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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 973 records · Page 54
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Ground electronic state description of thiourea coordination in homoleptic Zn 2+ , Ni 2+ and Co 2+ complexes using sulfur K -edge X-ray absorption spectroscopy

Sulfur K-edge X-ray absorption spectroscopy (XAS) was employed to experimentally characterize the coordinative bond between the thiourea (TU) or thiocarbamide ligand and transition metal (TM) ions Zn 2+ , Co 2+ and Ni 2+ in distorted tetrahedral and octahedral homoleptic coordination environments. Comparisons of XAS spectra of the free TU ligand and [Zn(TU) 4 ] 2+ , [Co(TU) 4 ] 2+ and [Ni(TU) 6 ] 2+ complexes clearly identify spectral features unique to TM 2+ –S(TU) bonding. Quantitative analysis of pre-edge intensities describes the covalency of Ni 2+ —S(TU) and Co 2+ —S(TU) bonding to be at most 21% and 9% as expressed by the S 3p contributions per TM 3d electron hole. Using relevant Ni 2+ complexes with dithiocarbamate and thioether ligands, we evaluated the empirical S 1s → 3p transition dipole integrals developed for S-donor ligands and their dependence on heteroatom substitutions. With the aid of density functional theory-based ground electronic state calculations, we found evidence for the need of using a transition dipole that is dependent on the presence of conjugated heteroatom (N) substitution in these S-donor ligands.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2022

Welcome to the Special Issue on Grid-Edge Computing With Behind-the-Meter Resources [Guest Editorial]

The integration of distributed energy resources (DERs), such as solar photovoltaic systems, as well as other synergistic assets, including electric vehicles, energy storage, and smart appliances, in electric power systems has been dramatically increasing in the past few years. These assets have the capability to provide much-needed flexibility to electric power systems for improved grid reliability, resilience, and economic efficiency; however, most of these resources are located behind the meter (BTM) on customer premises, and their flexibility is not fully used in current grid operations. Grid-edge computing plays an important role in unlocking the great benefits and potential that BTM resources could provide to electric power systems by enhancing visibility and controllability at the grid edge.

behind-the-meter resources↗
DOE OSTI2022

Advanced Metering Infrastructure for Distribution Planning and Operation: Closing the Loop on Grid-Edge Visibility

In the recent history of electric utilities, the potential to have visibility of the grid edge is gaining significance for the reliable planning and operation of a clean energy smart grid. Before the recent large-scale customer adoption of distributed energy resources (DERs), distribution networks were planned with a simpler fit-and-forget philosophy. The importance of customer-sited DERs to achieve climate change goals marks a major shift for utility operations. Changes to traditional fit-and-forget planning paradigms require better availability of grid-edge data. Smart metering is an enterprise-wide tool that is enabling visibility when and where it has been most needed. As of 2020, the rollout of smart metering, or advanced metering infrastructure (AMI), had reached more than 100 million meters in the United States, and nearly half of all electricity customers are now equipped with a smart meter (Figure 1). Smart meters are quickly becoming a ubiquitous data capture feature of smart grids. AMI enables utilities to record and measure electricity usage and power-flow metrics at a minimum of hourly intervals and at least once a day. At a minimum, AMI enables interval metering, automatic meter reading enabling accurate and time-interval billing, and the ability to provide feedback on customer energy consumption.

advanced metering infrastructure↗
DOE OSTI2023

Editorial: Edge computation and digital distribution networks

The development of digital technologies is penetrating all areas of energy revolution. Based on the in-depth integration of advanced digital technologies, distribution networks are gradually transforming into digital distribution networks (DDNs) with tremendous changes from the structure to the operation mode. DDNs is the digitalized appearance of the physical distribution network, in which ubiquitous connections and massive data are the basic characteristics (Huo et al., 2022). It is an important task to utilize the massive data and propose novel operation modes to construct more efficient and intelligent distribution networks (Jian et al., 2022). Among the advanced digital technologies in DDNs, edge computing has received wide attention (Zhao et al., 2022). It has superior performance in local sensing and intelligent computation, which can effectively relieve huge communication pressure. However, the limited computing resources and the complex computing tasks at the edge side significantly challenge the collaboration of distribution network regulation and advanced digital technologies (Hu et al., 2022). It is necessary to find out proper methods to utilize advanced digital technology to construct DDNs. This Research Topic is organized to introduce the recent progress in the construction, operation and advanced computational methods for DDNs. Finally, seven papers have been accepted, which can be sorted into the following three categories: 1) Evolution and technical features of DDNs, 2) Intelligent operation control of DDNs, 3) Advanced simulation for large-scale DDNs. The three sections below respectively introduce the major research and contributions of the papers covered in each category.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS1970

Flutter, vibration, and buckling of truncated orthotropic conical shells with generalized elastic edge restraint

A theoretical investigation has been made of the flutter, vibration, and buckling of truncated conical shells with generalized elastic edge restraint. The shell analysis is of the classical Donnell type, in-plane inertias and structural damping are neglected, and the aerodynamic loading is represented by the inviscid two-dimensional quasi-steady approximation. An approximate solution is obtained by the generalized Galerkin method. The accuracy and limitations of the analysis are illustrated by comparing numerical results for buckling an vibration with results of other investigations for various boundary conditions, applied loads, and shell geometries and stiffness. Sufficient numerical results are presented to permit the determination of the flutter condition for simply supported isotropic conical shells for a wide range of cone angle, length-radius ration, and radius-thickness ratio. Results are also presented to indicate some effects of variations in edge restraint, applied loads, and ring or stringer stiffening.

Flutter↗
NASA NTRS1945

Tests of Four Full-scale Propellers to Determine the Effect of Trailing-edge Extensions on Propeller Aerodynamic Characteristics

Propellers with trailing-edge extensions were studied to determine aerodynamic characteristics. Trailing-edge extension increased power absorbed by propeller with little loss in efficiency. Power coefficient for maximum efficiency was greater for 20% camber type extension than for 20% straight type extension over range of advance ratio of 1.0 to 2.5 although camber type was less efficient. Efficiency was about the same for cruising and high-speed at a high power coefficient for propeller with extension.

PROPELLERS - TRAILING EDGE, EXTENDED↗
NASA NTRS2024

Study on Near Edge Impact Behavior of Sandwich Panels in Support of the SLS Payload Adaptor Fitting (PAF)

This paper examines the effects of impacts near the edge of honeycomb sandwich panels compared to impacts at the center of the specimen. Instrumented impact data, NDE, cross-sectional photomicroscopy and Compression After Impact (CAI) testing were conducted. The key result is that for a given impact severity level, the CAI strength values are about the same regardless of how close the impact is to the edge of the panel.

Off Center Impacts↗
DOE OSTI2021

Decoupling Complex Multi–Length–Scale Morphology in Non–Fullerene Photovoltaics with Nitrogen K–Edge Resonant Soft X–ray Scattering

Complex morphology in organic photovoltaics (OPVs) and other functional soft materials commonly dictates performance. Such complexity in OPVs originates from the mesoscale kinetically trapped non-equilibrium state, which governs device charge generation and transport. Resonant soft X-ray scattering (RSoXS) has been revolutionary in the exploration of OPV morphology in the past decade due to its chemical and orientation sensitivity. However, for non-fullerene OPVs, RSoXS analysis near the carbon K-edge is challenging, due to the chemical similarity of the materials used in active layers. Here, an innovative approach is provided by nitrogen K-edge RSoXS (NK-RSoXS), utilizing the spatial and orientational contrasts from the cyano groups in the acceptor materials, which allows for determination of phase separation. NK-RSoXS clearly visualizes the combined feature sizes in PM6:Y6 blends from crystallization and liquid-liquid demixing, while PM6:Y6:Y6-BO ternary blends with reduced phase-separation size and enhanced material crystallization can lead to current amplification in devices. Nitrogen is common in organic semiconductors and other soft materials, and the strong and directional N 1s → π* resonances make NK-RSoXS a powerful tool to uncover the mesoscale complexity and open opportunities to understand heterogeneous systems.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Molybdenum Disulfide Nanoribbons with Enhanced Edge Nonlinear Response and Photoresponsivity

MoS 2 nanoribbons have attracted increased interest due to their properties, which can be tailored by tuning their dimensions. Herein, the growth of MoS 2 nanoribbons and triangular crystals formed by the reaction between films of MoOx (2 2 nanoribbons arising from distinct contributions from the single–layer edges and multilayer core. Nanoscale imaging reveals a blue-shifted exciton emission of the monolayer edge compared to the isolated MoS 2 monolayers due to built-in local strain and disorder. We further report on an ultrasensitive photodetector made of a single MoS 2 nanoribbon with a responsivity of 8.72 × 10 2 A W –1 at 532 nm, among the highest reported up-to-date for single-nanoribbon photodetectors. These findings can inspire the design of MoS 2 semiconductors with tunable geometries for efficient optoelectronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Theoretical Investigation of the Oxygen Reduction Reaction over Platinum Catalysts Supported by Multi-Edged Vertically Aligned Carbon Nanofiber for Electrocatalyst Preparation

Vertically aligned carbon nanofibers (VACNFs) are promising supports for oxygen reduction reaction (ORR) electrocatalysts in fuel cells. Although experimentally these catalytic systems have shown great potential, there is lack of molecular understanding of the catalytic sites and reaction mechanisms. This work investigated the origin of the ORR reactivities of the platinum catalysts on multi-edged VACNFs (Pt/VACNF) using a multiscale modeling approach combining Density Functional Theory (DFT) and classical Molecular Dynamics (MD) simulations. Based on the ReaxFF potential, here all nanoscale Pt particles (Pt 55 , P 100 , and Pt 147 ) are stabilized by the open edges located axially along the VACNF walls. The calculated first-shell coordination numbers, CN, of surface Pt atoms are 6.63, 7.27, and 7.85, respectively, suggesting that the percentage of low coordination sites increases as the particle size decreases. The adsorption energies of OOH, O, and OH on Pt-55 were systematically probed using DFT calculations. These adsorption energies retain a linear correlation against the generalized coordination numbers ($\overline{CN}$). For Pt nanoparticles supported on VACNF, we found that the OOH and OH bind stronger than on Pt (111) by 0.14 and 0.17 eV, respectively, which can hinder the ORR activity with lower limiting potential than Pt (111). Our theoretical prediction is in good agreement with the linear sweeping voltammetry that revealed a left shift of the half-wave potential.

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

Characterizing Polyoxovanadate‐Alkoxide Clusters Using Vanadium K‐Edge X‐Ray Absorption Spectroscopy

Abstract A number of technologies would benefit from developing inorganic compounds and materials with specific electronic and magnetic exchange properties. Unfortunately, designing compounds with these properties is difficult because metal⋅⋅⋅metal coupling schemes are hard to predict and control. Fully characterizing communication between metals in existing compounds that exhibit interesting properties could provide valuable insight and advance those predictive capabilities. One such class of molecules are the series of Lindqvist iron‐functionalized and hexavanadium polyoxovanadate‐alkoxide clusters, which we characterized here using V K‐edge X‐ray absorption spectroscopy. Substantial changes in the pre‐edge peak intensities were observed that tracked with the V 3 d ‐electron count. The data also suggested substantial delocalization between the vanadium cations. Meanwhile, the Fe III cations were electronically isolated from the polyoxovanadate core.

Meyer, Rachel L.↗
DOE OSTI2021

An identity privacy scheme for blockchain‐based on edge computing

Abstract Blockchain has decentralization characteristics and requires more targeted security schemes to protect user privacy. In contrast, existing signature schemes have many high‐complexity operations and impose an enormous computational burden on wireless nodes. This article proposes a light‐weighted identity privacy scheme for blockchain‐based on edge computing. We construct linkable identity privacy and non‐linkable identity privacy, which can resist collusion attacks while virtually guaranteeing blockchain nodes' identity privacy. Since edge computing offloads heavily, the proposed scheme has lower computational complexity than the existing techniques.

Mu, Rui↗
DOE OSTI2021

Edge-Mediated Annihilation of Vacancy Clusters in Monolayer Molybdenum Diselenide (MoSe 2 ) under Electron Beam Irradiation

Here annihilation of vacancy clusters in monolayer molybdenum diselenide (MoSe2) under electron beam irradiation is reported. In situ high-resolution transmission electron microscopy observation reveals that the annihilation is achieved by diffusion of vacancies to the free edge near the vacancy clusters. Monte Carlo simulations confirm that it is energetically favorable for the vacancies to locate at the free edge. By computing the minimum energy path for the annihilation of one vacancy cluster as a case study, it is further shown that electron beam irradiation and pre-stress in the suspended MoSe2 monolayer are necessary for the vacancies to overcome the energy barriers for diffusion. The findings suggest a new mechanism of vacancy healing in 2D materials and broaden the capability of electron beam for defect engineering of 2D materials, a promising way of tuning their properties for engineering applications.

2D materials↗
DOE OSTI2024

Single Crystalline GeSe Van Der Waals Ribbons With Uniform Layer Stacking, High Carrier Mobility, and Adjustable Edge Morphology

Abstract Performance of the group IV monochalcogenide GeSe in solar cells, electronic, and optoelectronic devices is expected to improve when high‐quality single crystalline material is used rather than polycrystalline films. Crystalline flakes represent an attractive alternative to bulk single crystals as their synthesis may be developed to be scalable, faster, and with higher overall yield. However, large – and especially large and thin – single crystal flakes are notoriously hard to synthesize. Here it is demonstrated that vapor‐liquid‐solid growth combined with direct lateral vapor‐solid incorporation produces high‐quality single crystalline GeSe ribbons with tens of micrometers size and controllable thickness. Electron microscopy shows that the ribbons exhibit perfect equilibrium (AB) van der Waals stacking order without extended defects across the entire thickness, in contrast to the conventional case of substrate‐supported flakes where material is added via layer‐by‐layer nucleation and growth on the basal plane. Electrical measurements show anisotropic transport and a high Hall mobility of 85 cm 2 V −1 s −1 , on par with the best single crystals to date. Growth from mixed GeSe and SnSe vapors, finally, yields ribbons with unchanged structure and composition but with jagged edges, promising for applications that rely on ample chemically active edge sites, such as catalysis or photocatalysis.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2022

Smoky Mountain Data Challenge 2021: An Open Call to Solve Scientific Data Challenges Using Advanced Data Analytics and Edge Computing

The 2021 Smoky Mountains Computational Sciences and Engineering Conference enlists scientists from across Oak Ridge National Laboratory (ORNL) and industry to be data sponsors and help create data analytics and edge computing challenges for eminent datasets in a variety of scientific domains. This work describes the significance of each of the eight datasets and their associated challenge questions. The challenge questions for each dataset were required to cover multiple difficulty levels. An international call for participation was sent to students, asking them to form teams of up to six people and apply novel data analytics and edge computing methods to solve these challenges.

Devineni, Pravallika↗
DOE OSTI2020

Development of Transition-Edge Sensor X-ray Microcalorimeter Linear Array for Compton Scattering and Energy Dispersive Diffraction Imaging

In this paper we present a strip transition-edge sensor microcalorimeter linear array detector developed for energy dispersive X-ray diffraction imaging and Compton scattering applications. The prototype detector is an array of 20 transition-edge sensors with absorbers in strip geometry arranged in a linear array. We discuss the fabrication steps needed to develop this array including Mo/Cu bilayer, Au electroplating, and proofof-principle fabrication of long strips of SiNx membranes. We demonstrate minimal unwanted effect of strip geometry on X-ray pulse response and showlinear relationship of 1/pulse height and pulse decay times with absorber length. For the absorber lengths studied, our preliminary measurements show energy resolutions of 40-180eV near 17 keV. Furthermore, we show that the heat flow to the cold bath is nearly independent of the absorber area and depends on the SiNx membrane geometry.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Clustering and Cliques in Preferential Attachment Random Graphs with Edge Insertion

In this paper, we investigate the global clustering coefficient (a.k.a transitivity) and clique number of graphs generated by a preferential attachment random graph model with an additional feature of allowing edge connections between existing vertices. Specifically, at each time step t, either a new vertex is added with probability f(t), or an edge is added between two existing vertices with probability 1 – f(t). We establish concentration inequalities for the global clustering and clique number of the resulting graphs under the assumption that f(t) is a regularly varying function at infinity with index of regular variation –$\gamma$, where $\gamma$ $\in$ [0, 1). Finally, we also demonstrate an inverse relation between these two statistics: the clique number is essentially the reciprocal of the global clustering coefficient.

97 MATHEMATICS AND COMPUTING↗