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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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Reaction Chemistry at Discrete Organometallic Fragments on Black Phosphorus

Abstract Black phosphorus (bP) is a two‐dimensional van der Waals material unique in its potential to serve as a support for single‐site catalysts due to its similarity to molecular phosphines, ligands quintessential in homogeneous catalysis. However, there is a scarcity of synthetic methods to install single metal centers on the bP lattice. Here, we demonstrate the functionalization of bP nanosheets with molecular Re and Mo complexes. A suite of characterization techniques, including infrared, X‐ray photoelectron and X‐ray absorption spectroscopy as well as scanning transmission electron microscopy corroborate that the functionalized nanosheets contain a high density of discrete metal centers directly bound to the bP surface. Moreover, the supported metal centers are chemically accessible and can undergo ligand exchange transformations without detaching from the surface. The steric and electronic properties of bP as a ligand are estimated with respect to molecular phosphines. Sterically, bP resembles tri(tolyl)phosphine when monodentate to a metal center, and bis(diphenylphosphino)propane when bidentate, whereas electronically bP is a σ‐donor as strong as a trialkyl phosphine. This work is foundational in elucidating the nature of black phosphorus as a ligand and underscores the viability of using bP as a basis for single‐site catalysts.

Chemistry↗
DOE OSTI2025

A 3D helical filament surrogate model for 3D tokamak equilibria

A novel approach for efficient representation of three-dimensional (3D) tokamak equilibria is investigated, where a set of helical current filaments occupying the plasma region are employed to resolve deviations from the two-dimensional (2D) axi-symmetric state. A discrete set of 3D filaments, located at rational surfaces for a given toroidal mode number n and following the 2D equilibrium field lines (thus forming closed current loops), are found to provide a surrogate model of 3D equilibria with reasonable accuracy. Specifically, application of the filament model to 3D perturbed equilibria, due to the resonant magnetic perturbation (RMP) in DIII-D and MAST-U discharges, reveals that (1) a single helical filament per rational surface is sufficient; (2) 21 such helical filaments are capable of representing the n = 2 3D response field in MAST-U with less than 10% relative error as compared to that computed by a full magnetohydrodynamic code; (3) optimizing currents (both amplitude and phase) flowing in 3D filaments with fixed geometry, the highest accuracy fitting is found to depend on the characteristics of the 3D equilibria such as the coil current phasing of the RMP coils in our case studies. Here, whis filament approach is also applicable for generating surrogate models of other type of 3D tokamak equilibria, including those during the initial phase of the plasma disruption.

MARS-F↗
NASA NTRS1977

Characterization of lunar mare basalt types. II - Spectral classification of fresh mare craters

Telescopic reflectance spectra (0.3-1.1 microns) of fresh craters are presented and classified according to the spectral features observed. These spectra are the closest lunar surface analog to laboratory spectra obtained for lunar rock powders. Mineral absorption features can be identified in these crater spectra and interpreted using returned lunar samples. Spectra of craters to 2.5 microns are required for specific mineralogical determinations from remote observation. If the currently available telescopic spectra are representative, classification of lunar telescopic spectra indicates that most (more than 80%) of the lunar surface is composed of a finite number of discrete and describable geochemical units.

Pieters, C.↗
NASA NTRS1984

An urnful of blinding functions

There is a fundamental connection between the mathematical theory of discrete probability distributions and the parametric curves and surfaces of computer-aided geometric design. It is no accident that the blending functions of Bezier curves and surfaces have an obvious probabilistic interpretation, nor is it a coincidence that the normalized uniform B-spline basis functions also model a simple stochastic process. The link between probability and geometry, and how to exploit simple probabilistic arguments to derive many of the classical geometric properties of the parametric curves and surfaces currently in vogue in computer-aided geometric design is discussed. This probabilistic approach is also used to introduce many new types of curves and surfaces, and it is demonstrated how probability theory can be used to simplify, unify, and generalize many well-known results.

Goldman, R. N.↗
NASA NTRS1984

Potential application of artificial concepts to aerodynamic simulation

The concept of artificial intelligence as it applies to computational fluid dynamics simulation is investigated. How expert systems can be adapted to speed the numerical aerodynamic simulation process is also examined. A proposed expert grid generation system is briefly described which, given flow parameters, configuration geometry, and simulation constraints, uses knowledge about the discretization process to determine grid point coordinates, computational surface information, and zonal interface parameters.

Kutler, P.↗
NASA NTRS1984

Development of electrodes for the NASA iron/chromium

This program was directed primarily to the development of the negative (Cr3+/Cr2+) electrode for the NASA chromous/ferric Redox battery. The investigation of the effects of substrate processing and gold/lead catalyzation parameters on electrochemical performance were continued. In addition, the effects of reactant cross-mixing, acidity level, and temperature were examined for both Redox couples. Finally, the performance of optimized electrodes was tested in system hardware (1/3 square foot single cell). The major findings are discussed: (1) The recommended processing temperature for the carbon felt, as a substrate for the negative electrode, is 1650 to 1750 C, (2) The recommended gold catalyzation procedure is essentially the published NASA procedure (NASA TM-82724, Nov. 1981) based on deposition from aqueous methanol solution, with the imposition of a few controls such as temperature (25 C) and precatalyzation pH of the felt (7), (3) Experimental observations of the gold catalyzation process and subsequent electron microscopy indicate that the gold is deposited from the colloidal state, induced by contact of the solution with the carbon felt, (4) Electrodeposited lead appears to be present as a thin uniform layer over the entire surface of the carbon fibers, rather than an discrete particles, and (5) Cross-mixing of reactants (Fe-2+ in negative electrode solution or Cr-3+ in the positive electrode solution) did not appear to produce significant interference at either electrode.

Swette, L.↗
NASA NTRS1992

Compositional analysis of projectile residues on LDEF instrument AO187-1

Impact craters greater than 30 microns and associated projectile residues were analyzed by Scanning Electron Microscopy (SEM) and Energy Dispersive X-ray Analysis (EDXA). Objectives were to analyze a statistically significant number of projectiles to evaluate their chemical variability and possible clustering into discrete particle types. Bay A11 exposed six collector surfaces of anodized 1100-T4 (greater than 99 percent pure) aluminum sheets, 0.32 cm thick, yielding an exposed surface area of 1.1 sq. m. Four of the six panels have been retained at JSC, and were optically scanned, one (A11E00E) was prepared for SEM/EDX analysis. Bay A03 was occupied by high purity (99.99 percent) gold sheets, 0.5 mm thick, yielding an exposed surface area of 0.85 sq. m. Sample processing included the optical scanning (6X), labeling, and dislodging (by a punch-die device) of each individual impact greater than 75 microns for the aluminum and 30 microns for the gold. The 209 craters were dislodged form A11E00E, having crater diameters up to 3500 microns. Optical examination of the gold surfaces detected 238 craters, 198 of which were retained at JSC and analyzed via SEM/EDX. The analytical procedures included maximizing the geometric efficiency (take-off angles), using relatively long count times (500-1000 sec) and sufficiently high accelerating currents (25-30Kev). Despite diligent examination, a large number of craters did not exhibit measurable signals above background. Detectable resides were classified as either micrometeoritic or as man-made debris.

Bernhard, Ronald P.↗
NASA NTRS2000

SmaggIce User Guide

SmaggIce (Surface Modeling And Grid Generation for Iced Airfoils) is one of NASNs aircraft icing research codes developed at the Glenn Research Center. It is a software toolkit used in the process of aerodynamic performance prediction of iced airfoils. It includes tools which complement the 2D grid-based Computational Fluid Dynamics (CFD) process: geometry probing; surface preparation for gridding: smoothing and re-discretization of geometry. Future releases will also include support for all aspects of gridding: domain decomposition; perimeter discretization; grid generation and modification.

Baez, Marivell↗
NASA NTRS1998

Analytical and Experimental Characterization of a Linear-Array Thermopile Scanning Radiometer for Geo-Synchronous Earth Radiation Budget Applications

The Thermal Radiation Group, a laboratory in the department of Mechanical Engineering at Virginia Polytechnic Institute and State University, is currently working towards the development of a new technology for cavity-based radiometers. The radiometer consists of a 256-element linear-array thermopile detector mounted on the wall of a mirrored wedgeshaped cavity. The objective of this research is to provide analytical and experimental characterization of the proposed radiometer. A dynamic end-to-end opto-electrothermal model is developed to simulate the performance of the radiometer. Experimental results for prototype thermopile detectors are included. Also presented is the concept of the discrete Green's function to characterize the optical scattering of radiant energy in the cavity, along with a data-processing algorithm to correct for the scattering. Finally, a parametric study of the sensitivity of the discrete Green's function to uncertainties in the surface properties of the cavity is presented.

Sorensen, Ira J.↗
NASA NTRS2003

Electromagnetic Scattering From a Polygonal Thin Metallic Plate Using Quadrilateral Meshing

The problem of electromagnetic (EM) scattering from irregularly shaped, thin, metallic flat plates in free space is solved using the electric field integral equation (EFIE) approach in conjunction with the method of moments (MoM) with quadrilateral meshing. An irregularly shaped thin plate is discretized into quadrilateral patches and the unknown electric surface current over the plate is expressed in terms of proper basis functions over these patches. The basis functions for the electric surface current density that satisfy the proper boundary conditions on these quadrilateral patches are derived. The unknown surface current density on these quadrilateral patches is determined by setting up and solving the electric field integral equation by the application of the MoM. From the knowledge of the surface current density, the EM scattering from various irregularly shaped plates is determined and compared with the earlier published results. The novelty in the present approach is the use of quadrilateral patches instead of well known and often used triangular patches. The numerical results obtained using the quadrilateral patches compare favorably with measured results.

Deshpande, Manohar D.↗
NASA NTRS2008

Ground Facility for Vicarious Calibration of Skyborne Sensors

An automated ground facility, for vicarious radiometric calibration of airborne and spaceborne sensors of visible and infrared light has been established. In the term "vicarious calibration," "vicarious" is used in the sense of "in place of another," signifying "in place of laboratory calibration." Vicarious calibration involves the use of ground truth in the form of measurements by ground-viewing radiometers, a Sun-viewing photometer, and meteorological instruments positioned in a ground target area. The instrumentation at the facility includes a light-emitting-diode spectrometer (LSpec), which consists of eight tripod-mounted, ground-viewing radiometer units containing LEDs biased to operate as photodetectors (instead of light emitters) at their respective wavelengths. The LSpec provides an essentially continuous stream of measurements at eight discrete wavelengths. These are merged with spectral surface-reflectance measurements made on occasional site visits to obtain temporally continuous coverage with high spectral resolution.

Bruegge, Carol↗
NASA NTRS2011

Ice Shape Characterization Using Self-Organizing Maps

A method for characterizing ice shapes using a self-organizing map (SOM) technique is presented. Self-organizing maps are neural-network techniques for representing noisy, multi-dimensional data aligned along a lower-dimensional and possibly nonlinear manifold. For a large set of noisy data, each element of a finite set of codebook vectors is iteratively moved in the direction of the data closest to the winner codebook vector. Through successive iterations, the codebook vectors begin to align with the trends of the higher-dimensional data. In information processing, the intent of SOM methods is to transmit the codebook vectors, which contains far fewer elements and requires much less memory or bandwidth, than the original noisy data set. When applied to airfoil ice accretion shapes, the properties of the codebook vectors and the statistical nature of the SOM methods allows for a quantitative comparison of experimentally measured mean or average ice shapes to ice shapes predicted using computer codes such as LEWICE. The nature of the codebook vectors also enables grid generation and surface roughness descriptions for use with the discrete-element roughness approach. In the present study, SOM characterizations are applied to a rime ice shape, a glaze ice shape at an angle of attack, a bi-modal glaze ice shape, and a multi-horn glaze ice shape. Improvements and future explorations will be discussed.

McClain, Stephen T.↗
NASA NTRS2013

Spectrally Consistent Scattering, Absorption, and Polarization Properties of Atmospheric Ice Crystals at Wavelengths from 0.2 to 100 um

A data library is developed containing the scattering, absorption, and polarization properties of ice particles in the spectral range from 0.2 to 100 microns. The properties are computed based on a combination of the Amsterdam discrete dipole approximation (ADDA), the T-matrix method, and the improved geometric optics method (IGOM). The electromagnetic edge effect is incorporated into the extinction and absorption efficiencies computed from the IGOM. A full set of single-scattering properties is provided by considering three-dimensional random orientations for 11 ice crystal habits: droxtals, prolate spheroids, oblate spheroids, solid and hollow columns, compact aggregates composed of eight solid columns, hexagonal plates, small spatial aggregates composed of 5 plates, large spatial aggregates composed of 10 plates, and solid and hollow bullet rosettes. The maximum dimension of each habit ranges from 2 to 10,000 microns in 189 discrete sizes. For each ice crystal habit, three surface roughness conditions (i.e., smooth, moderately roughened, and severely roughened) are considered to account for the surface texture of large particles in the IGOM applicable domain. The data library contains the extinction efficiency, single-scattering albedo, asymmetry parameter, six independent nonzero elements of the phase matrix (P11, P12, P22, P33, P43, and P44), particle projected area, and particle volume to provide the basic single-scattering properties for remote sensing applications and radiative transfer simulations involving ice clouds. Furthermore, a comparison of satellite observations and theoretical simulations for the polarization characteristics of ice clouds demonstrates that ice cloud optical models assuming severely roughened ice crystals significantly outperform their counterparts assuming smooth ice crystals.

Optical properties↗
NASA NTRS2016

Multi-Frequency Investigation into Scattering from Vegetation over the Growth Cycle

In this investigation, we aim to collect and use time-series multi-frequency microwave data over winter wheat during entire growth cycle to characterize vegetation dynamics and to quantify its effects on soil moisture retrievals. We plan to incorporate C-band radar and VHF receiver within the existing L-band radarradiometer system called ComRAD (SMAPs ground based simulator). With C-bands ability to sense vegetation details and VHFs root-zone soil moisture within ComRADs footprint, we will be able to test our discrete scatterer vegetation models and parameters at various surface conditions. The purpose of this study is to determine optical depth and effective scattering albedo of vegetation of a given type (i.e. winter wheat) at various stages of growth that are need to refine soil moisture retrieval algorithms being developed for the SMAP mission.

Lang, R. H.↗
NASA NTRSDate not supplied

A Framework for Mesh-Geometry Associativity during Mesh Adaptation

A framework has been developed for describing how a computational mesh is associated to the geometry model it discretizes. The target application of this framework is surface mesh adaptation in a CFD flow solver. The framework, called MeshLink, consists of two components. First, a schema has been defined for describing the one-to-many associativity of a surface mesh to the geometry model entities to which it is attached. Second, a high-level library provides a kernel-agnostic wrapper for providing the necessary geometry queries to an application (e.g., mesher, flow solver). Both the schema and library are provided freely and openly. MeshLink’s ability to support solution mesh adaptation on linear and curved meshes for a high-order flow solution is demonstrated on several test cases relevant to the aerospace and automotive industries.

mesh adaptation↗
DOE OSTI2020

Threadsafe Dynamic Neighbor Lists for Monte Carlo Ray Tracing

Monte Carlo (MC) transport codes offer high-fidelity modeling of particle transport physics, but their high computational cost makes them impractical for many applications. For some applications such as multiphysics and depletion that use finely discretized geometries, a large portion of this computational cost is attributable to ray tracing. Neighbor lists are a well-known method for accelerating ray-tracing calculations in a MC code, but despite their prevalence, little work has been published on the details of their implementation. The fine details can have a significant impact on performance, particularly when using shared-memory parallelism. This paper addresses these details of implementation with a discussion of different neighbor list schemes and their impact on software runtime. Performance tests were run by using OpenMC on a pin-cell problem discretized with up to 200 axial regions. The results demonstrate that switching from surface-based to cell-based neighbor lists leads to a 10 faster calculation rate for the most fine discretization. Finally, using a threadsafe shared-memory data structure results in a 20% faster calculation rate versus simple threadprivate neighbor lists. Results here show that a data structure that is contiguous in memory improves performance by only 1% to 2% over noncontiguous linked lists.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1979

Assessment of shuttle payloads gaseous environment contamination and its control

A prediction is given of the in-orbit gaseous environment and the contamination it could produce on cryogenic and room temperature surfaces of payloads in the shuttle bay. The time varying environment was obtained by the superposition of the calculated shuttle environment for a discrete time and payload induced environments measured in large space chambers. Representative contaminant surface accretions were calculated for flights 1 week and 1 month long for payloads having the largest source of outgassing and an orbit of 200 km. A number of calculations were based on the magnitude of the sources, the molecular natures, the decay rate with time, the sticking coefficients, the view factors, and the temperatures of the surfaces being contaminated. Significant results are reported.

Scialdone, J. J.↗