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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 1,657 records · Page 92
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Computational Fermi Level Engineering and Doping-Type Conversion of Ga2O3 Via Three-Step Processing

Ga2O3 is being actively explored for power electronics, deep-ultraviolet optoelectronics, and other applications due to its ultra-wide bandgap and low projected fabrication cost of large-size and high-quality crystals. N-type doping of Ga2O3 can be achieved and tuned, but p-type doping faces fundamental obstacles due to deep character of acceptor levels and polaron transport of resulting holes. However, successful engineering of Ga2O3 based devices requires critical control of doping density, Fermi level position, and free carrier concentration, providing opportunities for predictive process simulation. We use first-principles defect theory and defect equilibrium calculations to simulate a 3-step growth-annealing-quench protocol for hydrogen assisted Mg doping in Ga2O3, taking into account the hydrogen-oxygen-water gas phase equilibrium. We predict type conversion to a net p-type regime following O-rich annealing after growth under reducing conditions in the presence of H2. This process is similar to the Mg acceptor activation by H removal in GaN. We show that there is an optimal temperature that maximizes the net acceptor density during the equilibrium annealing step for a given Mg doping level. Quenching of non-equilibrium annealed samples then results in a Fermi level EF below mid-gap down to about EV +1.5 eV, creating a significant number of uncompensated neutral MgGa0 acceptors. The resulting free hole concentration in quenched samples is very low (109 – 1012 cm-3) due to deep energy level of these Mg acceptors, but this type converted Ga2O3 material can create a significant built-in field in a p-n junction with an adjoining n-type material. Additionally, the electron concentration is greatly suppressed in such acceptor-doped Ga2O3, which could enable the use as a current blocking layer to fabricate normally-off (enhancement-mode) vertical Ga2O3 based metal-oxide-semiconductor field effect transistors (MOSFETs), and as a guard ring for edge termination in MOSFETs and Schottky barrier diodes (SBDs) with increased breakdown voltage.

CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS,M↗
NASA NTRS1978

A review of the theory of trailing edge noise

A critical review is presented of the literature on the theory of the generation of sound by the interaction of low Mach number turbulent flow with the edge of a semi-infinite rigid plate. Three distinct approaches to the subject are identified, consisting of theories based on (1) Lighthill's acoustic analogy, (2) the solution of special, linearized hydroacoustic problems and (3) ad hoc aerodynamic source models. It is shown that, when appropriately interpreted, all relevant theories produce essentially identical predictions in the limit of very small Mach numbers. In none of the theories, however, are the implications of the Kutta condition discussed, nor of the effect of forward flight and source motion relative to the trailing edge. Accordingly this review includes an outline of a redevelopment of the theory which gives a unified view of the problem, exhibits the significance of the various approximations, and incorporates the effect of mean motion and of the Kutta condition.

Howe, M. S.↗
DOE OSTI2022

Synchronous High-frequency Distributed Readout For Edge Processing At The Fermilab Main Injector And Recycler

The Main Injector (MI) was commissioned using data acquisition systems developed for the Fermilab Main Ring in the 1980s. New VME-based instrumentation was commissioned in 2006 for beam loss monitors (BLM)[2], which provided a more systematic study of the machine and improved displays of routine operation. However, current projects are demanding more data and at a faster rate from this aging hardware. One such project, Real-time Edge AI for Distributed Systems (READS), requires the high-frequency, low-latency collection of synchronized BLM readings from around the approximately two-mile accelerator complex. Significant work has been done to develop new hardware to monitor the VME backplane and broadcast BLM measurements over Ethernet, while not disrupting the existing operations critical functions of the BLM system. This paper will detail the design, implementation, and testing of this parallel data pathway.

43 PARTICLE ACCELERATORS↗
DOE OSTI2018

Manipulation of Edge‐Site Fe–N 2 Moiety on Holey Fe, N Codoped Graphene to Promote the Cycle Stability and Rate Capacity of Li–S Batteries

Abstract Graphene‐based materials have been widely studied to overcome the hurdles of Li–S batteries, but suffer from low adsorptivity to polar polysulfide species, slow mass transport of Li + ions, and severe irreversible agglomeration. Herein, via a one‐step scalable calcination process, a holey Fe, N codoped graphene (HFeNG) is successfully synthesized to address these problems. Diverging by the holey structures, the Fe atoms are anchored by four N atoms (Fe–N 4 moiety) or two N atoms (Fe–N 2 moiety) localized on the graphene sheets and edge of holes, respectively, which is confirmed by X‐ray absorption spectroscopy and density functional theory calculations. The unique holey structures not only promote the mass transport of lithium ions, but also prohibit the transportation of polysulfides across these additional channels via strong adsorption forces of Fe–N 2 moiety at the edges. The as‐obtained HFeNG delivers a high rate capacity of 810 mAh g −1 at 5 C and a stable cycling performance with the capacity decay of 0.083% per cycle at 0.5 C. The concept of holey structure and introduction of polar moieties could be extended to other carbon and 2D nanostructures for energy storage and conversion devices such as supercapacitors, alkali‐ion batteries, metal–air batteries, and metal–halogen batteries.

Wang, Yazhou↗
DOE OSTI2019

Electronic and Molecular Structures of the CeB 6 Monomer

The electronic and molecular structure of the CeB 6 molecular unit has been probed by anion PE spectroscopy and DFT calculations to gain insight into structural and electronic relaxation on edge and corner sites of this ionic material. While boron in bulk lanthanide hexaboride materials assumes octahedral B 6 3– units, the monomer assumes a less compact structure to delocalize the charge. Two competitive molecular structures were identified for the anion and neutral species, which include a boat-like structure and a planar or near-planar teardrop structure. Ce adopts different orbital occupancies in the two isomers; the boat-like structure has a 4f superconfiguration while the teardrop favors a 4f 6s occupancy. The B 6 ligand in these structures carries a charge of –4 and –3, respectively. The teardrop structure, which was calculated to be isoenergetic with the boat structure, was most consistent with the experimental spectrum. B 6 -local orbitals crowd the energy window between the Ce 4f and 6s (HOMO) orbitals. A low-lying transition from the B-based orbitals is observed slightly less than 1 eV above the ground state. Here, the results suggest that edge and corner conductivity involves stabilized, highly diffuse 6s orbitals or bands rather than the bulk-favored 5d band. High-spin and open-shell low-spin states were calculated to be very close in energy for both the anion and neutral, a characteristic that reflects how decoupled the 4f electron is from the B 6 2p- and Ce 6s-based molecular orbitals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Edge AI-Enhanced Traffic Monitoring and Anomaly Detection Using Multimodal Large Language Models

This paper addresses the challenge of traffic monitoring and incident detection in remote areas, utilizing multimodal large language models (LLMs) deployed on edge AI devices. The key novelty of the LLM is to convert real-time video streams into descriptive texts, enabling low-bandwidth transmissions and reliable detection of anomalies and incidents in environments of intermittent connectivity. The model is developed based on fine-tuning open-source LLMs and extending it with multi-modal capabilities to analyze video frames. Our work also involves deploying this model on edge devices such as Nvidia IGX Orin and is planned to be tested in realistic environments in future work. The methodology includes data set curation, iterative model fine-tuning and compression, and hardware-based optimization. This approach aims to enhance traffic safety and response speed in remote areas, marking a significant advancement in the application of AI for traffic monitoring and safety management.

Peruski, Ryan [University of Tennessee, Knoxville ↗
DOE OSTI2021

Fast Vehicle Turning-Movement Counting using Localization-based Tracking

Despite the high utility of traffic volume and turning movement data, such data is still hard to come by for the vast majority of roadways and intersections in nearly ev- ery city. Edge computing devices offer a promising tool for recording turning movement data if lightweight algorithms can be designed to run in real-time with relatively modest computational complexity. To that end, this work presents Vehicle Turning-Movement Counting using Localization- based Tracking (LBT-Count). This method is fast because it never performs detection on a full frame. Instead, only a few portions of the image are cropped and used to de- tect objects within the frame. The method achieves com- petitive performance on the public evaluation server for Track 1 of the AI City Challenge (7th overall on the first 50% of data). Furthermore, we show that LBT-Count is 52% faster than an analogous counting algorithm utilizing a traditional tracking-by-detection framework on available challenge data.

42 ENGINEERING↗
NASA NTRS2014

Multi-Element Airfoil System

A multi-element airfoil system includes an airfoil element having a leading edge region and a skin element coupled to the airfoil element. A slat deployment system is coupled to the slat and the skin element, and is capable of deploying and retracting the slat and the skin element. The skin element substantially fills the lateral gap formed between the slat and the airfoil element when the slat is deployed. The system further includes an uncoupling device and a sensor to remove the skin element from the gap based on a critical angle-of-attack of the airfoil element. The system can alternatively comprise a trailing edge flap, where a skin element substantially fills the lateral gap between the flap and the trailing edge region of the airfoil element. In each case, the skin element fills a gap between the airfoil element and the deployed flap or slat to reduce airframe noise.

Turner, Travis L.↗
NASA NTRS1995

Analytical studies of hypersonic viscous dissociated flows

This project primarily dealt with integral boundary-layer solution techniques that are directly applicable to the problem of determining aerodynamic heating rates of hypersonic vehicles like X-33 in the vicinity of stagnation points, windward centerlines, and swept-wing leading edges. The analyses include effects of finite-rate gas chemistry across the boundary layer and finite-rate catalysis of atom recombination at the surface. A new approach for combining the insight afforded by integral boundary-layer analysis with comprehensive (and expensive) computational fluid dynamic (CFD) flowfield solutions of the thin-layer Navier-Stokes equations was developed. The approach extracts CFD derived quantities at the wall and at the boundary layer edge for inclusion in a post-processing boundary-layer analysis. The post-processed data base allows a designer at a workstation to ask and answer the following questions: (1) How much does the heating change if one uses a thermal protection system (TPS) with different catalytic properties than was used in the original CFD solution? (2) How does the heating change when one moves the interface of two different TPS materials with different catalytic efficiencies for the purpose of reducing vehicle weight and expense? The answer to the second question is particularly critical, because abrupt changes from low catalytic efficiency to high catalytic efficiency can lead to localized increase in heating which exceeds the usually conservative estimate provided by a fully catalytic wall assumption. A secondary issue that was addressed involves the prediction of heating levels in the vicinity of sharp corners that are transverse to or aligned with the flow. An example of the first case is heating at the edge of the COMET reentry module. An example of the second case is heating along the side edge of a deflected body flap on an SSV. The difficulty of putting grids in the vicinity of such corners with continuously varying metric coefficients causes problems in CFD predictions. A preliminary theory for prediction that says the heating at the corner is X percent of the heating N boundary-layer thicknesses inboard was developed. This will prove useful to analytically evaluate the possible benefits of rounding the edges of these configurations and defining how much rounding is sufficient.

Inger, George R.↗
DOE OSTI2020

Observation of Double Excitations in the Resonant Inelastic X-ray Scattering of Nitric Oxide

The nitrogen K-edge resonant inelastic X-ray scattering (RIXS) map of nitric oxide (NO) has been measured and simulated to provide a detailed analysis of the observed features. High-resolution experimental RIXS maps were collected using an in situ gas flow cell and a high-transmission soft X-ray spectrometer. Accurate descriptions of the ground, excited, and core-excited states are based upon restricted active space self-consistent-field calculations using second order multiconfigurational perturbation theory. The nitrogen K-edge RIXS map of NO shows a range of features that can be assigned to intermediate states arising from 1s → π* and 1s → Rydberg excitations; additional bands are attributed to doubly excited intermediate states comprising 1s → π* and π → π* excitations. These results provide a detailed picture of RIXS for an open-shell molecule and an extensive description of the core-excited electronic structure of NO, an important molecule in many chemical and biological processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Fracture-based shape optimization built upon the topological derivative

In Silva et al. (2011) and Alidoost et al. (2020), the authors developed an approximation of the energy release rate field associated with a small edge or surface crack at any boundary location and with any orientation using the topological derivative. The approximation is computationally attractive because it requires only a single analysis on the non-cracked domain in contrast with conventional boundary-element and finite-element-based methods, which require a separate and costlier analysis for each crack length-location-orientation combination. Here, a shape optimization scheme for fracture-resistant structures is developed using the energy release rate approximation. In the gradient-based optimization scheme, the domain and its boundary are defined implicitly using level-set functions. The level-set functions of arbitrary geometries are constructed using Boolean operations from the level-set functions of simple primitives. This geometrical representation has the dual advantage of (i) allowing shapes to intersect and/or separate during the optimization and (ii) simplifying the computation of the shape sensitivities.

42 ENGINEERING↗
NASA NTRS1983

An experimental study of pressures on 60 deg Delta wings with leading edge vortex flaps

An experimental study was conducted in the Virginia Tech Stability Wind Tunnel to determine surface pressures over a 60 deg sweep delta wing with three vortex flap designs. Extensive pressure data was collected to provide a base data set for comparison with computational design codes and to allow a better understanding of the flow over vortex flaps. The results indicated that vortex flaps can be designed which will contain the leading edge vortex with no spillage onto the wing upper surface. However, the tests also showed that flaps designed without accounting for flap thickness will not be optimum and the result can be oversized flaps, early flap vortex reattachment and a second separation and vortex at the wing/flap hinge line.

Marchman, J. F., III↗
DOE OSTI2021

Beamline Spectroscopy of Integrated Circuits With Hard X-Ray Transition Edge Sensors at the Advanced Photon Source

At Argonne National Laboratory, we are developing hard X-ray (2 to 20 keV) Transition Edge Sensor (TES) arrays for beamline science. The significantly improved energy resolution provided by superconducting detectors compared to semiconductor-based energy-dispersive detectors, but with better collection efficiency than wavelength-dispersive instruments, will enable greatly improved X-ray emission and absorption spectroscopic measurements. Additionally, a prototype instrument with 24 microwave-frequency multiplexed pixels is now in testing at the Advanced Photon Source (APS) 1-BM beamline. Initial measurements show an energy resolution ten times better (150 eV compared to < 15 eV) than the silicon-drift detectors currently available to APS beamline users, and in particular demonstrate the ability to resolve closely-spaced emission lines in samples containing multiple transition metal elements, such as integrated circuits. Comparing fluorescence spectra of integrated circuits measured with our TESs at the beamline to those measured with silicon detectors, we find emission lines and elements largely hidden (e.g. Hf alongside Cu) from a semiconductor-based detector but well resolved by a TES. This directly shows the strengths of TES-based instruments in fluorescence mapping.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1984

Applications of CONMIN to wing design optimization with vortex flow effect

Slender wings on supersonic cruise configurations are expected to be thin and highly swept. As a result, edge-separated vortex flow is inevitable and must be accounted for in aerodynamic analysis and design. The present method is based on the method of suction analogy to calculate the total aerodynamic characteristics. The method requires the solution of the attached flow problem, the latter being solved by a low-order panel method in subsonic and supersonic flow. In essence, the lifting pressure is calculated by using a pressure-doublet distribution satisfying the Prandtl-Glauert equation. From the pressure distribution, the leading-edge suction is calculated. The latter is assumed to be the vortex lift through the method of suction analogy. For a cambered wing, the location of vortex-lift action point is important in predicting the aerodynamic characteristics. It is also seen that the effect of camber shape appears nonlinearly in all aerodynamic expressions. To design the camber shape, the camber slope is represented by a cosine Fourier series at each of several spanwise stations. The Fourier coefficients are the design variables. To design a leading-edge flap in the vortex flow (i.e., a vortex flap), the coordinates of corner points and the deflection angle are the design variables. The process of wing design is to determine the camber shape and twist distribution such that an objective function, typically the drag, is minimized, subject to various constraints.

Lan, C. E.↗
DOE OSTI2019

Flame Edge Dynamics and Interaction in a Multi-Nozzle Can Combustor with Fuel Staging

The characterization and mitigation of thermoacoustic combustion instabilities in gas turbine engines is necessary to reduce pollutant emissions, premature wear, and component failure associated with unstable flames. Fuel staging, a technique in which the fuel flow to a multi-nozzle combustor is unevenly distributed between the nozzles, has been shown to mitigate the intensity of self-excited combustion instabilities in multiple nozzle combustors. In our previous work, we hypothesized that staging suppresses instability through a phase-cancellation effect in which the heat release rate from the staged nozzle oscillates out of phase with that of the other nozzles, leading to destructive interference that suppresses the instability. This previous theory, however, was based on chemiluminescence imaging, which is a line-of-sight integrated technique. In this work, we use high-speed laser-induced fluorescence to further investigate instability suppression in two staging configurations: center-nozzle and outer-nozzle staging. An edge-tracking algorithm is used to compute local flame edge displacement as a function of time, allowing instability-driven edge oscillation phase coherence and other instantaneous flame dynamics to be spectrally and spatially resolved. Analysis of flame edge oscillations shows the presence of convecting coherent fluctuations of the flame edge caused by periodic vortex shedding. When the system is unstable, these two flame edges oscillate together as a result of high-intensity longitudinal-mode acoustic oscillations in the combustor that drive periodic vortex shedding at each of the nozzle exits. In the stable cases, however, the phase between the oscillations of the center and outer flame edges is greater than 90 degrees (~114 degrees), suggesting that the phase-cancellation hypothesis may be valid. This analysis allows a better understanding of the instantaneous flame dynamics behind flame edge oscillation phase offset and fuel staging-based instability suppression.

Doleiden, Daniel↗
DOE OSTI2019

Classification of local chemical environments from x-ray absorption spectra using supervised machine learning

We report that x-ray absorption spectroscopy is a premier element-specific technique for materials characterization. Specifically, the x-ray absorption near-edge structure (XANES) encodes important information about the local chemical environment of an absorbing atom, including coordination number, symmetry, and oxidation state. Interpreting XANES spectra is a key step towards understanding the structural and electronic properties of materials, and as such, extracting structural and electronic descriptors from XANES spectra is akin to solving a challenging inverse problem. Existing methods rely on empirical fingerprints, which are often qualitative or semiquantitative and not transferable. In this paper, we present a machine learning-based approach, which is capable of classifying the local coordination environments of the absorbing atom from simulated K-edge XANES spectra. The machine learning classifiers can learn important spectral features in a broad energy range without human bias and once trained, can make predictions on the fly. The robustness and fidelity of the machine learning method are demonstrated by an average 86% accuracy across the wide chemical space of oxides in eight 3d transition-metal families. Lastly, we found that spectral features beyond the preedge region play an important role in the local structure classification problem especially for the late 3d transition-metal elements.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Constructing compact and effective graphs for recommender systems via node and edge aggregations

Exploiting graphs for recommender systems has great potential to flexibly incorporate heterogeneous information for producing better recommendation results. As our baseline approach, we first introduce a naive graph-based recommendation method, which operates with a heterogeneous log-metadata graph constructed from user log and content metadata databases. Although the na ve graph-based recommendation method is simple, it allows us to take advantages of heterogeneous information and shows promising flexibility and recommendation accuracy. However, it often leads to extensive processing time due to the sheer size of the graphs constructed from entire user log and content metadata databases. In this paper, we propose node and edge aggregation approaches to constructing compact and e ective graphs called Factor-Item bipartite graphs by aggregating nodes and edges of a log-metadata graph. Furthermore, experimental results using real world datasets indicate that our approach can significantly reduce the size of graphs exploited for recommender systems without sacrificing the recommendation quality.

97 MATHEMATICS AND COMPUTING↗