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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Theoretical understanding of stability of the oxygen electrode in a proton-conductor based solid oxide electrolysis cell

The oxygen electrode in a proton-conductor based solid oxide cells is often a triple-conducting material that enables the transport and exchange of electrons (e - ), oxygen ions (O 2- ), and protons (H + ), thus expanding active areas to enhance the oxygen electrode activity. In this work, a theoretical model was developed to understand stability of tri-conducting oxygen electrode by studying chemical potentials of neutral species (i.e., μ o 2 , μ H 2 , and μ H 2 O ) as functions of transport properties, operating parameters, and cell geometry. Our theoretical understanding shows that (1): In a conventional oxygen-ion based solid oxide cell, a high μ o 2 (thus high oxygen partial pressure) exists in the oxygen electrode during the electrolysis mode, which may lead to the formation of cracks at the electrode/electrolyte interface. Further, while in a proton-conductor based solid oxide cell, the μ o 2 is reduced significantly, suppressing the crack formation, and resulting in improved performance stability (2). In a typical proton-conductor based solid oxide electrolyzer, the dependence of μ o 2 on the Faradaic efficiency is negligible. Hence, approaches to block the electronic current can improve the electrolysis efficiency while achieving stability (3). The difference of the μ o 2 (thus p o 2 ) between the oxygen electrode and gas phase can be reduced by using higher ionic conducting components and improving electrode kinetics, which lead to further improvement of electrode stability.

08 HYDROGEN↗
DOE OSTI2020

Lattice Strain Measurement of Core@Shell Electrocatalysts with 4D Scanning Transmission Electron Microscopy Nanobeam Electron Diffraction

Strain engineering enables the direct modification of atomic bonding and is currently an active area of research aimed at improving electrocatalytic activity. However, directly measuring the lattice strain of individual catalyst nanoparticles is challenging, especially at the scale of a single unit cell. In this study, we quantitatively map the strain present in rhodium@platinum (core@shell) nanocube electrocatalysts using conventional aberration-corrected scanning transmission electron microscopy (STEM) and the recently developed technique of 4D-STEM nanobeam electron diffraction. We demonstrate that 4D-STEM combined with data preconditioning allows for quantitative lattice strain mapping with subpicometer precision and without the influence of scan distortions. When combined with multivariate curve resolution, 4D-STEM allows us to distinguish the nanocube core from the shell and to quantify the unit cell size as a function of distance from the core–shell interface. Our results demonstrate that 4D-STEM has significant precision and accuracy advantages in strain metrology of catalyst materials compared to aberration-corrected STEM imaging and is beneficial for extracting information about the evolution of strain in catalyst nanoparticles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Exploring Classification of Topological Priors With Machine Learning for Feature Extraction

In many scientific endeavors, increasingly abstract representations of data allow for new interpretive methodologies and conceptualization of phenomena. For example, moving from raw imaged pixels to segmented and reconstructed objects allows researchers new insights and means to direct their studies toward relevant areas. Thus, the development of new and improved methods for segmentation remains an active area of research. With advances in machine learning and neural networks, scientists have been focused on employing deep neural networks such as U-Net to obtain pixel-level segmentations, namely, defining associations between pixels and corresponding/referent objects and gathering those objects afterward. Topological analysis, such as the use of the Morse-Smale complex to encode regions of uniform gradient flow behavior, offers an alternative approach: first, create geometric priors, and then apply machine learning to classify. This approach is empirically motivated since phenomena of interest often appear as subsets of topological priors in many applications. Using topological elements not only reduces the learning space but also introduces the ability to use learnable geometries and connectivity to aid the classification of the segmentation target. Here, in this article, we describe an approach to creating learnable topological elements, explore the application of ML techniques to classification tasks in a number of areas, and demonstrate this approach as a viable alternative to pixel-level classification, with similar accuracy, improved execution time, and requiring marginal training data.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Response of AC-coupled low gain avalanche detectors to ionizing and non-ionizing radiation damage

Low gain avalanche diodes with DC- and AC-coupled readout were exposed to ionizing and non-ionizing radiation at levels relevant to future experiments in particle, nuclear, and medical physics and to astrophysics. Damage-related change in their acceptor removal constants and in the resistivity of the region between the guard ring and the active area are reported, as is change in the leakage current and depletion voltages of the active volumes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Creating and Preserving Nanoparticles during Co-Sintering of Solid Oxide Electrodes and Its Impact on Electrocatalytic Activity

A novel processing method that creates and preserves ceramic nanoparticles in solid oxide electrodes during co-sintering at traditional sintering temperatures is introduced. Specifically, carbon templated samarium-doped ceria nanoparticles (nSDC) were successfully integrated with commercial lanthanum strontium cobalt ferrite (LSCF) and commercial SDC powders, producing LSCF-SDC-nSDC cathodes upon processing. The effect of nSDC concentration on cathode electrocatalytic activity was investigated at low operational temperatures, 600 °C–700 °C, with symmetrical cells. Low nSDC loadings, ≤5 wt% nSDC, significantly decreased cell polarization resistance whereas higher loadings increased it. The best electrochemical performance was achieved with 5 wt% nSDC, lowering the polarization resistance by 41% at 600 °C. Fuel cell tests demonstrate that adding 5 wt% nSDC increased the maximum fuel cell power density by 38%. Electrochemical impedance spectra showed substantial improvements in both fuel cell polarization resistance and ohmic resistance, indicating that nSDC increased the electrocatalytically active area of the cathode. This work demonstrates a simple, novel method for effectively increasing electrocatalytic activity of solid oxide electrodes at low operational temperatures.

Muhoza, Sixbert P. (ORCID:0000000299864241)↗
DOE OSTI2025

Response of AC-coupled Low Gain Avalanche Detectors to Ionizing and Non-ionizing Radiation Damage

Low gain avalanche diodes with DC- and AC-coupled readout were exposed to ionizing and non-ionizing radiation at levels relevant to future experiments in particle, nuclear, and medical physics and to astrophysics. Damage-related change in their acceptor removal constants and in the resistivity of the region between the guard ring and the active area are reported, as is change in the leakage current and depletion voltages of the active volumes.

FOS: Physical sciences↗
DOE OSTI2023

Design, construction and commissioning of a technological prototype of a highly granular SiPM-on-tile scintillator-steel hadronic calorimeter

The CALICE collaboration is developing highly granular electromagnetic and hadronic calorimeters for detectors at future energy frontier electron-positron colliders. After successful tests of a physics prototype, a technological prototype of the Analog Hadron Calorimeter has been built, based on a design and construction techniques scalable to a collider detector. The prototype consists of a steel absorber structure and active layers of small scintillator tiles that are individually read out by directly coupled SiPMs. Each layer has an active area of 72 × 72 cm^2 and a tile size of 3 × 3 cm^2. With 38 active layers, the prototype has nearly 22,000 readout channels, and its total thickness amounts to 4.4 nuclear interaction lengths. The dedicated readout electronics provide time stamping of each hit with an expected resolution of about 1 ns. The prototype was constructed in 2017 and commissioned in beam tests at DESY. It recorded muons, hadron showers and electron showers at different energies in test beams at CERN in 2018. In this paper, the design of the prototype, its construction and commissioning are described. The methods used to calibrate the detector are detailed, and the performance achieved in terms of uniformity and stability is presented.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Favorable morphology and electronic conductivity of functional sublayers for highly efficient water splitting electrodes

Low electronic conductivities and improper morphologies of anode electrodes greatly limit the reaction area, catalyst utilization and efficiency in proton exchange membrane water electrolyzers. In this study, conductive sublayers with different conductivities and morphologies were introduced into anode electrodes in membrane-based water electrolyzers. In-situ and ex-situ investigation results showed that conductive sublayers (Au mesh and carbon nanotube (CNT) film) augmented the sheet conductivity of anode electrodes by up to 4000 times (from 2000 to 0.5 ohm square -1 ), and the ohmic resistance of water electrolyzers was reduced to 1/3 when inserting conductive sublayers. In addition, CNT film provided a higher electrochemical active area than Au mesh, because of favorable morphologies (large porosity and surface area) of CNT fibers on CNT films. Therefore, the current density of water splitting was increased by 3 times (from 4.55 mA cm -2 to 14.83 mA cm -2 ) at 2.5 V compared to a conventional anode electrode. Visualizations on bubble dynamics showed improved performances with conductive sublayers; this was mainly due to greatly increased number of reaction sites, highly spread reaction area (from 50 to 1000 um), and reduced activation overpotential. Therefore, a balance between high electronic conductivity and nanoporous morphology is essential to the anode electrode for larger reaction sites and areas in highly efficient water electrolyzers.

25 ENERGY STORAGE↗
DOE OSTI2022

Parallel-in-Time Integration for Nonlinear Hyperbolic Problems (Final Report)

The work for the subcontract was situated in the area of parallel-in-time integration for hyperbolic partial differential equations (PDEs). Parallel-in-time integration is an active area of research due to its ability to enable faster numerical simulations for applications throughout many areas of science. Over the past two decades, much progress has been made in this area; however, this progress has largely been limited to diffusion-dominated PDEs, with some recent success in scalar linear hyperbolic PDEs. Given the ubiquity of numerical simulations of hyperbolic PDEs throughout the sciences, in particular, nonlinear hyperbolic systems, there is a strong need to develop efficient parallel-in-time techniques for hyperbolic problems beyond simple scalar and linear cases, which is the main topic of this subcontract. The main focus of the work was to further develop and perfect coarse-grid operators for the Multigrid Reduction-inTime (MGRIT) method applied to hyperbolic PDEs that were recently proposed in PhD thesis, based on a modified semi-Lagrangian approach.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Parallel-in-Time Methods for Method-of-Lines Discretizations of Nonlinear Hyperbolic PDEs and Systems (Final Report)

The work for the subcontract is situated in the area of parallel-in-time integration for hyperbolic partial differential equations (PDEs). Parallel-in-time integration is an active area of research due to its ability to enable faster numerical simulations for applications throughout many areas of science. The work in this subcontract builds on a variety of results that were obtained, as part of the work performed for Subcontract No. B648355, for the Multigrid Reduction-in-Time (MGRIT) method from [1] applied to hyperbolic PDEs. This subcontract extends these results further to more efficient methods and to the case of method-of-lines discretizations for nonlinear hyperbolic PDES and systems of PDEs. The following is a summary of the research performed and results achieved during milestone periods 1, 2 and 3 by the PI (Hans De Sterck) and Postdoctoral Research Associate (Oliver Krzysik), for required tasks 1-4 (as listed in the Statement of Work): Research over the previous year has been split into three main projects: (i) solution of acoustic equation system; (ii) solution of nonlinear scalar hyperbolic PDEs; (iii) solution of nonlinear hyperbolic systems of PDEs.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Effect of Illumination Area on the Ultrafast Temporal Response of MSM GaN Photodiodes

We investigate the influence of spatial illumination profiles on the temporal response of metal–semiconductor–metal GaN photodiodes. Using both simulation and experimental measurements, we compare the response curves under two scenarios: illumination confined to the active area between electrodes and extended illumination beyond the contacts. The results show that limiting the beam illumination to the active region significantly sharpens the response, reducing the long decay tails associated with slow carrier drift from peripheral regions. As a result, the experimental data closely match simulation predictions, confirming that illumination geometry plays a critical role in optimizing photodiode performance for ultrafast detection applications.

Carrier drift time↗
DOE OSTI2021

Parallel-In-Time Integration for Hyperbolic Problems (Final Report)

The work for the subcontract was situated in the area of parallel-in-time integration for advection-dominated and hyperbolic partial differential equations (PDEs). Parallel-in-time integration is an active area of research due to its ability to enable faster numerical simulations for applications throughout many areas of science. Over the past two decades, much progress has been made in this area; however, this progress has largely been limited to non-hyperbolic, diffusion-dominated PDEs. Given the ubiquity of numerical simulations of advection-dominated hyperbolic PDEs throughout the sciences, there is a strong need to develop efficient parallel-in-time techniques for hyperbolic problems, which was the main topic of this subcontract.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Durable Mn-Based PGM-Free Catalysts for Polymer Electrolyte Membrane Fuel Cells

This proposed project aims to develop and evaluate novel manganese based, nitrogen-derived, PGM-free electrocatalysts (denoted as Mn-N-C) to fully address the membrane electrolyte assemblies (MEA)’s ionomer degradation issue resulting from iron. Four thrusts will be pursed in this proposed project. First, advanced first-principles computation methods will be employed to accelerate the rational catalyst design and synthesis. Second, an effective hydro-gel method will be used to maximize atomic Mn active sites embedded in carbon matrix. Next, state-of-the art methods in fuel cell companies will be used to fabricate MEAs containing the Mn-N-C catalysts. Finally, industry standards will be rigorously followed to evaluate fuel cell performance and durability of the Mn-N-C catalysts. With successful completion of the project, it is expected that the following outcomes will be achieved. (1) A set of MEAs containing the Mn-N-C catalysts and with active area large than 50 cm 2 for independent testing, (2) testing results demonstrating that the MEAs of Mn-N-C catalysts have mass activity of 0.044 A/cm 2 at 0.9 VIR-free and H 2 /air performance of 0.50 V at 1.0 A/cm 2 ; (3) fundamental understanding of the composition-structure-property relation of the PGM-free Mn- N-C catalysts, and (4) computational data, measurement data, and publications deposited into the database of ElectroCat Consortium.

08 HYDROGEN↗
DOE OSTI2021

Landsat-based Irrigation Dataset (LANID): 30 m resolution maps of irrigation distribution, frequency, and change for the US, 1997–2017

Abstract. Data on irrigation patterns and trends at field-level detail across broad extents are vital for assessing and managing limited water resources. Until recently, there has been a scarcity of comprehensive, consistent, and frequent irrigation maps for the US. Here we present the new Landsat-based Irrigation Dataset (LANID), which is comprised of 30 m resolution annual irrigation maps covering the conterminous US (CONUS) for the period of 1997–2017. The main dataset identifies the annual extent of irrigated croplands, pastureland, and hay for each year in the study period. Derivative maps include layers on maximum irrigated extent, irrigation frequency and trends, and identification of formerly irrigated areas and intermittently irrigated lands. Temporal analysis reveals that 38.5×106 ha of croplands and pasture–hay has been irrigated, among which the yearly active area ranged from ∼22.6 to 24.7×106 ha. The LANID products provide several improvements over other irrigation data including field-level details on irrigation change and frequency, an annual time step, and a collection of ∼10 000 visually interpreted ground reference locations for the eastern US where such data have been lacking. Our maps demonstrated overall accuracy above 90 % across all years and regions, including in the more humid and challenging-to-map eastern US, marking a significant advancement over other products, whose accuracies ranged from 50 % to 80 %. In terms of change detection, our maps yield per-pixel transition accuracy of 81 % and show good agreement with US Department of Agriculture reports at both county and state levels. The described annual maps, derivative layers, and ground reference data provide users with unique opportunities to study local to nationwide trends, driving forces, and consequences of irrigation and encourage the further development and assessment of new approaches for improved mapping of irrigation, especially in challenging areas like the eastern US. The annual LANID maps, derivative products, and ground reference data are available through https://doi.org/10.5281/zenodo.5548555 (Xie and Lark, 2021a).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Tungsten-dioxo single-site heterogeneous catalyst on carbon: synthesis, structure, and catalysis

This study investigates the application of a novel third-row metal, tungsten, to carbon-supported single-site metal-oxo heterogeneous catalysis. Tungsten is a green and earth-abundant metal, but an unexplored candidate in this role. The carbon (AC = activated carbon)-supported tungsten dioxo complex, AC/WO 2 was prepared via grafting of (DME)WO 2 Cl 2 (DME = 1,2-dimethoxyethane) onto high-surface-area activated carbon. AC/WO 2 was fully characterized by ICP-OES, XPS, EXAFS, XANES, SMART-EM, and DFT. W 4d 7/2 XPS and W L III -Edge XANES assign the oxidation state as W(VI), while EXAFS reveals two W=O double and two W–O single bonds at distances of 1.73 and 1.92 Å, respectively. These data align well with DFT computational results, supporting the structure as Carbon(–μ-O–) 2 M(=O) 2 . SMART-EM verifies that single W(VI) catalytic sites are bonded in an out-of-plane manner. The catalytic performance of air- and water-stable AC/WO 2 is compared to that of AC/MoO 2 . AC/WO 2 is more active and selective than the molybdenum analog in mediating alcohol dehydration of various substrates, and is recyclable. Notably, AC/WO 2 is an effective and recyclable catalyst for primary aliphatic alcohol dehydration and forms no dehydrogenation side products in contrast to AC/MoO 2 . However, AC/WO 2 is less effective in epoxidation and PET depolymerization. Overall, this work demonstrates the potential of carbon-supported third row metals for future studies.

02 PETROLEUM↗
DOE OSTI2022

Tuning Catalyst Activation and Utilization Via Controlled Electrode Patterning for Low-Loading and High-Efficiency Water Electrolyzers

An anode electrode concept of thin catalyst-coated liquid/gas diffusion layers (CCLGDLs), by integrating Ir catalysts with Ti thin tunable LGDLs with facile electroplating in proton exchange membrane electrolyzer cells (PEMECs), is proposed. The CCLGDL design with only 0.08 mg Ir cm -2 can achieve comparative cell performances to the conventional commercial electrode design, saving ~97% Ir catalyst and augmenting a catalyst utilization to ~24 times. CCLGDLs with regulated patterns enable insight into how pattern morphology impacts reaction kinetics and catalyst utilization in PEMECs. A specially designed two-sided transparent reaction-visible cell assists the in situ visualization of the PEM/electrode reaction interface for the first time. Oxygen gas is observed accumulating at the reaction interface, limiting the active area and increasing the cell impedances. In this work, it is demonstrated that mass transport in PEMECs can be modified by tuning CCLGDL patterns, thus improving the catalyst activation and utilization. The CCLGDL concept promises a future electrode design strategy with a simplified fabrication process and enhanced catalyst utilization. Furthermore, the CCLGDL concept also shows great potential in being a powerful tool for in situ reaction interface research in PEMECs and other energy conversion devices with solid polymer electrolytes.

08 HYDROGEN↗
DOE OSTI2021

Peptidomimetic nitrile warheads as SARS-CoV-2 3CL protease inhibitors

Tragically, the death toll from the COVID-19 pandemic continues to rise, and with variants being observed around the globe new therapeutics, particularly direct-acting antivirals that are easily administered, are desperately needed. Studies targeting the SARS-CoV-2 3CL protease, which is critical for viral replication, with different peptidomimetics and warheads is an active area of research for development of potential drugs. To date, however, only a few publications have evaluated the nitrile warhead as a viral 3CL protease inhibitor, with only modest activity reported. This article describes our investigation of P3 4-methoxyindole peptidomimetic analogs with select P1 and P2 groups with a nitrile warhead that are potent inhibitors of SARS-CoV-2 3CL protease and demonstrate in vitro SARS-CoV-2 antiviral activity. A selectivity for SARS-CoV-2 3CL protease over human cathepsins B, S and L was also observed with the nitrile warhead, which was superior to that with the aldehyde warhead. A co-crystal structure with SARS-CoV-2 3CL protease and a reversibility study indicate that a reversible, thioimidate adduct is formed when the catalytic sulfur forms a covalent bond with the carbon of the nitrile. Furthermore, this effort also identified efflux as a property limiting antiviral activity of these compounds, and together with the positive attributes described these results provide insight for further drug development of novel nitrile peptidomimetics targeting SARS-CoV-2 3CL protease.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Water Power Technologies Office: 2021-2022 Accomplishments Report

The report details key performance goals for each of WPTO’s activity areas until 2025 and includes long-term, follow-on objectives through 2030. This report serves as a strategic vision and operational guide to help WPTO manage and coordinate its future activities and communicate its mission, goals, and plans. The Multi-Year Program Plan was an integral part of the 2022 Peer Review, providing reviewers insight and guidance on the office’s strategy to which WPTO-funded projects must align.

13 HYDRO ENERGY↗