 2 formation. The results offer mechanistic insights of morphogenesis of surface patterns from evaporation-induced self-assembly and self-organization of reactive nanofluids, previously untenable using other experimental methods.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Molecularly Functionalized Electrodes for Efficient Electrochemical Water Remediation

Here, the development and investigation of materials that leverage unique interfacial effects on electronic structure and redox chemistry are likely to play an outstanding role in advanced technologies for wastewater treatment. Here, the use of surface functionalization of metal oxides with a Ru(II)poly(pyridyl) complex was reported as a way to create hybrid assemblies with optimized electrochemical performance for water remediation, superior to those that could be achieved with the molecular catalyst or metal-oxide electrodes used individually. Mechanistic analysis demonstrated that the molecularly functionalized electrodes could suppress the formation of hydroxyl radicals (i. e., the dominant remediation pathway for bare metal-oxide electrodes), allowing the water remediation to proceed through the highly oxidizing Ru 3+ ions in the surface-bound complexes. Furthermore, the underlying metal-oxide substrates played a crucial role in altering the electronic structure and electrochemical properties of the surface-bound catalyst, such that the competing side reaction (i. e., water splitting) was largely inhibited.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Chemical Potential Driven Reorganization of Anions between Stern and Diffuse Layers at the Air/Water Interface

We report ion adsorption and transfer at charged interfaces play key roles in various industrial and environmental processes. Molecular scale details of ion-ion, ion-water, and ion-surface interactions are still debated. Complex ions, such as SCN - and SeCN - , are particularly interesting due to their unexpected adsorption trends. Here, we combine vibrational sum frequency generation (VSFG) spectroscopy and surface-sensitive synchrotron X-ray studies to provide a detailed description of SeCN - adsorption at a floating charged monolayer. Polarimetry studies show that the average orientation of SeCN - anions with respect to the surface normal decreases from 45° to 22° with the increasing KSeCN concentration. Interfacial SeCN - coverage saturates at very low bulk concentrations, but their orientational organization, distribution between Stern and diffuse layers, and effects on the hydrogen-bonding network of the interfacial water continue to change with increasing bulk KSeCN concentration. These results show that the increasing chemical potential may lead to further reorganization of the adsorbed ions, even though the total interfacial ion population does not change. The reorganization of the interfacial ions and the water may be very important in chemical separations of heavy metals, where metal-anion complexes drive the selective ion transfer at aqueous interfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗