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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 91 records · Page 5

DS-GL: Advancing Graph Learning via Harnessing the Power of Nature within Dynamic Systems

With the rapid digitization of the world, an increasing number of real-world applications are turning to nonEuclidean data, modeled as graphs. Due to their intrinsic high complexity and irregularity, learning from graph data demands tremendous computational power. Recently, CMOS-compatible Ising machines, i.e., dynamic systems composed of CMOS components, have emerged as a new approach that harnesses the inherent power of natural annealing within dynamic systems to efficiently resolve binary optimization problems and have been adopted for traditional graph computation, such as max-cut. However, when performing complex Graph Learning (GL) tasks, Ising machines face significant hurdles: (i) they are inherently binary and thus ill-suited for real-valued problems; (ii) their expensive all-to-all coupling network that guarantees effective natural annealing poses daunting scalability concerns. To address these challenges, this paper proposes a nature-powered graph learning framework dubbed DS-GL, which is the first effort to transform the process of solving graph learning problems into the natural annealing process within a parameterized dynamic system embodied as a CMOS chip. To tackle the two major hurdles, DS-GL first augments the Ising machine architecture to modify the self-reaction term of its Hamiltonian function from linear to quadratic, effectively serving as an energy regulator. This adjustment maintains the system’s original physical interpretation while enabling it to process continuous, real-valued data. Second, to address the scaling issue, DS-GL further upgrades the real-valued dense Ising machine by decomposing it into a mesh-based multi-PE dynamic system that supports efficient distributed spatial-temporal co-annealing across different PEs through sparse interconnects. By exploiting the inherent sparsity and component structures in real-world graphs, DS-GL is able to map complex graph learning tasks onto the scalable dynamic system while maintaining high accuracy. Evaluations with three diverse GL applications across six real-world datasets, including traffic flow and COVID-19 prediction, show that DS-GL can deliver from 102× to 106× speedups and 500× energy reduction over Graph Neural Networks on GPUs, with 5% - 20% accuracy enhancement.

Song, Ruibing↗

Switching Device-Cognizant Sequential Distribution System Restoration

This paper presents an optimization framework for sequential reconfiguration using an assortment of switching devices and repair process in distribution system restoration. Compared to existing studies, this paper considers types, capabilities and operational limits of different switching devices, making it applicable in practice. We develop a novel multi-phase method to find the optimal sequential operation of various switching devices and repair faulted areas. We consider circuit breakers, reclosers, sectionalizers, load breaker switches, and fuses. The switching operation problem is decomposed into two mixed-integer linear programming (MILP) subproblems. The first subproblem determines the optimal network topology and estimates the number of steps to reach that topology, while the second subproblem generates a sequence of switching operations to coordinate the switches. For repairing the faults, we design an MILP model that dispatches repair crews to clear faults and replace melted fuses. After clearing a fault, we update the topology of the network by generating a new sequence of switching operations, and the process continues until all faults are cleared. To improve the computational efficiency, a network reduction algorithm is developed to group line sections, such that only switchable sections are present in the reduced network. The proposed method is validated on the IEEE 123-bus and 8500-bus systems.

distribution system↗

Accelerated Creep Test Qualification of Creep-Resistance Using the Wilshire–Cano–Stewart Constitutive Model and Stepped Isostress Method

In this paper, a qualification of accelerated creep-resistance of Inconel 718 is assessed using the novel Wilshire–Cano–Stewart (WCS) model and the stepped isostress method (SSM) and predictions are made to conventional creep data. Conventional creep testing is a long-term continuous process; in fact, the ASME B&PV III requires that 10,000+ h of experiments must be conducted to each heat for materials employed in boilers and/or pressure vessel components. This process is costly and not feasible for rapid development of new materials. As an alternative, accelerated creep testing techniques have been developed to reduce the time needed to characterize the creep resistance of materials. Most techniques are based upon the time-temperature-stress superposition principle that predicts minimum-creep-strain-rate (MCSR) and stress-rupture behaviors but lack the ability to predict creep deformation and consider deformation mechanisms that occur for experiments of longer duration. The SSM has been developed, which enables the prediction of creep deformation response as well as reduce the time needed for qualification of materials. The SSM approach has been successful for polymer, polymeric composites, and recently has been introduced for metals. In this study, the WCS constitutive model, calibrated to SSM test data, qualifies the creep resistance of Inconel 718 at 750 °C and predictions are compared to conventional creep testing data. The WCS model has proven to make long-term predictions for stress-rupture, MCSR, creep deformation, and damage in metallic materials. The SSM varies stress levels after time interval adding damage to the material, which can be tracked by the WCS model. The SSM data is calibrated into the model and the WCS model generates realistic predictions of stress-rupture, MSCR, damage, and creep deformation. The calibrated material constants are used to generate predictions of stress-rupture and are postaudit validated using the National Institute of Material Science database. Similarly, the MCSR predictions are compared from previous studies. Finally, the creep deformation predictions are compared with real data and is determined that the results are well in between the expected boundaries. Material characterization and mechanical properties can be determined at a faster rate and with a more cost-effective method. This is beneficial for multiple applications such as in additive manufacturing, composites, spacecraft, and industrial gas turbines.

42 ENGINEERING↗

Modeling scale-up of particle coating by atomic layer deposition

Atomic layer deposition (ALD) is a promising technique to functionalize particle surfaces for energy applications including energy storage, catalysis, and decarbonization. In this work, we present a set of models of ALD particle coating to explore the transition from lab scale to manufacturing. Our models encompass the main particle coating manufacturing approaches including rotary bed, fluidized bed, and continuously vibrating reactors. These models provide key metrics, such as throughput and precursor utilization, required to evaluate the scalability of ALD manufacturing approaches and their feasibility in the context of energy applications. Our results show that designs that force the precursor to flow through fluidized particles transition faster to a transport-limited regime where throughput is maximized. They also exhibit higher precursor utilization. In the context of continuous processes, our models indicate that it is possible to achieve self-extinguishing processes with almost 100% precursor utilization. A comparison with past experimental results of ALD in fluidized bed reactors shows excellent qualitative and quantitative agreement.

25 ENERGY STORAGE↗

Aligned 2D carbon nanotube liquid crystals for wafer-scale electronics

Semiconducting carbon nanotubes promise faster performance and lower power consumption than Si in field-effect transistors (FETs) if they can be aligned in dense arrays. Here, we demonstrate that nanotubes collected at a liquid/liquid interface self-organize to form two-dimensional (2D) nematic liquid crystals that globally align with flow. The 2D liquid crystals are transferred onto substrates in a continuous process generating dense arrays of nanotubes aligned within ±6°, ideal for electronics. Nanotube ordering improves with increasing concentration and decreasing temperature due to the underlying liquid crystal phenomena. The excellent alignment and uniformity of the transferred assemblies enable FETs with exceptional on-state current density averaging 520 μA μm -1 at only -0.6 V, and variation of only 19%. FETs with ion gel top gates demonstrate subthreshold swing as low as 60 mV decade -1 . Deposition across a 10-cm substrate is achieved, evidencing the promise of 2D nanotube liquid crystals for commercial semiconductor electronics.

42 ENGINEERING↗

Data from Reactive Species and Reaction Pathways for the Oxidative Cleavage of 4-Octene and Oleic Acid with H2O2 over Tungsten Oxide Catalysts

Oxidative cleavage of carbon–carbon double bonds (C═C) in alkenes and fatty acids produces aldehydes and acids valued as chemical intermediates. Solid tungsten oxide catalysts are low cost, nontoxic, and selective for the oxidative cleavage of C═C bonds with hydrogen peroxide (H2O2) and are, therefore, a promising option for continuous processes. Despite the relevance of these materials, the elementary steps involved and their sensitivity to the form of W sites present on surfaces have not been described. Here, we combine in situ spectroscopy and rate measurements to identify significant steps in the reaction and the reactive species present on the catalysts and examine differences between the kinetics of this reaction on isolated W atoms grafted to alumina and on those exposed on crystalline WO3 nanoparticles. Raman spectroscopy shows that W–peroxo complexes (W–(η2-O2)) formed from H2O2 react with alkenes in a kinetically relevant step to produce epoxides, which undergo hydrolysis at protic surface sites. Subsequently, the CH3CN solvent deprotonates diols to form alpha-hydroxy ketones that react to form aldehydes and water following nucleophilic attack of H2O2. Turnover rates for oxidative cleavage, determined by in situ site titrations, on WOx–Al2O3 are 75% greater than those on WO3 at standard conditions. These differences reflect the activation enthalpies (ΔH‡) for the oxidative cleavage of 4-octene that are much lower than those for the isolated WOx sites (36 ± 3 and 60 ± 6 kJ·mol–1 for WOx–Al2O3 and WO3, respectively) and correlate strongly with the difference between the enthalpies of adsorption for epoxyoctane (ΔHads,epox), which resembles the transition state for epoxidation. The WOx–Al2O3 catalysts mediate oxidative cleavage of oleic acid with H2O2 following a mechanism comparable to that for the oxidative cleavage of 4-octene. The WO3 materials, however, form only the epoxide and do not cleave the C–C bond or produce aldehydes and acids. These differences reflect the distinct site requirements for these reaction pathways and indicate that acid sites required for diol formation are strongly inhibited by oleic acids and epoxides on WO3 whereas the Al2O3 support provides sites competent for this reaction and increase the yield of the oxidative cleavage products.

Catalysis↗

Continuous removal of fission products from molten-salt-fueled reactors

A method based on separation of volatilized molten salt (MS) components, including by mass, is being developed to extract fission products (FPs) from operating molten-salt reactors. The initial application of this method is for accelerator-driven subcritical reactors fueled by (fluorinated molten salt) spent nuclear fuel (UNF) from any past, present, or future reactor. The actinides remain in the subcritical reactor to produce profitable energy and be transmuted while the extracted FPs can be buried without long-lived actinides such that a geologic repository is not necessarily needed to close the nuclear fuel cycle. By removing neutron-absorbing FPs and operating sub-critically, where the restrictive link between operation and criticality is broken, it is possible to envision complete burnup of the UNF fuel. The game-changing feature of continuously processing the molten salt inside the reactor while the reactor operates eliminates the need for a separate reprocessing plant. This feature also simultaneously improves the neutronics of the reactor, increasing the burnup of the fuel and extending its useful life for generating energy. Nuclear nonproliferation and need for geologic repositories are addressed by keeping actinides inside the reactor containment until they are consumed. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Information integrated glass module fabricated by integrated additive and subtractive manufacturing

In this Letter, we report a novel integrated additive and subtractive manufacturing (IASM) method to fabricate an information integrated glass module. After a certain number of glass layers are 3D printed and sintered by direct C O 2 laser irradiation, a microchannel will be fabricated on top of the printed glass by integrated picosecond laser, for intrinsic Fabry–Perot interferometer (IFPI) optical fiber sensor embedment. Then, the glass 3D printing process continues for the realization of bonding between optical fiber and printed glass. Temperature sensing up to 1000°C was demonstrated using the fabricated information integrated module. In addition, the long-term stability of the glass module at 1000°C was conducted. Enhanced sensor structure robustness and harsh temperature sensing capability make this glass module attractive for harsh environment structural health monitoring.

Zhang, Qi (ORCID:0000000268655981)↗

Rescuing Legacy Seismic Data FAIR’ly

The Earth’s interconnected and dynamical systems operate on a spectrum of time scales from millions of years to fractions of a second. While the evolution of the Earth and its deep interior are beyond the time span of human observations, understanding of many natural phenomena operating on human times scales have benefited from direct scientific observation. Continuous processes and those that are repeated over time shape the environment we live in. Furthermore, as we are faced with unprecedented changes to climate, understanding the deeper patterns and trends in natural systems through time have taken on new importance (Research Data Alliance, 2019). The call to reuse data is driven not only by economics but also by the recognition of their complete uniqueness (observations of natural systems are not repeatable) and scientific value in enhancing current understandings as well as potential new discoveries especially in the era of big data. These data are part of the historical record and our scientific heritage (American Geophysical Union, 2019) not only in explicitly recording earth observations but implicitly recording, and thus providing the evidence that addresses the manner in which science was conducted.

58 GEOSCIENCES↗

A Mitigation Strategy for the Prediction Inconsistency of Neural Phase Pickers

Neural phase pickers—neural networks designed and trained to pick seismic phase arrivals—have proven to be a powerful tool for developing earthquake catalogs. However, these pickers suffer from prediction inconsistency in which the results they produce change, sometimes substantially, even under a small perturbation to the input waveform. This problem has not been addressed by the developers and users of these pickers. In this study, we show how prediction inconsistency can negatively affect the completeness of earthquake catalogs developed using neural phase pickers. Further, we show that simply using a small step size for the sliding window when processing continuous waveform data and aggregating the results significantly mitigates this problem. We also highlight the importance of training datasets for increasing the consistency and other performance metrics.

58 GEOSCIENCES↗

Soil Sample Plan in Support of the Site 300 Explosives Waste Treatment Facility Ecological Risk Assessment Pursuant to the Hazardous Waste Facility Permit, Part V, Special Condition #14 a-f. August 2020

The Department of Toxic Substances Control issued the Final Hazardous Waste Facility Permit to Lawrence Livermore National Laboratory, Site 300 in 2017. As part of the continual process to ensure waste treatment emissions are not impacting ecological receptors, LLNL analyzed soil samples in the vicinity of the Explosive Waste Treatment Facility (EWTF) Burn Units (i.e., Burn Cage and Burn Pan) and the Detonation Pad. Soil samples were analyzed by EPA Solid Waste 846 Methods for furans, explosives, metals, and semivolatile compounds. In all samples, furans, explosives, and semi-volatile organic compounds were not detected. Metals were detected at concentrations below background levels. This soil sample plan will sample the same four downwind areas of the Burn Units and the same downwind areas of the Detonation, as well as including four new sample locations. The four new locations will be located to the northeast and southwest of the Burn Units and Detonation (as shown in Figure 3). The constituents to be analyzed are in Tables 2 and 3. Perchlorate was not identified as a constituent of concern in the 2007 Soil Sampling Plan. However, for this plan, all soil samples will be analyzed for perchlorate. After completion of the sampling event, a soil sample report will be submitted to DTSC in accordance with requirements specified in the Hazardous Waste Facility Permit, Part V, Special Conditions 16 a-f. This proposed soil sampling plan will be fully implemented no later than one year after receiving DTSC approval, in accordance with the Hazardous Waste Facility Permit, Part V, Special Condition 15.

54 ENVIRONMENTAL SCIENCES↗

Soil Sample Workplan in Support of the Site 300 Explosives Waste Treatment Facility Ecological Risk Assessment Pursuant to the Hazardous Waste Facility Permit (Part V, Special Condition #14 a-f)

The Department of Toxic Substances Control issued the Final Hazardous Waste Facility Permit to Lawrence Livermore National Laboratory, Site 300 in 2017. As part of the continual process to ensure waste treatment emissions are not impacting ecological receptors, LLNL analyzed soil samples in the vicinity of the Explosive Waste Treatment Facility (EWTF) Burn Units (i.e., Burn Cage and Burn Pan) and the Detonation Pad. Soil samples were analyzed by EPA Solid Waste 846 Methods for furans, explosives, metals, and semi-volatile compounds. In all samples, furans, explosives, and semi-volatile organic compounds were not detected. Metals were detected at concentrations below background levels. This soil sample plan will sample the same four downwind areas of the Burn Units and the same downwind areas of the Detonation, as well as including four new sample locations. The four new locations will be located to the northeast and southwest of the Burn Units and Detonation (as shown in Figure 3). The constituents to be analyzed are in Tables 7 and 8. Perchlorate was not identified as a constituent of concern in the 2007 Soil Sampling Plan. However, for this plan, all soil samples will be analyzed for perchlorate. Nitrate and all CAM17 metals have been added to the sampling plan to comply with DTSC comments received in correspondence dated June 4, 2021. After completion of the sampling event, a soil sample report will be submitted to DTSC in accordance with requirements specified in the Hazardous Waste Facility Permit, Part V, Special Conditions 16 a-f. This proposed soil sampling plan will be fully implemented no later than one year after receiving DTSC approval, in accordance with the Hazardous Waste Facility Permit, Part V, Special Condition 15.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Development and Testing of an Integrated Acid Mine Drainage (AMD) Treatment and Rare Earth/Critical Mineral Plant

The overall objective of this project was to design, construct, and test a pilot-scale continuous process for efficiently treating acid mine drainage (AMD) while producing rare earth element/critical mineral (REE/CM) concentrates. The process technology evaluated in this project included two distinct operations: 1. an upstream pre-concentration unit that treats raw AMD to environmentally compliant discharge standards while capturing an REE/CM preconcentrate, and 2. a downstream REE purification process that further enriches the pre-concentrate while producing mixed or partially separated rare earth oxides (REOs). The project team members successfully completed all of the proposed goals of the project and advanced the technology readiness levels (TRL) of the constituent operations to TRL 7 for the upstream concentration unit (full-scale system demonstration) and TRL 6 for the downstream purification process (pilot-scale demonstration).

01 COAL, LIGNITE, AND PEAT↗

Just Transition Principles: Prepared for the APEC Energy Working Group Workshop on Promoting a Just Energy Transition

A global energy transition from fossil energy to clean energy is unfolding. Just transition is an iterative, continuous process of moving from a fossil-fuel economy to a green economy that provides decent, productive, and ecologically sustainable livelihoods; nurtures social dialogue; and equitably distributes costs and benefits of the energy system. It is aimed at supporting affected workers and communities and affirms that the transition is towards a more equitable energy system. Though the Asia-Pacific Economic Cooperation (APEC) region as a whole is largely representative of global energy transition trends, APEC’s member economies – and communities within them – will have their own transition nuances. Approaches to just transition must therefore recognize both the global and the local transition dynamics. The report offers eight just transition principles that can help inform work that assures the current energy transition, and its future iterations, are fair and equitable.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Characterization of Carbon Foam Products Made from Coal at Atmospheric Pressure

Carbon foam products are currently manufactured on a commercial scale utilizing a high-pressure autoclave in batch mode. In an effort to increase manufacturing speed and reduce cost, carbon foam products (both panels and aggregates) were produced at atmospheric pressure in a continuous belt kiln. Here, the microstructure, properties, and performance of these materials were characterized and assessed in various applications. Lightweight aggregate was explored for use as a proppant, as well as it use in concrete and asphalt. The thermal conductivity, water permeability, and fire resistance of panels were evaluated, and its performance with respect to screw pullout was compared against conventional building materials. Some interesting performance aspects and potential for future work was revealed. This work was supported by a cooperative agreement with the Department of Energy – National Energy Technology Laboratory (DE-FOA-0002185, Area of Interest 4: Coal-Derived Carbon Foam Produced via a Continuous Process, award number DE-FE-0031992).

01 COAL, LIGNITE, AND PEAT↗

Fabrication of uranium nitride

A method of producing uranium nitride (e.g., uranium mononitride) and/or uranium-containing intermediates that can be used to further produce uranium nitride includes reacting a reaction mixture comprising uranium carbide with a gas comprising hydrogen and nitrogen, cooling the reaction mixture to a temperature suitable to produce a phase comprising U2N3, and heating the reaction mixture to a temperature suitable to convert the phase comprising U2N3 to a phase comprising UN. The method produces highly purified UN, is insensitive to excess carbon reactants, and can be readily integrated into existing uranium production facilities as part of a continuous process.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

ACCELERATED CREEP TEST (ACT) QUALIFICATION OF CREEP RESISTANCE USING THE WCS CONSTITUTIVE MODEL AND STEPPED ISOSTRESS METHOD (SSM)

In this study, a qualification of accelerated creep-resistance of Inconel 718 is assessed using the novel Wilshire-Cano-Stewart (WCS) model and the stepped isostress method (SSM) and predictions are made to conventional creep data. Conventional creep testing (CCT) is a long-term continuous process, in fact, the ASME B&PV III requires that 10,000+ hours of experiments must be conducted to each heat for materials employed in boilers and/or pressure vessel components. This process is costly and not feasible for rapid development of new materials. As an alternative, accelerated creep testing techniques have been developed to reduce the time needed to characterize the creep resistance of materials. Most techniques are based upon the time-temperature-stress superposition principle (TTSSP) that predicts minimum-creep-strain-rate (MCSR) and stress-rupture behaviors but lack the ability to predict creep deformation and consider deformation mechanisms that occur for experiments of longer duration. The stepped isostress method (SSM) has been developed which enables the prediction of creep deformation response as well as reduce the time needed for qualification of materials. The SSM approach has been successful for polymer, polymeric composites, and recently has been introduced for metals. In this study, the WCS constitutive model, calibrated to SSM test data, qualifies the creep resistance of Inconel 718 at 750°C and predictions are compared to CCT data. The WCS model has proven to make long-term predictions for stress-rupture, minimum-creep-strain-rate (MCSR), creep deformation, and damage in metallic materials. The SSM varies stress levels after time interval adding damage to the material, which can be tracked by the WCS model. The SSM data is calibrated into the model and the WCS model generates realistic predictions of stress-rupture, MSCR, damage, and creep deformation. The calibrated material constants are used to generate predictions of stress-rupture and are post-audit validated using the National Institute of Material Science (NIMS) database. Similarly, the MCSR predictions are compared from previous studies. Finally the creep deformation predictions are compared with real data and is determined that the results are well in between the expected boundaries. Material characterization and mechanical properties can be determined at a faster rate and with a more cost-effective method. This is beneficial for multiple applications such as in additive manufacturing, composites, spacecraft, and Industrial Gas Turbines (IGT).

36 MATERIALS SCIENCE↗

Adaptive time scaling for accelerating explicit finite element analysis

A method for accelerating an explicit finite element analysis (FEA) simulation of a modeled system or process includes performing an initial iteration of the FEA simulation according to a baseline time interval via an FEA computing network, and calculating a criteria ratio of a predetermined set of scaling criteria for the modeled system or process. The method includes determining a time-scaling factor using the criteria ratio via the FEA computing network as a function of the criteria ratio, and then applying the time-scaling factor to the baseline time interval to generate a scaled time interval. The scaled time interval accelerates simulation time of the FEA simulation. The method includes performing a subsequent iteration of the explicit FEA simulation at the scaled time interval using the FEA computing network. The process continues for subsequent iterations, with the time-scaling factor adapting with each iteration.

Chen, Jian↗