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DOE OSTI2022

Capability to Process and Characterize Uranium-Zirconium (U-Zr) and Uranium-Zirconium-Plutonium (U-Zr-Pu) Alloys

This work investigated co-reduction of anhydrous compounds of uranium, zirconium, and plutonium to produce uranium rich ternary nuclear fuel alloys. Metallothermic co-reduction is a novel method to produce all-metal nuclear fuels. Metal fuels offer thermal, fissility, compatibility, and security benefits over oxide fuels. Alloys of uranium–10% zirconium with plutonium contents of 0%, 2.5%, 5%, and 10% were produced, with yields of 60–85% of theoretical values in a traditional calciothermic bomb reduction apparatus. Microstructural analysis indicated transformation of uranium phase from gamma to beta and then alpha, in alternating lamellar plates typical of alpha phase uranium and delta phase uranium-zirconium, with zirconium and carbides at prior grain boundaries. Some of the analyses were inconclusive in their results and therefore require additional testing. Successful ternary co-reduction would simplify production of homogeneous feedstock and thereby streamline manufacture of homogeneous ternary metallic fuel.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

Self-Sacrificial Template Synthesis of Fe-N-C Catalysts with Dense Active Sites Deposited on A Porous Carbon Network for High Performance in PEMFC

In this study, iron-nitrogen-carbon (Fe-N-C) single-atom catalysts are promising sustainable alternatives to the costly and scarce platinum (Pt) to catalyze the oxygen reduction reactions (ORR) at the cathode of proton exchange membrane fuel cells (PEMFCs). However, Fe-N-C cathodes for PEMFC are made thicker than Pt/C ones, in order to compensate for the lower intrinsic ORR activity and site density of Fe-N-C materials. The thick electrodes are bound with mass transport issues that limit their performance at high current densities, especially in H 2 /air PEMFCs. Practical Fe-N-C electrodes must combine high intrinsic ORR activity, high site density, and fast mass transport. Herein, it has achieved an improved combination of these properties with a Fe-N-C catalyst prepared via a two-step synthesis approach, constructing first a porous zinc-nitrogen-carbon (Zn-N-C) substrate, followed by transmetallating Zn by Fe via chemical vapor deposition. A cathode comprising this Fe-N-C catalyst has exhibited a maximum power density of 0.53 W cm -2 in H 2 /air PEMFC at 80 °C. The improved power density is associated with the hierarchical porosity of the Zn-N-C substrate of this work, which is achieved by epitaxial growth of ZIF-8 onto g-C 3 N 4 , leading to a micro-mesoporous substrate.

25 ENERGY STORAGE↗

DOE OSTI2022

Trichoderma species isolated from grapevine with tolerance towards common copper fungicides used in viticulture for plant protection

Abstract BACKGROUND Copper‐containing fungicides are applied broadly in organic viticulture against downy mildew caused by Plasmopara viticola . Although long‐term application of copper‐based fungicides is associated with ecotoxic effects on the environment, their use in viticulture is required until sustainable alternatives are available. Trichoderma spp. might be a promising approach to fungicide reduction while promoting plant growth and development and displaying biocontrol activity. This study aims to examine the tolerance and compatibility of Trichoderma spp. to copper fungicides. This work contributes to the development of a spray application consisting of a copper‐tolerant Trichoderma sp. combined with a downscaled copper fungicide rate against P. viticola . RESULTS Trichoderma spp. isolated from grapevine wood in vineyards were identified and used for tolerance screening in various concentrations of copper fungicides. Copper hydroxide was identified as being highly compatible with Trichoderma . Two Trichoderma candidates, T. koningiopsis and T. harzianum , showed high copper tolerance in mycelial growth and germination tests, and were adapted to 2.85 g Cu L −1 of the selected fungicide. Microscopic investigations showed the attachment of copper compounds to fungal cell walls and copper uptake within the cytoplasm. In the case of high tolerance, large‐scale copper uptake was prevented. CONCLUSION Our findings identified two highly copper‐tolerant Trichoderma isolates with natural adaptation to the vineyard ecosystem, which could be further tested as biostimulants and biocontrol agents, combined with a reduced fungicide rate for sustainable plant protection. © 2022 Society of Chemical Industry.

Küpper, Verena↗

DOE OSTI2025

Design of Twisted Two-Dimensional Heterostructures and Performance Regulation Descriptor for Electrocatalytic Ammonia Production from Nitric Oxide

The electrocatalytic reduction of nitric oxide (NO) to ammonia (NH 3 ) represents an attractive alternative for valorizing waste NO streams (NORR). However, discovering efficient catalysts for NO-to-NH 3 conversion remains challenging. We have designed metal-intercalated twisted graphene-BN heterostructures, in which metal atoms act as electron-transfer bridges. The twisted configuration facilitates cross-interface charge transfer, redistributing electrons from the graphene–metal interface to the metal–BN interface and BN surface. This electronic modulation enables boron atom adjacent to the metal center in BN to serve as active sites, promoting strong chemisorption and enhanced activation of NO. After high-throughput screening of the stability and NO capture ability of various transition metal-intercalated twisted heterostructures, we have investigated systematically the NORR pathways across 30 candidates. The results show that the rBN-Ti-Gθ and rBN-V-Gθ heterostructures exhibit exceptional NO-to-NH 3 catalytic performance under optimized twisting conditions. Additionally, using sure independence screening and sparsifying operator (SISSO) for model training, we propose a descriptor and establish a relationship between the twist angle and catalytic activity. This study bridges the gap in applying twisted heterostructures to NORR electrocatalysis and provides new insights and strategies for designing high-performance NORR catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2019

Comparing scenario reduction methods for stochastic transmission planning

Not provided.

Engineering↗

DOE OSTI2021

Bilayer twisting as a mean to isolate connected flat bands in a kagome lattice throughWigner crystallization*

The physics of flat band is novel and rich but difficult to access. In this regard, recently twisting of bilayer van der Waals (vdW)-bounded two-dimensional (2D) materials has attracted much attention, because the reduction of Brillouin zone will eventually lead to a diminishing kinetic energy. Alternatively, one may start with a 2D kagome lattice, which already possesses flat bands at the Fermi level, but unfortunately these bands connect quadratically to other (dispersive) bands, leading to undesirable effects. Here, we propose, by first-principles calculation and tight-binding modeling, that the same bilayer twisting approach can be used to isolate the kagome flat bands. As the starting kinetic energy is already vanishingly small, the interlayer vdW potential is always sufficiently large irrespective of the twisting angle. As such the electronic states in the (connected) flat bands become unstable against a spontaneous Wigner crystallization, which is expected to have interesting interplays with other flat-band phenomena such as novel superconductivity and anomalous quantum Hall effect.

Physics↗

DOE OSTI2020

NISQ+: Boosting quantum computing power by approximating quantum error correction

Quantum computers are growing in size, and design decisions are being made now that attempt to squeeze more computation out of these machines. In this spirit, we design a method to boost the computational power of near-term quantum computers by adapting protocols used in quantum error correction to implement "Approximate Quantum Error Correction (AQEC)." By approximating fully-fledged error correction mechanisms, we can increase the compute volume (qubits × gates, or "Simple Quantum Volume (SQV)") of near-term machines. The crux of our design is a fast hardware decoder that can approximately decode detected error syndromes rapidly. Specifically, we demonstrate a proof-of-concept that approximate error decoding can be accomplished online in near-term quantum systems by designing and implementing a novel algorithm in Single-Flux Quantum (SFQ) superconducting logic technology. This avoids a critical decoding backlog, hidden in all offline decoding schemes, that leads to idle time exponential in the number of T gates in a program. Our design utilizes one SFQ processing module per physical qubit. Employing state-of-the-art SFQ synthesis tools, we show that the circuit area, power, and latency are within the constraints of contemporary quantum system designs. Under pure dephasing error models, the proposed accelerator and AQEC solution is able to expand SQV by factors between 3,402 and 11,163 on expected near-term machines. The decoder achieves a 5% accuracy-threshold and pseudo-thresholds of ~ 5%,4.75%,4.5%, and 3.5% physical error-rates for code distances 3,5,7, and 9. Decoding solutions are achieved in a maximum of ~20 nanoseconds on the largest code distances studied. By avoiding the exponential idle time in offline decoders, we achieve a 10x reduction in required code distances to achieve the same logical performance as alternative designs.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2016

Improved Quasi-Static Method: IQS Method Implementation for CFEM Diffusion in Rattlesnake

The improved quasi-static (IQS) method is a transient spatial kinetics method that involves factorizing flux into space- and time-dependent components. These components include the flux’s power and shape. Power is time-dependent, while the shape is both space- and time-dependent. However, the impetus of the method is the assumption that the shape is only weakly dependent on time; therefore, the shape may not require computation at every time step, invoking the quasi-static nature. This paper describes the implementation and testing of IQS as an alternative kinetics solver within Rattlesnake to provide improved time performance with minimal reduction in accuracy.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2019

Cryogenic Carbon Capture Development (Final Report)

This project extends and leverages the work completed under funding from ARPA-E and other sources by exploring aspects of the Cryogenic Carbon Capture™ (CCC) process and issues discovered during those projects, but that were not within the scope or budget of previous projects or that became apparent during field tests. Our successful completion of the tasks outlined in this project has increased the reliability, efficiency, and scalability of the CCC process and we are better prepared for pilot-scale testing. The first phase of this project improved key areas of the process through iterative design and experiment, culminating with recommendations for improvements to the existing skid-scale system developed under non-federal funding. The second phase of this project implemented the improved unit operations into the Cryogenic Carbon Capture External Cooling Loop (CCC ECL™) skid and field tests the improved system at a coal-fired power plant. The specific areas of work in this project are: Budget Period 1: 1) Selection of the most energy-efficient drying system for ambient-pressure flue gas. Sustainable Energy Solutions, LLC (SES) has successfully demonstrated a dryer that removes bulk water using a low-temperature brine to remove about 99% of the water followed by a mol sieve 3A desiccant dryer to remove the remaining 1% water; 2) Selection and demonstration of efficient solution to fouling due to dissolved CO 2 . SES has tested several commercial heat exchangers that purport to be able to handle fouling issues similar to those experienced in the contact liquid chiller. Replicated tests using the CCC ECL™ skid and dimpled brazed plate heat exchangers demonstrate that quick throttling of refrigerant combined with a burst of clean gas mitigate the fouling caused by CO 2 solubility in contact liquid with only minor increases in parasitic load. SES models indicate that parasitic load would increase by approximately 0.0125 GJ/tonne, an order of magnitude less than what was determined to be the maximum allowable additional parasitic load caused by this system; 3) Selection and demonstration of efficient and scalable solid–liquid separation system. The screw press technology met or exceeded the 70% solids loading benchmark during several test runs exceeding 24 hours on the CCC ECL™ skid. The average solids loading during the entire 50-hour run was 67%. The energy demand for this system is less than 0.1 GJ e /tonne of CO 2 processed; 4) Optimize design and demonstration of patented desublimating heat exchangers. We designed and built a hybrid spray tower that was tested over many hundreds of hours and a 50-hour continuous test run was completed capturing over 0.5 tonne CO 2 /day at >90% capture; (5) Plan for safe dilution of oxygen-depleted, cleaned flue-gas stream. The AERSCREEN simulator developed by the EPA modeled the dispersion of oxygen-depleted flue gas from the CCC process at a commercial plant. The results indicate that this plan effectively mitigates the flue gas hazards; (6) Simulation of and experimental work related to multi-pollutant capture. SES programmed an upgrade to its solid/vapor/liquid equilibrium (SVLE) algorithm. This enables simultaneous modeling of multiple pollutants (i.e., CO 2 , SO x , NO x , Hg, HCl). Budget Period 2; (7) Modify the CCC ECL™ skid for field testing and complete shakedown testing. The plans for modifying the CCC ECL™ skid were finalized and put into place. Shakedown testing of the updated CCC ECL™ skid occurred at SES using closed-loop mode (i.e., using a synthetic flue gas consisting of only N 2 and CO 2 ) and at the Hunter Power Plant using flue gas from the coal-fired boiler. Shakedown testing took longer than expected due to delays in receiving equipment and unexpected equipment performance in the field; (8) Operate the CCC ECL™ skid in the field. Longer testing of the CCC ECL™ skid occurred at the Hunter Power Plant. Multiple tests exceeding 35 hours were completed, with a total of over 600 hours of CO 2 capture completed using flue gas at the Hunter Power Plant with an average CO 2 capture rate of over 91% during those hours. Extensive notes and documentation were acquired informing improved methods for controls, startup, operation, and shut down; (9) Determine figures of merit and quantify process improvement. SES defined figures of merit for unit operation performance and overall CCC ECL™ process performance. All figures of merit were achieved or surpassed, except for 500 continuous hours of demonstration at the Hunter Power Plant; (10) Complete an Environmental Health and Safety Risk assessment by a third party. Tri-State completed an Environmental Health and Safety Risk assessment; (11) Update techno-economic analysis with third-party validation. The techno-economic analysis has been completed. It confirms the potential large reduction in energy and cost of the CCC process compared with leading alternatives and that the estimates and estimation techniques are reliable.

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2021

Clean Cities Coalitions 2019 Activity Report

The U.S. Department of Energy’s (DOE) Office of Energy Efficiency and Renewable Energy’s Vehicle Technologies Office (VTO) works with local Clean Cities coalitions across the country as part of its Technology Integration Program. These efforts help businesses and consumers make smarter/more-informed transportation energy choices that can save energy, lower costs, reduce reliance on imported oil, and reduce air emissions. This report summarizes the success and impact of coalition activities based on data and information provided in their annual progress reports.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2021

Clean Cities Coalitions 2020 Activity Report

The U.S. Department of Energy's (DOE) Office of Energy Efficiency and Renewable Energy's Vehicle Technologies Office (VTO) works with local Clean Cities coalitions across the country as part of its Technology Integration Program. These efforts help businesses and consumers make smarter/more-informed transportation energy choices that can save energy, lower costs, reduce reliance on imported oil, and reduce air emissions. This report summarizes the success and impact of coalition activities based on data and information provided in their annual progress reports.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2019

Energy Consumption and CO 2 Emissions in Ironmaking and Development of a Novel Flash Technology

The issues of energy consumption and CO 2 emissions of major ironmaking processes, including several new technologies, are assessed. These two issues are interconnected in that the production and use of fuels to generate energy add to the total amount of CO 2 emissions and the efforts to sequester or convert CO 2 require energy. The amounts of emissions and energy consumption in alternate ironmaking processes are compared with those for the blast furnace, currently the dominant ironmaking process. Although more than 90% of iron production is currently through the blast furnace, intense efforts are devoted to developing alternative technologies. Recent developments in alternate ironmaking processes, which are largely driven by the needs to decrease CO 2 emissions and energy consumption, are discussed in this article. This discussion will include the description of the recently developed novel flash ironmaking technology. This technology bypasses the cokemaking and pelletization/sintering steps, which are pollution prone and energy intensive, by using iron ore concentrate. This transformational technology renders large energy saving and decreased CO 2 emissions compared with the blast furnace process. Economic analysis indicated that this new technology, when operated using natural gas, would be economically feasible. As a related topic, we will also discuss different methods for computing process energy and total energy requirements in ironmaking.

36 MATERIALS SCIENCE↗

NASA NTRS1981

Advanced solar concentrator: Preliminary and detailed design

A single reflection point focusing two-axis tracking paraboloidal dish with a reflector aperture diameter of approximately 11 m has a reflective surface made up of 64 independent, optical quality gores. Each gore is a composite of a thin backsilvered mirror glass face sheet continuously bonded to a contoured substrate of lightweight, rigid cellular glass. The use of largely self-supporting gores allows a significant reduction in the weight of the steel support structure as compared to alternate design concepts. Primary emphasis in the preliminary design package for the low-cost, low-weight, mass producible concentrator was placed on the design of the higher cost subsystems. The outer gore element was sufficiently designed to allow fabrication of prototype gores.

Bell, D. M.↗

NASA NTRS1981

Carbon/graphite composite material study. Appendix C: NASA studies on modification of carbon/graphite fibers and alternative materials

The feasibility of modifying resin matrix composites to reduce the potential of electrical shorting from fire released fiber was explored. The effort included modifications to or coatings for graphite fibers, alternative fibers, modifications to matrix materials, and hybrid composites. The objectives included reduction of the conductivity of the graphite fiber, char formation to reduce fiber release, glass formation to prevent fiber release, catalysis to assure fiber consumption in a fire, and replacement of the graphite fibers with nonconductive fibers of similar mechanical potential.

Source record↗

NASA NTRS1982

Cost estimates for flat plate and concentrator collector arrays

The current module and installation costs for the U.S. National Photovoltaic Program's grid-connected systems are significantly higher than required for economic viability of this alternative. Attention is accordingly given to the prospects for installed module cost reductions in flat plate, linear focus Fresnel concentrator, and point focus Fresnel concentrator candidate systems. Cost projections indicate that all three systems would meet near-term and midterm goals, provided that module costs of $2.80/W(p) and $0.70/W(p), respectively, are met. The point focus Fresnel system emerges as the most viable for the near term.

Shimada, K.↗

NASA NTRS2017

Shape Memory Alloys (SMAs) for Non-Pneumatic Tires

Conventional mobility elements, such as pneumatic tires, suffer from a number of issues related to reliability. Two of the more prevalent problems are the high likelihood of single point failure owing to puncture (i.e. flat tire), and loss of efficiency due to reduction in tire pressure over time. In order to overcome these limitations, alternative compliant tire designs not requiring pneumatics have been developed. However, although current designs have significantly reduced the aforementioned issues, they tend to have their own set of limitations. First, non-pneumatic tires designed for high load applications often have restricted envelopment capability, making their performance less than optimal, especially on uneven terrain. Second, tires designed with larger envelopment capability tend to suffer from large amounts of plasticity (permanent deformation) or failure (rupture). Both of these limitations are the direct result of the choice of material being used for the design; conventional metals undergo plastic deformation at low strain while elastomer based designs are often too rigid for the localized deformations needed for high envelopment. Recent advancements at the NASA Glenn research center in a unique class of metals know as shape memory alloys (SMAs) has opened the design space for non-pneumatic compliant tire technologies allowing designs to incorporate orders of magnitude more deformation without damage. The work presented herein highlights the advantages of using SMAs as compared to conventional metals. Additionally, the development of a unique SMA compliant tire design capable of carrying up to 8.9 kN (2000 lbf) with reversible, local deformations on the order of the side wall height will be presented.

Padula, Santo↗

NASA NTRSDate not supplied

Noise Impact Analysis for Urban Air Mobility in Dallas-Fort Worth Metroplex

This study supports re-design of airspace and procedures for management of Urban Air Mobility (UAM) fleet operations in a given metropolitan area. A goal of UAM is to maintain geographic separation of UAM flight tracks from densely populated areas in order to reduce the potential negative community impact of UAM and manage flight trajectory in anticipation of allowable noise levels and current land use. A UAM route inventory and a demographic-data-optimized topographic map are developed for the Dallas-Fort Worth metroplex to identify routes or baseline route segments for reduction of noise impact. Noise contours are computed for baseline route and alternative route design given the desired UAM demand level. The impact of UAM fleet noise is predicted based on predicted number of people and noise-sensitive facilities located inside the noise contours.

Urban Air Mobility↗

NASA NTRSDate not supplied

Noise Impact Analysis for Urban Air Mobility in Dallas-Fort Worth Metroplex

Urban Air Mobility↗