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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 1,441 records · Page 80
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Deciphering the Mechanism of Base-Triggered Conversion of Ammonia to Molecular Nitrogen and Methylamine to Cyanide

Here we report an in-depth investigation into the ammonia oxidation mechanism by the catalyst [Ru III (tpy)(dmabpy)NH 3 ] 3 + ([Ru(NH 3 )] 3 + ). Stoichiometric reactions of [Ru(NH 3 )] 3 + were carried out with exogenous noncoordinating bases to trigger a proposed redox disproportionation reaction, which was followed using variable-temperature NMR spectroscopy. An intermediate species was identified as a dinitrogen-bridged complex using 15 N NMR and Raman spectroscopy on isotopically labeled complexes. This intermediate is proposed to derive from coupling of nitridyl species formed upon sequential redox disproportion reactions. Acetonitrile displaces the dinitrogen bridge to yield free N 2 . DFT calculations support this lower-energy pathway versus that previously reported for ammonia oxidation by the parent [Ru III (tpy)(bpy)NH 3 ] 3 + complex. These experimental and computational results are consistent with the interpretation of redox disproportionation involving sequential hydrogen atom transfer reactions by an amide/aminyl intermediate, [Ru(NH 2 ) – ] + $\Leftrightarrow$ [Ru(NH 2 ) • ] + , formed upon deprotonation of the parent complex. Control experiments employing a large excess of ammonia as a base indicate this new proposed lower-energy pathway contributes to the oxidation of ammonia to dinitrogen in conditions relevant to electrocatalysis. In addition, analogous methylamine complexes, [Ru(NH 2 CH 3 )] 2 + /3 + , were prepared to further test the proposed mechanism. Treating [Ru(NH 2 CH 3 )] 3 + with a base cleanly yields two products [Ru(NH 2 CH 3 )] 2 + and [Ru(CN)] + in an ~3:1 ratio, fully consistent with the proposed cascade of hydrogen atom transfer reactions by an intermediate.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Photoenzymatic Csp 3 –Csp 3 bond formation via enzyme-templated radical–radical coupling

Cross-couplings are essential reactions in modern chemical synthesis, enabling the rapid construction of complex molecules from simple precursors. Transition metal catalysts are prized for these transformations because their reactivity and selectivity can be tuned via judicious selection of the metal and ligand. Although enzymes offer analogous opportunities for tuning via protein engineering, their application to cross-coupling remains limited, as nature relies on alternative paradigms for building molecular complexity. Here, we report the cross-coupling of alkyl halides and benzylic carboxylic acids using an engineered flavin-dependent lactate monooxygenase—a photoenzyme. The enzyme achieves this feat by exploiting the redox versatility of the flavin cofactor. Stoichiometric experiments, ultrafast spectroscopy, and computational studies support a mechanism in which photoexcited flavin quinone initiates the reaction via oxidative decarboxylation to generate a benzylic radical. The resulting flavin semiquinone can reduce the alkyl halide to form a second organic radical within the protein active site, which rapidly engages in C(sp 3 )–C(sp 3 ) bond formation. A variant was engineered to control the stereochemical outcome of this radical–radical coupling event, highlighting the ability of the protein to alter the energetic barrier for a mechanistic step that is traditionally understood to be near barrierless. This work demonstrates that the scope for nonnative reaction mechanisms in biocatalysis far exceeds previously established bounds and has potential to solve a variety of reactivity challenges in cross-coupling chemistry.

biocatalysis↗
NASA NTRS1988

An improved V-Lambda solution of the matrix Riccati equation

The authors present an improved algorithm for computing the V-Lambda solution of the matrix Riccati equation. The improvement is in the reduction of the computational load, results from the orthogonality of the eigenvector matrix that has to be solved for. The orthogonality constraint reduces the number of independent parameters which define the matrix from n-squared to n (n - 1)/2. The authors show how to specify the parameters, how to solve for them and how to form from them the needed eigenvector matrix. In the search for suitable parameters, the analogy between the present problem and the problem of attitude determination is exploited, resulting in the choice of Rodrigues parameters.

Bar-Itzhack, Itzhack Y.↗
DOE OSTI2022

Outdoor Test Bed Performance of a Power Line Sensor Using a Real-Time Event Simulator

This report summarizes the design and application of an outdoor power line sensor testbed (OPLST) with a real-time simulator and power meter to compare a potential transformer (PT) and current transformer (CT) versus an advanced line-post sensor. The OPLST was created to validate advanced medium-voltage (20/34.5 kV) outdoor power line sensors used in electrical distribution systems. Electrical utilities have installed metering and relay-protection transformers like PTs and CTs for several decades. The PTs/CTs are iron core measurement transformers based on the electromagnetic induction principle and provide reliable data in normal grid operation. However, new outdoor power line sensors (OPLS) using other technologies like voltage divider, Rogowski coil and optical principles have become available and may have favorable performance and costs compared to PTs/CTs. Therefore, the importance of testing these technologies with the PT/CT, to compare the measured phase voltage/current at different power grid scenarios is crucial to understand the performance of these new OPLS. For this study a G&W Electric Model CVS-36-O power line sensor was chosen as the OPLS to test with voltage/current signals. An OPAL-RT Technologies Model OP4510 real-time simulator and Schweitzer Engineering Laboratories Model SEL-735 power meter were installed with the 20/34.5 kV OPLST to compare the measured transient events collected from an advanced OPLS and the PT/CT. This system is installed at the Distributed Energy Communications and Control (DECC) lab, Oak Ridge National Laboratory (ORNL). The simulator generated different power grid scenarios (electrical faults, capacitor bank operation, service restoration, etc.), and its analog-output signals were connected to the voltage/current amplifiers that feed the 20/34.5 kV aerial cable loop through the PT/CT devices. Additional PT/CT devices were also wired with the medium voltage aerial cable loop to measure the phase current/voltage signals and server as references. After each test, common format for transient data exchange (COMTRADE) files were collected from the SEL-735 power meter and used to compare the performance of the OPLS with the PT/CT. The behavior of analog signals, harmonic components, total harmonic distortion and crest factors were assessed and found favorable for the G&W sensor as compared to the reference PT/CT.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS1976

Payload specialist station study: Volume 2, part 3: Program analysis and planning for phase C/D

The controls and displays (C&D) required at the Orbiter aft-flight deck (AFD) and the core C&D required at the Payload Specialist Station (PSS) are identified in this document. The AFD C&D Concept consists of a multifunction display system (MFDS) and elements of multiuse mission support equipment (MMSE). The MFDS consists of two CRTs, a display electronics unit (DEU), and a keyboard. The MMSE consists of a manual pointing controller (MPC), five digit numeric displays, 10 character alphanumeric legends, event timers, analog meters, rotary and toggle switches. The MMSE may be hardwired to the experiment, or interface with a data bus at the PSS for signal processing. The MFDS has video capability, with alphanumeric and graphic overlay features, on one CRT and alphanumeric and graphic (tricolor) capability on a second CRT. The DEU will have the capability to communicate, via redundant data buses, with both the spacelab experiment and subsystem computers.

Source record↗
NASA NTRS1987

Optoelectronic analogs of self-programming neural nets - Architecture and methodologies for implementing fast stochastic learning by simulated annealing

Self-organization and learning is a distinctive feature of neural nets and processors that sets them apart from conventional approaches to signal processing. It leads to self-programmability which alleviates the problem of programming complexity in artificial neural nets. In this paper architectures for partitioning an optoelectronic analog of a neural net into distinct layers with prescribed interconnectivity pattern to enable stochastic learning by simulated annealing in the context of a Boltzmann machine are presented. Stochastic learning is of interest because of its relevance to the role of noise in biological neural nets. Practical considerations and methodologies for appreciably accelerating stochastic learning in such a multilayered net are described. These include the use of parallel optical computing of the global energy of the net, the use of fast nonvolatile programmable spatial light modulators to realize fast plasticity, optical generation of random number arrays, and an adaptive noisy thresholding scheme that also makes stochastic learning more biologically plausible. The findings reported predict optoelectronic chips that can be used in the realization of optical learning machines.

Farhat, Nabil H.↗
NASA NTRS1943

Theoretical Determination of Axial Fan Performance

The report presents a method for the computation of axial fan characteristics. The method is based on the assumption that the law of constancy of the circulation along the blade holds, approximately, for all fan conditions for which the blade elements operate at normal angles of attack (up to the stalling angles). Pressure head coefficient K(sub a) and power coefficient K(sub u) for the force components in the axial and tangential directions, respectively, and analogous to the lift and drag coefficients C(sub y) and C(sub x) are conveniently introduced.

Struve, E.↗
NASA NTRS2014

In-Service Monitoring of Steam Pipe Systems at High Temperatures

A system and method for monitoring the properties of a fluid, such as water, in a steam pipe without mechanically penetrating the wall of the pipe. The system uses a piezoelectric transducer to launch an ultrasonic probe signal into the pipe. Reflected ultrasonic signals are captured in a transducer, which can be the same transducer that launched the probe signal. The reflected signals are subjected to data processing, which can include filtering, amplification, analog-to-digital conversion and autocorrelation analysis. A result is extracted which is indicative of a property of the fluid, such as a height of the condensed fluid, a cavitation of the condensed fluid, and a surface perturbation of the condensed fluid. The result can be recorded, displayed, and/or transmitted to another location. One embodiment of the system has been constructed and tested based on a general purpose programmable computer using instructions recorded in machine-readable non-volatile memory.

Bar-Cohen, Yoseph↗
NASA NTRS2016

Apparatus for and Method of Monitoring Condensed Water in Steam Pipes at High Temperature

A system and method for monitoring the properties of a fluid, such as water, in a steam pipe without mechanically penetrating the wall of the pipe. The system uses a piezoelectric transducer to launch an ultrasonic probe signal into the pipe. Reflected ultrasonic signals are captured in a transducer, which can be the same transducer that launched the probe signal. The reflected signals are subjected to data processing, which can include filtering, amplification, analog-to-digital conversion and autocorrelation analysis. A result is extracted which is indicative of a property of the fluid, such as a height of the condensed fluid, a cavitation of the condensed fluid, and a surface perturbation of the condensed fluid. The result can be recorded, displayed, and/or transmitted to another location. One embodiment of the system has been constructed and tested based on a general purpose programmable computer using instructions recorded in machine-readable non-volatile memory.

Lih, Shyh-Shiuh↗
NASA NTRSDate not supplied

Inferring Collaboration Strategies and Usability from Remote Observations in a Spaceflight Analog Environment

Collecting usability and user evaluations of novel software in spaceflight analog missions is challenging. For one such analog mission, we collected audio recordings of crew members as they completed their assigned self-scheduling task using novel software. Conversation analysis provided insight about collaborative nature of task and potential new evaluation measures.

human computer interaction↗
DOE OSTI2022

A precision test of averaging in AdS/CFT

We reconsider the role of wormholes in the AdS/CFT correspondence. We focus on Euclidean wormholes that connect two asymptotically AdS or hyperbolic regions with $\mathbb{S}$ 1 × $\mathbb{S}$ d-1 boundary. There is no solution to Einstein’s equations of this sort, as the wormholes possess a modulus that runs to infinity. To find on-shell wormholes we must stabilize this modulus, which we can do by fixing the total energy on the two boundaries. Such a wormhole gives the saddle point approximation to a non-standard problem in quantum gravity, where we fix two asymptotic boundaries and constrain the common energy. Crucially the dual quantity does not factorize even when the bulk is dual to a single CFT, on account of the fixed energy constraint. From this quantity we extract a smeared version of the microcanonical spectral form factor. For a chaotic theory this quantity is self-averaging, i.e. well-approximated by averaging over energy windows, or over coupling constants. We go on to give a precision test involving the microcanonical spectral form factor where the two replicas have slightly different coupling constants. In chaotic theories this form factor is known to smoothly decay at a rate universally predicted in terms of one replica physics, provided that there is an average either over a window or over couplings. We compute the expected decay rate for holographic theories, and the form factor from a wormhole, and the two exactly agree for a wide range of two-derivative effective field theories in AdS. This gives a precision test of averaging in AdS/CFT. Our results interpret a number of confusing facts about wormholes and factorization in AdS and suggest that we should regard gravitational effective field theory as a mesoscopic description, analogous to semiclassical mesoscopic descriptions of quantum chaotic systems.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Effects of Dissolution Regimes on Flow Channelization and Solute Transport in 3D Fracture Networks: Insights From Graph‐Based Reactive Transport Modeling

We investigate how mineral dissolution reshapes flow pathways and solute transport in three‐dimensional discrete fracture networks using a computationally efficient graph‐based reactive transport model. The DFNs are inspired by field‐site observations of fractured carbonate and represent realistic connectivity and structural heterogeneity. Flow is simulated with the Reynolds equation, and dissolution follows first‐order kinetics with diffusive limitations captured through an effective mass‐transfer coefficient. By systematically varying two key dimensionless parameters, the effective Damköhler number (Da), governing reaction versus advection rates, and a transport parameter (Da), analogous to the Thiele modulus, distinct flow channelization regimes emerge: mildly channelized at low G, highly channelized at intermediate Da, and extreme wormhole formation at high Da and low G. Eulerian and Lagrangian analyses, including breakthrough curves, particle tortuosity, dispersivity, and flow channeling indicators quantitatively characterize the progression of dissolution‐driven network restructuring. Across all regimes, initial fracture heterogeneity persists. The results underscore how the interplay between this initial structure, advection, reaction, and diffusion critically shapes subsurface flow pathways, with implications for applications ranging from groundwater remediation to enhanced geothermal systems.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Electron Beam Irradiation for Water Treatment of Per- and Polyfluoroalkyl Substances (PFAS)

Per- and polyfluoroalkyl substances (PFAS) are widely used but are now considered a water contamination risk. Fermi National Accelerator Laboratory’s IARC group has demonstrated that passing water through electron beam radiation can destroy PFAS. This project aims to develop a process to scale the system for bulk water treatment. The key is efficient radiation usage, ensuring that all water receives only the minimum dose. Software was developed for this purpose, consisting of a computational fluid dynamics model (CFD) in COMSOL, which calculates particle trajectories through the radiation area. A MATLAB script integrates the radiation dose of these particles, and statistical analysis is performed to evaluate the radiation utilization efficiency. These models are validated with a flow test where colored dye is injected and optically tracked. Radiation dose is measured by testing under an e-beam to measure the degradation of a PFAS analog.

Mueller, Scott [Northern Illinois U.]↗
NASA NTRS1982

The numerical design of a spherical baroclinic experiment for Spacelab flights

The near-zero G environment of Spacelab is the basis of a true spherical experimental model of synoptic scale baroclinic atmospheric processes, using a radial dielectric body force analogous to gravity over a volume of liquid within two concentric spheres. The baroclinic motions are generated by corotating the spheres and imposing thermal boundary conditions, such that the liquid is subjected to a stable radial gradient and a latitudinal gradient. Owing to mathematical difficulties associated with the spherical geometry, quantitative design criteria can be acquired only by means of numerical models. The procedure adopted required the development of two computer codes based on the Navier-Stokes equations. The codes, of which the first calculates axisymmetric steady flow solutions and the second determines the growth or decay rates of linear wave perturbations with different wave numbers, are combined to generate marginal stability curves.

Fowlis, W. W.↗
NASA NTRS1989

A computationally efficient modelling of laminar separation bubbles

In order to predict the aerodynamic characteristics of airfoils operating at low Reynolds numbers, it is necessary to accurately account for the effects of laminar (transitional) separation bubbles. Generally, the greatest difficulty comes about when attempting to determine the increase in profile drag that results from the presence of separation bubbles. While a number of empirically based separation bubble models have been introduced in the past, the majority assume that the bubble development is fully predictable from upstream conditions. One way of accounting for laminar separation bubbles in airfoil design is the bubble analog used in the design and analysis program of Eppler and Somers. A locally interactive separation bubble model was developed and incorporated into the Eppler and Somers program. Although unable to account for strong interactions such as the large reduction in suction peak sometimes caused by leading edge bubbles, it is able to predict the increase in drag and the local alteration of the airfoil pressure distribution that is caused by bubbles occurring in the operational range which is of most interest.

Dini, Paolo↗
NASA NTRS1989

A computationally efficient modelling of laminar separation bubbles

In order to predict the aerodynamic characteristics of airfoils operating at low Reynolds numbers, it is necessary to accurately account for the effects of laminar (transitional) separation bubbles. Generally, the greatest difficulty comes about when attempting to determine the increase in profile drag that results from the presence of separation bubbles. While a number of empirically based separation bubble models have been introduced in the past, the majority assume that the bubble development is fully predictable from upstream conditions. One way of accounting for laminar separation bubbles in airfoil design is the bubble analog used in the design and analysis program of Eppler and Somers. A locally interactive separation bubble model was developed and incorporated into the Eppler and Somers program. Although unable to account for strong interactions such as the large reduction in suction peak sometimes caused by leading edge bubbles, it is able to predict the increase in drag and the local alteration of the airfoil pressure distribution that is caused by bubbles occurring in the operational range which is of most interest.

Dini, Paolo↗
NASA NTRS2003

Spectral Characteristics of Wake Vortex Sound During Roll-Up

This report presents an analysis of the sound spectra generated by a trailing aircraft vortex during its rolling-up process. The study demonstrates that a rolling-up vortex could produce low frequency (less than 100 Hz) sound with very high intensity (60 dB above threshold of human hearing) at a distance of 200 ft from the vortex core. The spectrum then drops o rapidly thereafter. A rigorous analytical approach has been adopted in this report to derive the spectrum of vortex sound. First, the sound pressure was solved from an alternative treatment of the Lighthill s acoustic analogy approach [1]. After the application of Green s function for free space, a tensor analysis was applied to permit the removal of the source term singularity of the wave equation in the far field. Consequently, the sound pressure is expressed in terms of the retarded time that indicates the time history and spacial distribution of the sound source. The Fourier transformation is then applied to the sound pressure to compute its spectrum. As a result, the Fourier transformation greatly simplifies the expression of the vortex sound pressure involving the retarded time, so that the numerical computation is applicable with ease for axisymmetric line vortices during the rolling-up process. The vortex model assumes that the vortex circulation is proportional to the time and the core radius is a constant. In addition, the velocity profile is assumed to be self-similar along the aircraft flight path, so that a benchmark vortex velocity profile can be devised to obtain a closed form solution, which is then used to validate the numerical calculations for other more realistic vortex profiles for which no closed form solutions are available. The study suggests that acoustic sensors operating at low frequency band could be profitably deployed for detecting the vortex sound during the rolling-up process.

Booth, Earl R., Jr.↗
DOE OSTI2023

Xyce™ Parallel Electronic Simulator Users’ Guide (V.7.7)

This manual describes the use of the Xyce Parallel Electronic Simulator. Xyce has been designed as a SPICE-compatible, high-performance analog circuit simulator, and has been written to support the simulation needs of the Sandia National Laboratories electrical designers.

42 ENGINEERING↗