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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Switching it up: New mechanisms revealed in wurtzite-type ferroelectrics

Wurtzite-type ferroelectrics have drawn increasing attention due to the promise of better performance and integration than traditional oxide ferroelectrics with semiconductors such as Si, SiC, and III-V compounds. However, wurtzite-type ferroelectrics generally require enormous electric fields, approaching breakdown, to reverse their polarization. The underlying switching mechanism(s), especially for multinary compounds and alloys, remains elusive. Here, we examine the switching behaviors in Al 1-x Sc x N alloys and wurtzite-type multinary candidate compounds we recently computationally identified. We find that switching in these tetrahedrally coordinated materials proceeds via a variety of nonpolar intermediate structures and that switching barriers are dominated by the more-electronegative cations. For Al 1-x Sc x N alloys, we find that the switching pathway changes from a collective mechanism to a lower-barrier mechanism enabled by inversion of individual tetrahedra with increased Sc composition. Our findings provide insights for future engineering and realization of wurtzite-type materials and open a door to understanding domain motion.

36 MATERIALS SCIENCE↗
NASA NTRS1979

Control networks for the Galilean satellites, November 1979

Pictures of the four Galilean satellites taken as the two Voyager spacecraft approached Jupiter during March and July 1979 are presented. Control nets of the Galilean satellites, computed photogrammetrically, and measurements of the mean radii are presented. The pictures in the control nets are identified, the coordinates of the control points are given, and identifications of some of the control points are shown on figures. The use of star field pictures to compute the focal lengths of the camera is discussed and the geometric relationship between the narrow and wide and angle cameras is reported. A description of the coordinate systems of the Galilean satellites is presented and the status of the control net computations is reported.

Davies, M. E.↗
DOE OSTI2020

A Simple Space Vector Modulation of High-Frequency AC Linked Three-Phase-to-Single-Phase/DC Converter

High frequency (HF) ac linked converter functions well to interface between buses with different voltage types. Using a three-phase-to-single-phase matrix converter, a single-phase cyclo converter, and a HF transformer, we can compose a HF ac linked converter to interface between three-phase ac grids and single-phase ac or dc distributed generations (DGs). In this paper, a novel space vector modulation (SVM) method is proposed for such kind of converter. The proposed SVM method converts the mains three-phase ac voltage to a HF ac voltage at the primary side of transformer, and then unfolds the HF ac voltage to a single-phase ac or dc voltage at the secondary side of transformer. Without need to compute separate switching signals for the primary and secondary converters and then coordinate their operations elaborately, the proposed SVM method can be easily implemented by incorporating the HF chopping into the SVM of traditional indirect matrix converter. Therefore, no complicated duty cycle computation or elaborate switching states combination is required. Simulation and hardware-in-loop implementation demonstrate the validity of the proposed method.

42 ENGINEERING↗
DOE OSTI2021

First-Principles Approach to Extracting Chemical Information from X-ray Absorption Near-Edge Spectra of Ga-Containing Materials

The X-ray absorption near-edge structure (XANES) can provide uniquely detailed information on the coordination environments of important Ga-containing materials with unknown structures, including catalytically active materials. In this work, the Ga K-edge XANES was simulated using first-principles-based methods for seven molecular Ga complexes as well β-Ga 2 O 3 , in order to explore the chemical origins of the experimentally observed features. The theoretical spectra were computed using FEFF, CASTEP, and StoBe, to assess the sensitivity of the results to the computational approach. While the XANES features depend on the Ga coordination environment, they are also sensitive to the electronegativity of the ligands and the symmetry at Ga. The white line position responds to changes in both the core state (due to differential screening) and the valence “p” states (arising from differences in ligand coordination).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2011

Performance Comparison of Wireless Sensor Network Standard Protocols in an Aerospace Environment: ISA100.11a and ZigBee

Wireless Sensor Networks (WSNs) can provide a substantial benefit in spacecraft systems, reducing launch weight and providing unprecedented flexibility by allowing instrumentation capabilities to grow and change over time. Achieving data transport reliability on par with that of wired systems, however, can prove extremely challenging in practice. Fortunately, much progress has been made in developing standard WSN radio protocols for applications from non-critical home automation to mission-critical industrial process control. The relative performances of candidate protocols must be compared in representative aerospace environments, however, to determine their suitability for spaceflight applications. In this paper, we will present the results of a rigorous laboratory analysis of the performance of two standards-based, low power, low data rate WSN protocols: ZigBee Pro and ISA100.11a. Both are based on IEEE 802.15.4 and augment that standard's specifications to build complete, multi-hop networking stacks. ZigBee Pro targets primarily the home and office automation markets, providing an ad-hoc protocol that is computationally lightweight and easy to implement in inexpensive system-on-a-chip components. As a result of this simplicity, however, ZigBee Pro can be susceptible to radio frequency (RF) interference. ISA100.11a, on the other hand, targets the industrial process control market, providing a robust, centrally-managed protocol capable of tolerating a significant amount of RF interference. To achieve these gains, a coordinated channel hopping mechanism is employed, which entails a greater computational complexity than ZigBee and requires more sophisticated and costly hardware. To guide future aerospace deployments, we must understand how well these standards relatively perform in analog environments under expected operating conditions. Specifically, we are interested in evaluating goodput -- application level throughput -- in a representative crewed environment in the presence of varying levels of 802.11g Wi-Fi traffic. To do so, we use the NASA Johnson Space Center Wireless Habitat Testbed (WHT), a metallic, habitation-sized module designed for co-existence testing of wireless systems. In its quiescent state, the sealed WHT provides an RF-quiet environment to which we can selectively add interfering systems; it also provides a realistic level of multi-path self-interference for systems under investigation. In our test, we deploy two representative five node networks, configured in a star topology with all nodes reporting directly to a WSN gateway. Each ZigBee network WSN node is built using a Texas Instruments (TI) CC2530 system-on-a-chip radio running TI's ZigBee Pro Z-stack. Each ISA100.11a network node is built using a Nivis VersaNode 210 system-on-a-chip radio. In both cases, radios interface with TI MSP430-F5438 microcontroller implementing a common test application. Interference is provided by a D-link 802.11g Wi-Fi router transporting traffic generated using the Iperf network testing tool. For the single-channel ZigBee network, effects of both direct and indirect Wi-Fi interference are evaluated. For the channel-hopping ISA100.11a network, effects of interference from multiple Wi-Fi routers configured in non-overlapping 802.11g channels are evaluated. Our results show that, in general, the more lightweight ZigBee network performs well at low interference levels, but performance degrades as interference increases. Conversely, the more complex and costly ISA100.11a network continues to perform well as Wi-Fi interference levels increase.

Wagner, Raymond S.↗
DOE OSTI2021

Low coordination number copper catalysts for electrochemical CO 2 methanation in a membrane electrode assembly

The electrochemical conversion of CO 2 to methane provides a means to store intermittent renewable electricity in the form of a carbon-neutral hydrocarbon fuel that benefits from an established global distribution network. The stability and selectivity of reported approaches reside below technoeconomic-related requirements. Membrane electrode assembly-based reactors offer a known path to stability; however, highly alkaline conditions on the cathode favour C-C coupling and multi-carbon products. In computational studies herein, we find that copper in a low coordination number favours methane even under highly alkaline conditions. Experimentally, we develop a carbon nanoparticle moderator strategy that confines a copper-complex catalyst when employed in a membrane electrode assembly. In-situ XAS measurements confirm that increased carbon nanoparticle loadings can reduce the metallic copper coordination number. At a copper coordination number of 4.2 we demonstrate a CO 2 -to-methane selectivity of 62%, a methane partial current density of 136 mA cm –2 , and > 110 hours of stable operation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Solvent reaction coordinate for an S N 2 reaction

We study the prototypical S N 2 reaction Cl – + CH 3 Cl → CH 3 Cl + Cl – in water using QM/MM computer simulations with transition path sampling and inertial likelihood maximization. We have identified a new solvent coordinate that improves upon the original atom-exchange coordinate used in the classic analysis by Chandrasekhar, Smith, and Jorgensen. The new solvent coordinate quantifies instantaneous solvent induced polarization relative to equilibrium charge density at each point along the reaction pathway. In this paper, we will present free energy surfaces, transmission coefficients, and committor tests associated with this collective coordinate.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1988

Compilation of methods in orbital mechanics and solar geometry

This paper contains a collection of computational algorithms for determining geocentric ephemerides of Earth satellites, useful for both mission planning and data reduction applications. Special emphasis is placed on the computation of sidereal time, and on the determination of the geocentric coordinate of the center of the Sun, all to the accuracy found in the Astronomical Almanac. The report is completely self-contained in that no requirement is placed on any external source of information, and hence, these methods are ideal for computer application.

Buglia, James J.↗
NASA NTRS1978

Numerical solution of the Navier-Stokes equations for arbitrary blunt bodies in supersonic flows

A time-dependent, two-dimensional Navier-Stokes code employing the body-fitted coordinate technique has been developed for supersonic flows past blunt bodies of arbitrary shape. The computer program is based on the finite-difference approximation of the compressible Navier-Stokes equations transformed to nonorthogonal curvilinear coordinates with the contravariant components of the velocity vector as dependent variables. The bow shock ahead of the body is obtained as part of the solution, by 'shock capturing'. Numerical solutions of the complete equations are presented in detail for free-stream Mach number 4.6, Reynolds number 10,000, and an isothermal wall temperature of 556 K for a circular cylinder with the free-stream outer boundaries forming a hyperbola in the front and a circular arc in the back.

Warsi, Z. U. A.↗
NASA NTRSDate not supplied

Sparse Linear Algebra Toolkit for Computational Aerodynamics

Finding solutions to sparse linear systems of equations is an essential step in Computational Engineering applications of interest to NASA. Linear systems of equations are composed and solved in almost every computational engineering application. The characteristics of linear systems vary greatly from one application to another. Accordingly, there are a wide variety of methods for the solution of linear systems of equations. The operations and methods prepared by the authors are focused on linear systems of interest to NASA, primarily those associated with Computational Fluid Dynamics (CFD), Aeroelasticity, and Aeroacoustics. The Sparse Linear Algebra Toolkit (SLAT) is a coordinated collection of software featuring operations, methods, and data structures that are useful when solving sparse linear systems of equations on modern computer architectures. The implemented operations and methods are designed and tuned for parallelism in shared memory, in distributed memory, and across the hybrid combination of distributed-shared memory. The toolkit includes novel methods and implementations for modern architectures and facilitates development of new approaches for meeting NASA’s evolving computational engineering challenges using evolving computer architectures that are not available in vendor libraries. In this paper, significant features and interfaces within SLAT are presented and verified for simulations performed with NASA’s CFD solver, FUN3D. The runtime and scaling performance of the Generalized Minimum Residual (GMRES) method implemented in SLAT is analyzed for the linear subproblems within the solution of turbulent Navier-Stokes equations employed in the simulation of high-lift configurations. Prior to this work, the SPARSKIT GMRES implementation was the only Krylov subspace method available within FUN3D. A strong scaling study shows the SLAT GMRES implementation facilitates accurate Reynolds-averaged Navier-Stokes CFD solutions between 15% and 56% faster than the SPARSKIT GMRES implementation.

Stephen L Wood↗
NASA NTRS2011

Ndarts

Ndarts software provides algorithms for computing quantities associated with the dynamics of articulated, rigid-link, multibody systems. It is designed as a general-purpose dynamics library that can be used for the modeling of robotic platforms, space vehicles, molecular dynamics, and other such applications. The architecture and algorithms in Ndarts are based on the Spatial Operator Algebra (SOA) theory for computational multibody and robot dynamics developed at JPL. It uses minimal, internal coordinate models. The algorithms are low-order, recursive scatter/ gather algorithms. In comparison with the earlier Darts++ software, this version has a more general and cleaner design needed to support a larger class of computational dynamics needs. It includes a frames infrastructure, allows algorithms to operate on subgraphs of the system, and implements lazy and deferred computation for better efficiency. Dynamics modeling modules such as Ndarts are core building blocks of control and simulation software for space, robotic, mechanism, bio-molecular, and material systems modeling.

Jain, Abhinandan↗
NASA NTRS1972

Development of a model of machine hand eye coordination and program specifications for a topological machine vision system

A unified approach to computer vision and manipulation is developed which is called choreographic vision. In the model, objects to be viewed by a projected robot in the Viking missions to Mars are seen as objects to be manipulated within choreographic contexts controlled by a multimoded remote, supervisory control system on Earth. A new theory of context relations is introduced as a basis for choreographic programming languages. A topological vision model is developed for recognizing objects by shape and contour. This model is integrated with a projected vision system consisting of a multiaperture image dissector TV camera and a ranging laser system. System program specifications integrate eye-hand coordination and topological vision functions and an aerospace multiprocessor implementation is described.

Source record↗
DOE OSTI2023

Estimating the Meridional Extent of Adiabatic Mixing in the Stratosphere Using Age-Of-Air

Wave-induced adiabatic mixing in the winter midlatitudes is one of the key processes impacting stratospheric transport. Understanding its strength and structure is vital to understanding the distribution of trace gases and their modulation under a changing climate. Age-of-air is often used to understand stratospheric transport, and this study proposes refinements to the vertical age gradient theory of Linz et al. (2021), https://doi.org/10.1029/2021JD035199. The theory assumes exchange of air between a well-mixed tropics and a well-mixed extratropics, separated by a transport barrier, quantifying the adiabatic mixing flux across the interface using age-based measures. These assumptions are re-evaluated and a refined framework that includes the effects of meridional tracer gradients is established to quantify the mixing flux. This is achieved, in part, by computing a circulation streamfunction in age-potential temperature coordinates to generate a complete distribution of parcel ages being mixed in the midlatitudes. The streamfunction quantifies the “true” age of parcels mixed between the tropics and the extratropics. Applying the revised theory to an idealized and a comprehensive climate model reveals that ignoring the meridional gradients in age leads to an underestimation of the wave-driven mixing flux. Stronger, and qualitatively similar fluxes are obtained in both models, especially in the lower-to-middle stratosphere. While the meridional span of adiabatic mixing in the two models exhibits some differences, they show that the deep tropical pipe, that is, latitudes equatorward of 15° barely mix with older midlatitude air. The novel age-potential temperature circulation can be used to quantify additional aspects of stratospheric transport.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

How novel is protactinium: Insights into the structure and properties of (PaO) 2 (SO 4 ) 3 (H 2 O) 2

Because of the scarcity of protactinium and the challenges associated with its separation and crystallization, even in sulfuric acid media where protactinium is relatively stable, there has been an incomplete understanding of the structural features of protactinium complexes. The characterization of protactinium sulfate complexes has been limited to those in solution, which have left key details unaddressed since the 1960s. This report describes a synthetic strategy to crystallize a protactinium complex using boric acid and sulfuric acid. Herein, the authors detail the results of hydrothermal synthesis and the single-crystal analysis of a novel protactinium sulfate complex, (PaO) 2 (SO 4 ) 3 (H 2 O) 2 . This work has elucidated structural features, providing groundwork for accurate computational analysis and clarifying previously unknown details on the coordination, denticity, and binding properties of protactinium sulfate complexes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1972

Auroral oval kinematics program

A computer program which determines the geographic location of the auroral oval for given universal time and level of geomagnetic activity was developed for use on the IBM 7094 computer. The program provides both printed output of geographic coordinates of auroral oval boundaries and polar plots of the auroral oval. In addition, there is available a time-integration option which indicates how long a given location is under the auroral oval during a specified period. A description is given of the program and its use.

Comfort, R. H.↗
NASA NTRS1974

Collection and processing of data from a phase-coherent meteor radar

An analysis of the measurement accuracy requirement of a high resolution meteor radar for observing short period, atmospheric waves is presented, and a system which satisfies the requirements is described. A medium scale, real time computer is programmed to perform all echo recognition and coordinate measurement functions. The measurement algorithms are exercised on noisy data generated by a program which simulates the hardware system, in order to find the effects of noise on the measurement accuracies.

Backof, C. A., Jr.↗
NASA NTRS1975

Reference systems and transformations

The verification accomplished to assure correct computation of the many geometrical relationships between the several coordinate systems and transformation matrices defined for the Saturn 1B mission was discussed. This is accomplished by demonstrating the following: (1) the program has the ability to correctly establish the initial vector coordinate system from external input data for use as a reference, (2) the program logic is capable of properly executing the calculations necessary to transform vectorial parameters from one coordinate system to another, and (3) the presettings used for vector component calculations are valid.

Source record↗