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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 253 records · Page 14

Reductive Elimination From Tetra‐Alkyl Cuprates [Me n Cu(CF 3 ) 4− n ] − ( n =0–4): Beyond Simple Oxidation States

Abstract In recent years, the electronic structures of organocuprates in general and the complex [Cu(CF 3 ) 4 ] − in particular have attracted significant interest. A possible key indicator in this context is the reactivity of these species. Nonetheless, this aspect has received only limited attention. Here, we systematically study the series of tetra‐alkyl cuprates [Me n Cu(CF 3 ) 4− n ] − and their unimolecular reactivity in the gas phase, which includes concerted formal reductive eliminations as well as radical losses. Through computational studies, we characterize the electronic structures of the complexes and show how these are connected to their reactivity. We find that all [Me n Cu(CF 3 ) 4− n ] − ions feature inverted ligand fields and that the distinct reactivity patterns of the individual complexes arise from the interplay of different effects.

Zimmer, Bastian↗

Characterizing Baselines and Change in Gas Hydrate Systems using EM Methods

The objective of this project was to advance our understanding of gas hydrate systems in nature by characterizing their electrical properties in the field and in the laboratory. In the laboratory measurements, methane hydrate was synthesized from pure water ice and flash frozen seawater, with varying amounts of sand or silt added. Electrical conductivity was determined by impedance spectroscopy, using equivalent circuit modeling to separate the effects of electrodes and to gain insight into conduction mechanisms. Silt and sand increase the conductivity of pure hydrate, inferred to be contaminant NaCl contributing to conduction in hydrate, to a peak conductivity in agreement with peak resistivities observed in well logs through massive hydrate (3,000--10,000 Ωm). The addition of silt and sand lowers the conductivity of hydrate synthesized from seawater, by an amount consistent with Archie's Law. All samples were characterized using cryogenic scanning electron microscopy and energy dispersive spectroscopy, which shows good connectivity of salt and brine phases. Electrical conductivity measurements of pure hydrate and hydrate mixed with silt during pressure-induced dissociation supports previous conclusions that sediment increases dissociation rate. In order to characterize gas hydrate systems in the field, we collected 360 line kilometers of controlled-source electromagnetic data on Walker Ridge 313, Orca Basin (WR100), Mad Dog (GC781), and Green Canyon 955 in the Gulf of Mexico, all areas with known or seismically inferred gas hydrate deposits and which have be drilled or targeted for future drilling. We deep-towed an EM transmitter that generates an alternating electric field which propagates through the seafloor geology. Data were recorded on 6 receivers towed behind the transmitter at distances between 550 and 1550 m. In the presence of conductive geology, the electric fields will be attenuated, and conversely, in resistive geology the fields will be preserved. Our data were inverted using a 2D inversion method that first optimizes the model-data misfit, then finds the smoothest model fitting the data. This ensures that resistivity structures present in the final model are likely necessary. At each of the proposed drilling sites we found increased resistivity, interpreted as increased hydrate concentrations. However, not only were the primary drilling sites not always more resistive than the alternate sites, at WR313 the strongest resistors were not at the locations targeted for drilling.

03 NATURAL GAS↗

Investigation of turbulent shear flows by numerical simulation

A data base (Kim et al., 1986) generated by direct numerical integration of the Navier-Stokes equations for unsteady three-dimensional turbulent channel flow at low Reynolds numbers is applied to investigate the physical processes acting in wall-bounded shear flows. The techniques used to construct the data base are outlined; the modeling of turbulence, streaks and streamwise vortices, horseshoe and inverted-horseshoe vortices, and vortex rings is described; the conditional sampling techniques employed are discussed; and typical results are presented graphically. An organized vorticity-field structure is revealed and found to be associated with the bursting process and a local peak in the wall pressure, indicating a possible approach to reducing viscous drag.

Kim, J.↗

Sensor-based diagnosis using knowledge of structure and function

A system for fault detection and isolation called LES, developed at the Kennedy Space Center for the Space Shuttle's Launch Processing System, is a well-developed diagnostic system that is simultaneously model-based and sensor-based. This experiment has led to a surprising result: the failure of a sensor can not only be handled in precisely the same way as the failure of any other object, but may present an especially easy case. Classical rule-based diagnostic systems need to find out whether or not their sensors are telling them the truth before they can safely draw inferences from them. By contrast, while LES does treat sensors as a special case, it does so only because there may exist a short cut that allows them to be handled more simply than other objects. LES uses both structural and functional knowledge, and has found cases in which the structural knowledge can be economically replaced by the judicious use of functional relationships; LES' functional relationships are stored in exactly one place, so they must be inverted to determine hypothetical values for possibly faulty objects. The inversion process has been extended to include conditional functions not normally considered to have inverses.

Scarl, Ethan A.↗

Structure of an energetic narrow discrete arc

Particle distributions, waves, dc electric fields, and magnetic fields were measured by two sounding rockets at altitudes of 950 and 430 km through an energetic (greater than 5 keV) narrow (about 10 km) stable discrete arc. Although the payloads' magnetic footprints were separated by only 50 km, differences in the arc's structure were observed including the spatial width, peak energy, and characteristic spectra. The energetic electron precipitation included both slowly varying isotropic fluxes that formed an inverted-V energy-time signature and rapidly varying field-aligned fluxes at or below the isotropic spectral peak. The isotropic precipitation had a flux discontinuity inside the arc indicating the arc was present on a boundary between two different magnetospheric plasmas. Dispersive and nondispersive bursts of field-aligned electrons were measured throughout the arc, appearing over broad energy ranges or as monoenergetic beams. Dispersive bursts gave variable source distances less than 8000 km. Plateauing of some of the most intense bursts suggests that waves stabilized these electrons. During the lower altitude arc crossing, the field-aligned component formed a separate inverted-V energy-time signature whose peak energy was half the isotropic peak energy.

Mcfadden, J. P.↗

Extinction of the Stagnation Point Diffusion Flame: Effect of Conductive Heat Loss into Solid Interior

The flammability boundary of a solid is U-shaped with the ordinate as ambient oxygen percentage (or total pressure) and the abscissa represents flow velocity, gravity level, stretch rate, etc. The left side of the flammability boundary is the quenching branch, and the right side is the blow-off branch. Quenching is due to a weak flame whose heat release from combustion cannot overcome the excessive heat losses from, for example, radiation. Blow-off is due to a short gas residence time that is smaller than the chemical reaction time (traditionally referred to as the small Damköhler number effect). For thick solids, the heat conduction into the solid interior has a long transient after ignition before the solid temperature reaches the steady state. During this slow transient, there is excessive (i.e. more than that at the steady state) gas phase heat conduction into the solid interior. From the viewpoint of the quasi-static gaseous flame, this is an additional heat loss that will affect the gas flame's flammability. In this work, a previously developed one-dimensional axisymmetric stagnation-point diffusion flame model is extended to account for the excessive heat loss into the solid beyond the steady burning state. A non-dimensional excessive conductive heat loss parameter Ψ is defined in the paper to account for the transient solid effect. For each Ψ, the gas phase is considered reaching a quasi-steady state. Extensive numerical computations have been performed to determine the extinction boundary and the characteristics of near-limit flames. The U-shaped flammability boundary is now a series of boundaries with Ψ as a parameter. Flame structures under the same environment condition but with different Ψ are compared. For a given oxygen ambient, the extinction boundary Ψ vs stretch rate is an inverted U-shape. The boundary consists of a blowoff branch and a radiative quenching branch. Extensive computed data including flame and pyrolysis temperatures, burning rate, flame standoff distance, species concentration, and reaction rate are presented along the extinction boundaries. Heat balance analysis is performed for both the gas phase and the gas-solid interface. Along the extinction boundary, the relative importance of conduction, convection, radiation, and chemical reaction are analyzed in detail.

Stagnation point diffusion flame↗

High-altitude observations of an intense inverted V event

Inverted-V events which generally occur in the pre-midnight sector over the auroral zone are frequently associated with reversals in the convection electric field. Such a reversal is observed by the University of Iowa quasispherical LEPEDEA on board ISEE 1 at an altitude of 13 RE on May 1, 1978. The bulk of the plasma shows a large shear over a five-minute interval. The associated change in the convection electric field is 5.1 mV/m. Large values of the field-aligned current are simultaneously detected. The potential structure appears to extend to the satellite location. Using a theoretical model, the field-aligned current due to the electric field discontinuity has been calculated. The magnitude of the parallel potential drop and width of the inverted-V region agree well with observation.

Huang, C. Y.↗

Remote sensing of earth terrain

In remote sensing, the encountered geophysical media such as agricultural canopy, forest, snow, or ice are inhomogeneous and contain scatters in a random manner. Furthermore, weather conditions such as fog, mist, or snow cover can intervene the electromagnetic observation of the remotely sensed media. In the modelling of such media accounting for the weather effects, a multi-layer random medium model has been developed. The scattering effects of the random media are described by three-dimensional correlation functions with variances and correlation lengths corresponding to the fluctuation strengths and the physical geometry of the inhomogeneities, respectively. With proper consideration of the dyadic Green's function and its singularities, the strong fluctuation theory is used to calculate the effective permittivities which account for the modification of the wave speed and attenuation in the presence of the scatters. The distorted Born approximation is then applied to obtain the correlations of the scattered fields. From the correlation of the scattered field, calculated is the complete set of scattering coefficients for polarimetric radar observation or brightness temperature in passive radiometer applications. In the remote sensing of terrestrial ecosystems, the development of microwave remote sensing technology and the potential of SAR to measure vegetation structure and biomass have increased effort to conduct experimental and theoretical researches on the interactions between microwave and vegetation canopies. The overall objective is to develop inversion algorithms to retrieve biophysical parameters from radar data. In this perspective, theoretical models and experimental data are methodically interconnected in the following manner: Due to the complexity of the interactions involved, all theoretical models have limited domains of validity; the proposed solution is to use theoretical models, which is validated by experiments, to establish the region in which the radar response is most sensitive to the parameters of interest; theoretically simulated data will be used to generate simple invertible models over the region. For applications to the remote sensing of sea ice, the developed theoretical models need to be tested with experimental measurements. With measured ground truth such as ice thickness, temperature, salinity, and structure, input parameters to the theoretical models can be obtained to calculate the polarimetric scattering coefficients for radars or brightness temperature for radiometers and then compare theoretical results with experimental data. Validated models will play an important role in the interpretation and classification of ice in monitoring global ice cover from space borne remote sensors in the future. We present an inversion algorithm based on a recently developed inversion method referred to as the Renormalized Source-Type Integral Equation approach. The objective of this method is to overcome some of the limitations and difficulties of the iterative Born technique. It recasts the inversion, which is nonlinear in nature, in terms of the solution of a set of linear equations; however, the final inversion equation is still nonlinear. The derived inversion equation is an exact equation which sums up the iterative Neuman (or Born) series in a closed form and, thus, is a valid representation even in the case when the Born series diverges; hence, the name Renormalized Source-Type Integral Equation Approach.

Yueh, Herng-Aung↗

Lepton flavor asymmetries: from the early Universe to BBN

Large primordial lepton flavor asymmetries with almost vanishing total baryon-minus-lepton number can evade the usual BBN and CMB constraints if neutrino oscillations lead to perfect flavor equilibration. Solving the momentum averaged quantum kinetic equations (QKEs) describing neutrino oscillations and interactions, we perform the first systematic investigation of this scenario, uncovering a rich flavor structure in stark contradiction to the assumption of simple flavor equilibration. We find (i) a particular direction in flavor space, ∆ne ≃ – 2/3 (– 1)∆n μ for normal (inverted) neutrino mass hierarchy, in which the flavor equilibration is efficient and primordial asymmetries are essentially unconstrained, (ii) a minimal washout factor, ∆$n_{e}^{2}$| BBN ≤ 0.03 (0.016) ∑ α ∆$n_{α}^{2}$| ini yielding a conservative estimate for the allowed primordial asymmetries in a generic flavor direction, and (iii) particularly strong or weak washout if one of the initial flavor asymmetries vanishes due to non-adiabatic muon- or electron-driven MSW transitions. These results open up the possibility of a first-order QCD phase transition facilitated by large lepton asymmetries as well as baryogenesis from large and compensated ∆n e = ∆n μ asymmetries. Our systematic approach of deriving momentum averaged QKEs includes collision terms beyond the damping approximation, energy transfer between the neutrino and electron-photon plasma, and provides a fast and reliable way to investigate the impact of primordial lepton asymmetries at the time of BBN. We publicly release the Mathematica code COFLASY-M on https://github.com/mariofnavarro/COFLASY which solves the QKEs numerically.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Towards efficient light emitters via computational design of molecules with inverted singlet-triplet gaps

To move toward rational design of efficient organic light emitting diodes based on the radical idea of inverted singlet-triplet gap (INVEST) systems, we propose a set of novel quantum chemical approaches, predictive but low-cost, to unveil a set of structural-property relationships. We perform a computational study of a series of substituted molecules based on a small set of known INVEST molecules. Our study demonstrates a high degree of correlation between the intramolecular charge transfer and the singlet-triplet energy gap and hints towards the use of a quantitative estimate of charge transfer to predict and modulate these energy gaps. We aim to create a database of INVEST molecules that includes accurate benchmarks of singlet-triplet energy gaps. Furthermore, we aim to link structural features and molecular properties, enabling a control knob for rational design.

42 ENGINEERING↗

Shock associated noise reduction from inverted-velocity-profile coannular jets

Acoustic measurements show that the shock noise from the outer stream is virtually eliminated when the inner stream is operated at a Mach number just above unity, regardless of all the other jet operating conditions. At this optimum condition, the coannular jet provides the maximum noise reduction relative to the equivalent single jet. The shock noise reduction can be achieved at inverted-as well as normal-velocity-profile conditions, provided the coannular jet is operated with the inner stream just slightly supersonic. Analytical models for the shock structure and shock noise are developed indicate that a drastic change in the outer stream shock cell structure occurs when the inner stream increases its velocity from subsonic to supersonic. At this point, the almost periodic shock cell structure of the outer stream nearly completely disappears the noise radiated is minimum. Theoretically derive formulae for the peak frequencies and intensity scaling of shock associated noise are compared with the measured results, and good agreement is found for both subsonic and supersonic inner jet flows.

Tanna, H. K.↗

The Next Generation Marshall Grazing Incidence X-Ray Spectrometer (MaGIXS) Sounding Rocket Experiments

The Marshall Grazing Incidence X-ray Spectrometer (MaGIXS) is a sounding rocket experiment that carries an X-ray slitless imaging spectrograph to observe spectrally dispersed soft X-ray (SXR) images of the solar corona over a wide field-of-view. The first flight of MaGIXS occurred on 30 July 2021, during which several emission lines from coronal structures including X-ray bright points were observed. Analysis of MaGIXS-1 data demonstrated the application of new inversion techniques and opened a new arena of inverting complex spectroheliogram data, which has spatial-spectral information overlapped. The second flight of MaGIXS, with a simplified optical design, is scheduled for 2024. The goal of MaGIXS-2 is to observe high temperature diagnostic emission lines within an active region core. MaGIXS-1 discovered dominant missing emission lines near 15Å wavelength region, which hosts several closely spaced satellite lines of Fe XVII, Fe XVI, and Fe XV ions, arising from relatively cool plasma that peaks near 2MK. These lines are expected to be enhanced at lower temperatures and offers one of the most unique diagnostics to measure electron temperature, as well as signatures of equilibrium state of the plasma in active regions, which has not been studied so far. The science goal of the third sounding rocket flight of MaGIXS is to determine coronal heating parameters, such as the spatial and temporal properties of coronal heating events, by measuring discriminating observations, such as electron temperature, effective temperature, density, abundance, and departures from thermal equilibrium of the plasma, by observing the Sun in the SXR wavelength range. For this, the MaGIXS instrument will be upgraded with a new X-ray telescope mirror that will provide higher spatial and spectral resolution and throughput, allowing for spectral lines to be observed at the relevant spatial and temporal scales. In addition, MaGIXS-3 will also carry The Resolving Inversion Context X-ray Spectrometer (TRICXS), a high dispersion Bragg crystal spectrometer to spectrally resolve the lines near 15Å, critical to unlock the full diagnostic potential of this wavelength range. Here we will present the preliminary concept design of MaGIXS-3 and discuss the potential observations.

X-ray Imaging↗

Potential vorticity structure of Titan's polar vortices from Cassini CIRS observations

The Cassini mission has provided the best opportunity to date to extensively study the seasonal variation in Titan’s atmosphere, with observations spanning almost half a Titan year (𝐿𝑠 = 293 − 93°). An important feature in the Titan middle-atmosphere is the formation of a polar vortex. Observations have shown that an initially well-developed northern vortex enriched with trace gas species gradually breaks down after spring equinox as a new vortex emerges in southern winter. Here we use Cassini CIRS observations to derive the temperature and composition of the middle-atmosphere. We use the gradient wind equation to first estimate the mean zonal winds, and then the Potential Vorticity (PV) throughout Titan’s atmosphere over the timespan of the Cassini mission. PV is a useful diagnostic quantity for studying the dynamics of polar vortices because it is materially conserved for adiabatic and frictionless flows, and can be inverted to find all other dynamical fields. Our results show the formation of a strong zonal jet in the winter hemisphere, with wind velocities reaching 220 m/s, which is consistent with previous studies. An annular PV structure is also observed over the winter poles, whereby a ring of PV encircles a local minima over the pole. Such distributions are often found to be unstable without a restoring force, yet they are seen here in numerous observations in both the northern and southern hemispheres. A comparison with the annular Martian vortices shows that latent heat release from condensation or subsidence-induced adiabatic heating may explain the origin and stability of the annulus. Finally, we investigate the evolution of the size of the vortices and the role of strong PV gradients as a dynamical mixing barrier for trace gas species across the vortex edge. We find that longer lived gases are less confined to the vortex than those with shorter photochemical lifetimes.

Conor Andrew Nixon↗

Three-Dimensional Vibration Isolator for Suppressing High-Frequency Responses for Sage III Contamination Monitoring Package (CMP)

The Stratospheric Aerosol and Gas Experiment (SAGE) III - International Space Station (ISS) instrument will be used to study ozone, providing global, long-term measurements of key components of the Earth's atmosphere for the continued health of Earth and its inhabitants. SAGE III is launched into orbit in an inverted configuration on SpaceX;s Falcon 9 launch vehicle. As one of its four supporting elements, a Contamination Monitoring Package (CMP) mounted to the top panel of the Interface Adapter Module (IAM) box experiences high-frequency response due to structural coupling between the two structures during the SpaceX launch. These vibrations, which were initially observed in the IAM Engineering Development Unit (EDU) test and later verified through finite element analysis (FEA) for the SpaceX launch loads, may damage the internal electronic cards and the Thermoelectric Quartz Crystal Microbalance (TQCM) sensors mounted on the CMP. Three-dimensional (3D) vibration isolators were required to be inserted between the CMP and IAM interface in order to attenuate the high frequency vibrations without resulting in any major changes to the existing system. Wire rope isolators were proposed as the isolation system between the CMP and IAM due to the low impact to design. Most 3D isolation systems are designed for compression and roll, therefore little dynamic data was available for using wire rope isolators in an inverted or tension configuration. From the isolator FEA and test results, it is shown that by using the 3D wire rope isolators, the CMP high-frequency responses have been suppressed by several orders of magnitude over a wide excitation frequency range. Consequently, the TQCM sensor responses are well below their qualification environments. It is indicated that these high-frequency responses due to the typical instrument structural coupling can be significantly suppressed by a vibration passive control using the 3D vibration isolator. Thermal and contamination issues were also examined during the isolator selection period for meeting the SAGE III-ISS instrument requirements.

Li, Y.↗

Sulfur Lone Pairs Control Topology in Heterotrimetallic Complexes: An Experimental and Theoretical Study

Heterotrimetallic complexes with (N 2 S 2 )M metallodithiolates, M = Ni 2+ , [Fe(NO)] 2+ , and [Co(NO)] 2+ , as bidentate chelating ligands to a central trans-Cr(NO)(MeCN) unit were characterized as the first members of a new class, NiCrNi, FeCrFe, CoCrCo. The complexes exhibit a cisoid structural topology, ascribed to the stereoactivity of the available lone pair(s) on the sulfur donors, resulting in a dispersed, electropositive pocket from the N/N and N/S hydrocarbon linkers wherein the Cr-NO site is housed. Computational studies explored alternative isomers (transoid and inverted cisoid) that suggest a combination of electronic and steric effects govern the geometrical selectivity. Electrostatic potential maps readily display the dominant electronegative potential from the sulfurs which force the NO to the electropositive pocket. The available S lone pairs work in synergy with the π-withdrawing ability of NO to lift Cr out of the S 4 plane toward the NO and stabilize the geometry. The metallodithiolate ligands bound to Cr(NO) thus find structural consistency across the three congeners. Although the dinitrosyl [(bme-dach)Co(NO)-Mo(NO)(MeCN)-(bme-dach)Co(MeCN)][PF 6 ] 2 (CoMoCo') analogue displays chemical noninnocence and a partial Mo–Co bond toward (N 2 S 2 )Co'(NCCH 3 ) in an “asymmetric butterfly” topology, the stability of the {Cr(NO)} 5 unit prohibits such bond rearrangement. Magnetism and EPR studies illustrate spin coupling across the sulfur thiolate sulfur bridges.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Inverting a dispersive scene's side-scanned image

Consideration is given to the problem of using a remotely sensed, side-scanned image of a time-variant scene, which changes according to a dispersion relation, to estimate the structure at a given moment. Additive thermal noise is neglected in the models considered in the formal treatment. It is shown that the dispersion relation is normalized by the scanning velocity, as is the group scanning velocity component. An inversion operation is defined for noise-free images generated by SAR. The method is extended to the inversion of noisy imagery, and a formulation is defined for spectral density estimation. Finally, the methods for a radar system are used for the case of sonar.

Harger, R. O.↗

Diagrammatic state sums for 2D pin-minus TQFTs

The two dimensional state sum models of Barrett and Tavares are extended to unoriented spacetimes. The input to the construction is an algebraic structure dubbed half twist algebras, a class of examples of which is real separable superalgebras with a continuous parameter. The construction generates pin-minus TQFTs, including the root invertible theory with partition function the Arf-Brown-Kervaire invariant. Decomposability, the stacking law, and Morita invariance of the construction are discussed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗