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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,639 records · Page 91
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

The Influence of Water Vapor on the Electrochemical Shift of an Ionic Liquid Measured by Ambient Pressure X-ray Photoelectron Spectroscopy

Ionic liquids (ILs) are considered to be one of the steppingstones to fabricate next generation electrochemical devices given their unique physical and chemical properties. The addition of water to ILs significantly impact electrochemical related properties including viscosity, density, conductivity, and electrochemical window. Here, we utilize ambient pressure X-ray photoelectron spectroscopy (APXPS) to examine the impact of water on values of the electrochemical shift (S), which is determined by measuring changes in binding energy shifts as a function of an external bias. APXPS spectra of C 1s, O 1s and N 1s regions are examined for the IL 1-butyl-3-methylimidazolium acetate, [C 4 mim][OAc], at the IL/gas interface as a function of both water vapor pressure and external bias. Results reveal that in the absence of water vapor there is an IL ohmic drop between the working electrode and quasi reference electrode, giving rise to chemical specific S values of less than one. Upon introducing water vapor, S values approach one as a function of increasing water vapor pressure, indicating a decrease in the IL ohmic drop as the IL/water mixture becomes more conductive and the potential drop is driven by the electric double layer at the electrode/IL interface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

A heterogeneous iridium single-atom-site catalyst for highly regioselective carbenoid O–H bond insertion

Transition-metal-catalysed carbenoid insertion of hydroxyl groups represents a robust and versatile method to forge C–O bonds. Achieving site-selective functionalization of alcohols using this transformation has undoubted synthetic value but remains challenging. Here we report a strategy for selective carbenoid O–H insertion that exploits an engineered heterogeneous iridium single-atom catalyst, thus providing opportunities for organic transformations by merging material science and catalysis. This catalytic protocol delivers excellent selectivities (up to 99:1) for the functionalization of aliphatic over phenolic O–H bonds, whereas the analogous homogeneous catalyst, Ir(ttp)COCl (ttp = 5,10,15,20-tetra-p-tolylporphyrinato), provided modest preferences. Density-functional-theory calculations suggest that the site-selectivity derives from the lower oxidation state of the iridium metal centre in the heterogeneous catalyst and its impact on the absorption energies of the reactants. These results showcase an example of a heterogeneous single-atom catalyst providing superior site-selectivity and provide a complementary strategy to address challenges in catalysis for organic synthesis. [Figure not available: see fulltext.]

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1999

Advanced Life Support System Value Metric

The NASA Advanced Life Support (ALS) Program is required to provide a performance metric to measure its progress in system development. Extensive discussions within the ALS program have led to the following approach. The Equivalent System Mass (ESM) metric has been traditionally used and provides a good summary of the weight, size, and power cost factors of space life support equipment. But ESM assumes that all the systems being traded off exactly meet a fixed performance requirement, so that the value and benefit (readiness, performance, safety, etc.) of all the different systems designs are considered to be exactly equal. This is too simplistic. Actual system design concepts are selected using many cost and benefit factors and the system specification is defined after many trade-offs. The ALS program needs a multi-parameter metric including both the ESM and a System Value Metric (SVM). The SVM would include safety, maintainability, reliability, performance, use of cross cutting technology, and commercialization potential. Another major factor in system selection is technology readiness level (TRL), a familiar metric in ALS. The overall ALS system metric that is suggested is a benefit/cost ratio, SVM/[ESM + function (TRL)], with appropriate weighting and scaling. The total value is given by SVM. Cost is represented by higher ESM and lower TRL. The paper provides a detailed description and example application of a suggested System Value Metric and an overall ALS system metric.

Jones, Harry W.↗
DOE OSTI2022

Calibration, modeling, parameterization, and verification of the instrument transfer function of an interferometric microscope

Interferometric microscopes are used to measure surface roughness, from which the computed power spectral density function can be used to extract bandwidth-limited values of the various surface properties, such as root-mean-square (rms) height and slope errors. Measurements with a microscope equipped with different objectives that have an overlapping spatial frequency range usually give different rms results over the common frequency bandwidth. This is a result of different instrument transfer functions (ITFs) that attenuate spatial frequencies by different amounts over the overlapping range. We report on the use of binary pseudo-random array (BPRA) standards to characterize the ITF of an interferometric microscope with the various objectives. We use a simple model of a 1D binary Results show that the spectrum for an undersampled array is a cosine function, rather than a straight line, constant white noise spectrum. We have an analytical model of the ITF that includes the effects of an obscured aperture and defocus, in addition to the usual parameters of numerical aperture, wavelength, and sampling period. In addition, the model includes the effect of aliasing of spatial frequency components beyond the Nyquist back into the sub-Nyquist region. We compare the model PSD predictions to the measurements performed with different objectives. Departures of the measured PSDs from the model predictions indicate that there are higher-order ITF corrections yet to be identified and included in the model.

Takacs, PZ↗
DOE OSTI2017

Statistics of Point Vortex Turbulence in Non-neutral Flows and in Flows with Translational and Rotational Symmetries

A theory (Esler and Ashbee in J Fluid Mech 779:275–308, 2015) describing the statistics of N freely-evolving point vortices in a bounded two-dimensional domain is extended. First, the case of a non-neutral vortex gas is addressed, and it is shown that the density of states function can be identified with the probability density function of an infinite sum of independent non-central chi-squared random variables, the details of which depend only on the shape of the domain. Equations for the equilibrium energy spectrum and other statistical quantities follow, the validity of which are verified against direct numerical simulations of the equations of motion. Second, domains with additional conserved quantities associated with a symmetry (e.g., circle, periodic channel) are investigated, and it is shown that the treatment of the non-neutral case can be modified to account for the additional constraint.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1972

Zeeman effect of P II.

An investigation was conducted of the Zeeman effect of PII because it provides unique J-value assignments together with a sensitive check on the accuracy of wave functions obtained from least-squares fitting of energy levels. About forty new lines were added to the spectrum, and g values were obtained for 76 levels of PII. By incorporating this new experimental material in a systematic program of least-squares calculations, supplemented by ab initio calculations, it was possible to complete the description of the 3p5p and 3p5d configurations.

Li, H.↗
NASA NTRS1992

Optical Correlator With Complex Holographic Filter

Experimental real-time optical correlator includes complex-valued holographic filter computed from one of two input scenes. Made more tolerant of errors in patterns to be recognized. Filter function essentially coded hologram computed by Burchhardt's method, in which complex value of each pixel of fast Fourier transform of image represented by three real, nonnegative numbers. In generating optical correlator according to method, phasor of each pixel in Fourier transform represented by intensities in three adjacent pixels.

Chao, Tien-Hsin↗
NASA NTRS2023

Quantification of Global Cloud Properties with Use of Spherical Harmonic Functions

Spherical harmonic (SH) expansion is a useful tool to study any variable that has valid values at all latitudes and longitudes. The variable can be quantified as a sum of different spherical harmonic components, which are the spherical harmonic functions multiplied by their expansion coefficients. We find that the SH components of cloud radiative effect (CRE) have correlations with El Niño-Southern Oscillation (ENSO) and the Hadley Circulation (HC). In particular, the expansion degree 2 (l = 2) SH power spectrum component anomaly of CRE is strongly correlated with ENSO. The two dipole patterns appearing in the l = 2 SH component anomaly map can be reasonably explained by a known mechanism of ENSO’s impact on cloud properties. The l = 3 and l = 5 SH power spectrum components are correlated with HC intensity, whereas the l = 6 and l = 8 components are correlated with HC latitudinal widths. In ENSO warm and cold phases, the HC-correlated SH components have opposite anomalies, which suggests the impact of ENSO on HC. This study illustrates that the SH expansion technique provides a different perspective to study the impacts of large-scale atmospheric circulation on global cloud properties and radiative effects.

clouds↗
NASA NTRS1987

Computation and analyses of averaged monthly zonal albedos at the top of the atmosphere using Nimbus-7 ERB observed data

The Nimbus-7 ERB experiment measures the Earth's albedo from a satellite in a fixed Sun synchronous orbit. The data is obtained at a fixed time of the day for each latitude observed. For Earth Radiation Budget studies it is normally assumed that the observed scene is invariant during the day and that the albedo varies only with the solar zenith angle. This paper presents a technique for computing mean zonal albedos as a function of the albedo (A sub s) of cloud free atmosphere, the albedo (A sub c) of cloudy atmosphere and of the cloud fractions. The values of A sub s and A sub c are obtained from radiation transfer theory and climatological values of the surface and cloud albedos. The albedos are a function of the solar zenith angle, latitude and solar declination. The cloud fractions are measured from the Nimbus-7 ERB albedos. The present study shows the importance of taking into account latitude variations in surface types and in cloud cover.

Dhuria, Harbans↗
NASA NTRS1986

Toughening of BIS maleimide resins: Synthesis and characterization of maleimide terminated poly(arylene ether) oligomers and polymers

Amine functional poly(arylene ether) sulfones were previously reported. Herein, the chemistry was extended to amorphous poly(arylene ether) ketones because of their higher fracture toughness values, relative to the polysulfones. It was demonstrated that the amino functional oligomers undergo a self-crosslinking reaction at temperatures above about 220 C. This produces an insoluble, but ductile network that has excellent resistance. A ketamine structure hypothesis was proposed and verified using solid state magic angle NMR. In most cases, the water generated upon ketamine formation is too low to produce porosity and solid networks are obtained. The stability of the ketamine networks towards hydrolysis is excellent. The chemistry was further demonstrated to be able to crosslink preformed nonfunctional poly(arylene ether) ketones if a difunctional amine was utilized. This concept has the possibility of greatly improving the creep resistance of thermoplastics. Also, a new technique was developed for converting the amine functional oligomers cleanly into maleimide structures. This method involves reacting maleic anhydride with monomeric aminophenols in the presence of solvent mixtures.

Mcgrath, J. E.↗
NASA NTRS2013

Arctic Tundra Vegetation Functional Types Based on Photosynthetic Physiology and Optical Properties

Non-vascular plants (lichens and mosses) are significant components of tundra landscapes and may respond to climate change differently from vascular plants affecting ecosystem carbon balance. Remote sensing provides critical tools for monitoring plant cover types, as optical signals provide a way to scale from plot measurements to regional estimates of biophysical properties, for which spatial-temporal patterns may be analyzed. Gas exchange measurements were collected for pure patches of key vegetation functional types (lichens, mosses, and vascular plants) in sedge tundra at Barrow, AK. These functional types were found to have three significantly different values of light use efficiency (LUE) with values of 0.013 plus or minus 0.0002, 0.0018 plus or minus 0.0002, and 0.0012 plus or minus 0.0001 mol C mol (exp -1) absorbed quanta for vascular plants, mosses and lichens, respectively. Discriminant analysis of the spectra reflectance of these patches identified five spectral bands that separated each of these vegetation functional types as well as nongreen material (bare soil, standing water, and dead leaves). These results were tested along a 100 m transect where midsummer spectral reflectance and vegetation coverage were measured at one meter intervals. Along the transect, area-averaged canopy LUE estimated from coverage fractions of the three functional types varied widely, even over short distances. The patch-level statistical discriminant functions applied to in situ hyperspectral reflectance data collected along the transect successfully unmixed cover fractions of the vegetation functional types. The unmixing functions, developed from the transect data, were applied to 30 m spatial resolution Earth Observing-1 Hyperion imaging spectrometer data to examine variability in distribution of the vegetation functional types for an area near Barrow, AK. Spatial variability of LUE was derived from the observed functional type distributions. Across this landscape, a fivefold variation in tundra LUE was observed. LUE calculated from the functional type cover fractions was also correlated to a spectral vegetation index developed to detect vegetation chlorophyll content. The concurrence of these alternate methods suggest that hyperspectral remote sensing can distinguish functionally distinct vegetation types and can be used to develop regional estimates of photosynthetic LUE in tundra landscapes.

VEGETATION↗
DOE OSTI2017

Variational Calculation of the Ground State of Closed-Shell Nuclei Up to $A$ = 40

Variational calculations of ground-state properties of 4He, 16O and 40Ca are carried out employing realistic phenomenological two- and three-nucleon potentials. The trial wave function includes twoand three-body correlations acting on a product of single-particle determinants. Expectation values are evaluated with a cluster expansion for the spin-isospin dependent correlations considering up to five-body cluster terms. The optimal wave function is obtained by minimizing the energy expectation value over a set of up to 20 parameters by means of a nonlinear optimization library. We present results for the binding energy, charge radius, point density, single-nucleon momentum distribution, charge form factor, and Coulomb sum rule. We find that the employed three-nucleon interaction becomes repulsive for A ≥ 16. In 16O the inclusion of such a force provides a better description of the properties of the nucleus. In 40Ca instead, the repulsive behavior of the three-body interaction fails to reproduce experimental data for the charge radius and the charge form factor. We find that the high-momentum region of the momentum distributions, determined by the short-range terms of nuclear correlations, exhibit a universal behavior independent of the particular nucleus. The comparison of the Coulomb sum rules for 4He, 16O, and 40Ca reported in this work will help elucidate in-medium modifications of the nucleon form factors.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2017

Efficient block preconditioned eigensolvers for linear response time-dependent density functional theory

We present two efficient iterative algorithms for solving the linear response eigen- value problem arising from the time dependent density functional theory. Although the matrix to be diagonalized is nonsymmetric, it has a special structure that can be exploited to save both memory and floating point operations. In particular, the nonsymmetric eigenvalue problem can be transformed into a product eigenvalue problem that is self-adjoint with respect to a K-inner product. This product eigenvalue problem can be solved efficiently by a modified Davidson algorithm and a modified locally optimal block preconditioned conjugate gradient (LOBPCG) algorithm that make use of the K-inner product. The solution of the product eigenvalue problem yields one component of the eigenvector associated with the original eigenvalue problem. However, the other component of the eigenvector can be easily recovered in a postprocessing procedure. Therefore, the algorithms we present here are more efficient than existing algorithms that try to approximate both components of the eigenvectors simultaneously. The efficiency of the new algorithms is demonstrated by numerical examples.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Real-space pseudopotential method for computing the vibrational Stark effect

The vibrational Stark shift is an important effect in determining the electrostatic environment for molecular or condensed matter systems. However, accurate ab initio calculations of the vibrational Stark effect are a technically demanding challenge. In this paper, we make use of density functional theory constructed on a real-space grid to expedite the computation of this effect. Our format is especially advantageous for the investigation of small molecules in finite fields as cluster boundary conditions eliminate spurious supercell interactions and allow for charged systems, while convergence is controlled by a single parameter, the grid spacing. The Stark tuning rate is highly sensitive to the interaction between anharmonicity in a vibrational mode and the applied field. To ensure this subtle interaction is fully captured, we apply three parallel approaches: a direct finite field, a perturbative method, and a molecular dynamics method. Finally, we illustrate this method by applying it to several small molecules containing C–O and C–N bonds and show that a consistent result can be obtained.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1991

Gripper for truss structure assembly

The CIRSSE two-finger gripper is designed to be used with a 6-axis wrist-mounted force-torque sensor as part of an experimental testbed for cooperative robotic manipulation. The gripper system consists of a dedicated controller and a pneumatic powered gripper that is servoed in position or grasping force. The gripper also has a between fingertip light beam sensor. The major features of this new design are: high grasping force to weight ratio (25::1) and compactness (14 cm base-fingertip, 0.8 kilograms); low cost dedicated slave controller; and simple host-controller communications protocol to minimize command interpretation delay. Shared software functions between the host and the controller processor permit the host to select servo mode, servo gain-parameter values, and calibration offsets. Hidden primitive self-test, calibration and servo confidence functions are included.

Kelley, Robert B.↗
NASA NTRS1988

Hypersonic turbulent wall boundary layer computations

The Baldwin-Lomax algebraic turbulence model was modified for hypersonic flow conditions. Two coefficients in the outer layer eddy viscosity model were determined as functions of Mach number and temperature ratio. By matching the solutions from the Baldwin-Lomax model to those from the Cebeci-Smith model for a flat plate at hypersonic speed, the new values of the coefficient were obtained. The results show that the values of C sub cp and C sub kleb are functions of both Mach number and wall temperature ratio. The C sub cp and C sub kleb variations with Mach number and wall temperature were used for the calculations of both a 4 deg wedge flow at Mach 18 and an axisymmetric Mach 20 nozzle flow. The Navier-Stokes equations with thin layer approximation were solved for the above hypersonic flow conditions and the results were compared with existing experimental data. The agreement between the numerical solutions and the existing experimental data were good. The modified Baldwin-Lomax model thus is useful in the computations of hypersonic flows.

Kim, S. C.↗
DOE OSTI2018

On the Theory of Anisotropic Flat Elasticity

For the Lamé system from the flat anisotropic theory of elasticity, we introduce generalized double-layer potentials in connection with the function-theory approach. These potentials are built both for the translation vector (the solution of the Lamé system) and for the adjoint vector functions describing the stress tensor. The integral representation of these solutions is obtained using the potentials. As a corollary, the first and the second boundary-value problems in various spaces (Hölder, Hardy, and the class of functions just continuous in a closed domain) are reduced to the equivalent system of the Fredholm boundary equations in corresponding spaces. Note that such an approach was developed in [19, 20] for common second-order elliptic systems with constant (higher-order only) coefficients. However, due to important applications, it makes sense to consider this approach in detail directly for the Lamé system. To illustrate these results, in the last two sections we consider the Dirichlet problem with piecewise-constant Lamé coefficients when contact conditions are given on the boundary between two media. This problem is reduced to the equivalent system of the Fredholm boundary equations. The smoothness of kernels of the obtained integral operators is investigated in detail depending on the smoothness of the boundary contours.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

A Tale of Two Catchments: Causality Analysis and Isotope Systematics Reveal Mountainous Watershed Traits That Regulate the Retention and Release of Nitrogen

Abstract Mountainous watersheds are characterized by variability in functional traits, including vegetation, topography, geology, and geomorphology, which determine nitrogen (N) retention, and release. Coal Creek and East River are two contrasting catchments within the Upper Colorado River Basin that differ markedly in total nitrate (NO 3 − ) export. The East River has a diverse vegetation cover, and sinuous floodplains, and is underlain by N‐rich marine shale. At 0.21 ± 0.14 kg ha −1 yr −1 , the East River exports ∼3.5 times more NO 3 − relative to the conifer‐dominated Coal Creek (0.06 ± 0.02 kg ha −1 yr −1 ). While this can partly be explained by the larger size of the East River, the distinct watershed traits of these two catchments imply different mechanisms controlling the aggregate N‐export signal. A causality analysis shows physical and biogenic processes were critical in determining NO 3 − export from the East River catchment. Stable isotope ratios of NO 3 − (δ 15 N NO3 and δ 18 O NO3 ) show the East River catchment is a strong hotspot for biogeochemical processing of NO 3 − at the hillslope soil‐saprolite. By contrast, the conifer‐dominated Coal Creek retained nearly all atmospherically deposited NO 3 − , and its export was controlled by catchment hydrological traits (i.e., snowmelt periods and water table depth). The conservative N‐cycle within Coal Creek is likely due to the abundance of conifer trees, and smaller riparian regions, retaining more NO 3 − overall and reduced processing prior to export. This study highlights the value of integrating isotope systematics to link watershed functional traits to mechanisms of watershed element retention and release.

54 ENVIRONMENTAL SCIENCES↗