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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 145 records · Page 8

Observing the Surface Termination of LaScO 3 Perovskite Using Solid-State Nuclear Magnetic Resonance

Materials with well-defined surfaces are drawing increased attention for the design of bespoke catalysts and nanomaterials. Gaining a detailed understanding of the surfaces of these materials is an important challenge, which is often complicated by surface polymorphism and dynamic restructuring. We introduce the use of surface-enhanced NMR spectroscopy for the observation of such surfaces, focusing on LaScO 3 as an example. Here, we show that double-resonance NMR experiments correlating surface oxygen and probe molecules to the 139 La and 45 Sc nuclei at the surface reveal the material to be terminated by a ScO x monolayer. Surface-selective 17 O and 45 Sc NMR experiments further showed the material to be hydroxyl terminated and that the surface may be prone to dynamic restructuring as a result of moisture exposure. Perhaps most interestingly, surface-selective 139 La NMR experiments revealed the existence of previously undetected surface lanthanum defects, suggesting that surface-enhanced NMR may be useful as a guide in the synthesis of defect-free surfaces in the design of various nanomaterials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Novel architectures for stabilization of Mn-rich cathodes: a high-valent approach to interfaces

Lithium- and manganese-rich (LMR) layered oxides continue to generate significant interest as promising, earth-abundant cathode materials for next-generation Li-ion batteries. In spite of their attractive capacity and cost advantages, a few long-standing challenges still hamper their widespread adoption, with manganese dissolution being one of the most persistent and vexing issues. In the present study, we explore the incorporation of Sb5+ as a high-valent cation and exploit its ability to form unique lithium-rich surface and grain-boundary structures that can integrate directly with the LMR lattice. When synthesized under appropriate conditions, Sb5+ orders strongly with Li+ to form localized Li+–Sb5+ motifs, which play a key role in restructuring the surface and grain-boundary regions. These restructured regions act as protective, stabilizing entities that substantially suppress electrolyte-driven side reactions, reduce impedance growth, limit manganese dissolution, and help retain cyclable lithium during long-term electrochemical cycling. Further improvements of the electrochemical performance of Sb-treated LMR were achieved using a well-known additive to mitigate Mn dissolution and highlight the synergistic effects of combined strategies. Overall, this work showcases how high-valent elements such as Sb5+ can help tailor the surface and intergranular regions and work in synergy with other modifiers (e.g. electrolyte additives), enhancing the cycle life and practical viability of LMR cathodes for use in graphite-based full cells.

Mallick, Subhadip [Argonne National Laboratory (AN↗

NEML2 - THE NEW ENGINEERING MATERIAL MODEL LIBRARY, VERSION 2

SF-22-157 NEML2 is an extension of an earlier open source code developed at ANL (SF-xxxx) called NEML. These libraries provide tools for constructing and using models of engineering materials, with a focus on high temperature materials for nuclear reactor applications. The software include tools for setting up material models, calibrating models, storing models for later use in other simulations, and running simple "material point" simulations of the material behavior. The main difference between NEML and NEML2 is the new software has been complete restructured to run on GPUs and other accelerators in order to improve the performance of methods used to train constitutive models against data and to improve the performance of the final models in production environments, like finite element software. While over time we expect NEML2 to become more-or-less feature complete with NEML we are filing a new software disclosure because (1) the library has been complete restructured and (2) we want to host NEML2 in a separate repository.

MESSNER, MARK↗

Reducing communication in algebraic multigrid with multi-step node aware communication

Algebraic multigrid (AMG) is often viewed as a scalable [Formula: see text] solver for sparse linear systems. Yet, AMG lacks parallel scalability due to increasingly large costs associated with communication, both in the initial construction of a multigrid hierarchy and in the iterative solve phase. This work introduces a parallel implementation of AMG that reduces the cost of communication, yielding improved parallel scalability. It is common in Message Passing Interface (MPI), particularly in the MPI-everywhere approach, to arrange inter-process communication, so that communication is transported regardless of the location of the send and receive processes. Performance tests show notable differences in the cost of intra- and internode communication, motivating a restructuring of communication. In this case, the communication schedule takes advantage of the less costly intra-node communication, reducing both the number and the size of internode messages. Node-centric communication extends to the range of components in both the setup and solve phase of AMG, yielding an increase in the weak and strong scaling of the entire method.

Computer Science↗

Evaluation of the Effect of Burnup Acceleration on UO 2 Microstructure Evolution

Accelerated fuel qualification (AFQ) is a methodology by which new nuclear fuels are developed in an accelerated time frame compared with historical fuel qualification approaches. AFQ generally relies on high-fidelity physics-based modeling and simulation tools to adequately describe fuel performance as well as on revolutionary methods to accelerate burnup accumulation and collect relevant data more quickly. This report summarizes the use of advanced fuel modeling and simulation tools to evaluate microstructures from commercially irradiated fuel and microstructures from proposed MiniFuel irradiations, in which burnup accumulation is accelerated while prototypic temperature conditions are maintained. In this milestone, we used the mesoscale fuel performance code MARMOT to model the evolution of irradiated UO 2 microstructures and their potential restructuring at high burnup. The simulation conditions were informed by BISON models of both commercially irradiated fuel and MiniFuel. A first set of simulations investigated the recrystallization behavior of fully dense microstructures and showed full recrystallization at burnups as low as 52 MWd/kgU at 950°C. However, these simulations did not account for the presence of fission gas bubbles (predicted by BISON). Therefore, a second set of simulations including fission gas bubbles was performed and indicated that at the lowest temperature considered (650°C), the porous UO 2 microstructures have the highest total Gibbs free energies and are likely to recrystallize earlier than higher temperature cases (800 and 950°C), which agrees with high-burnup fuel characterization data. The results also showed that at lower temperature (650°C), the total free energies of the PWR fuel and MiniFuel microstructures are not significantly different. However, at the highest temperature (950°C), MiniFuel microstructures have a lower free energy than that of the PWR fuel microstructure. The competing effects between the temperature-dependent grain nucleation rate and the reduction of the free energy of the microstructure at higher temperature as a result of diffusion indicated that restructuring may occur at even higher temperatures than those considered in this study. In addition to the microstructure evolution modeling efforts, the burnup gradient across a single fuel specimen was also considered. This evaluation was for the VXF-15 position of the High Flux Isotope Reactor (HFIR) using the code suite HFIRCON, which was developed to automate the workflow for evaluating targets and fuel as they are irradiated in HFIR. The burnup gradient evaluation showed a dependence on both the axial and radial locations within the specimen, with a maximum difference of 1.7 between the inner and outermost radial layers. This relationship was further supported by considering the fission product speciation with respect to location within the specimen, which showed a higher concentration of 239 Pu, 240 Pu, and 241 Pu on the outer radial locations of the specimen than the center. The findings of the burnup and speciation evaluation show that some amount of self-shielding is occurring in the specimen when irradiated in the high-flux environment of HFIR; however, this impact is more pronounced for natural uranium when compared to 6% enrichment due to the higher ratio of 238 U in the specimen. Further analyses are required to understand the sensitivity of this gradient to spatial mesh and enrichment of the specimen.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Third-Party Aggregation Rulemaking in MISO and SPP Footprints

The report highlights key considerations for retail regulators in the footprints of the Southwest Power Pool (SPP) or Midcontinent Independent System Operator (MISO) in states that previously opted out of allowing third-party aggregation participation under FERC Order 719 and that may want to explore reversing the decision due to a changing policy environment under new FERC orders (i.e., 2222) and/or tightening resource adequacy constraints. Through a document review and a series of 27 interviews with regulators, aggregators, and other industry professionals, this document provides a high-level policy overview of the retail regulator’s role in a selection of processes, rules, and regulations to better understand how states have treated and/or integrated aggregators into wholesale markets. The report summarizes findings in two sections: General Findings and Specific Policy Findings. The General Findings offer high level takeaways such as the fact that 17 of the 20 states in MISO and SPP footprints opted out of third party aggregations following Order 719. Additionally, there is only one state that is fully restructured in the MISO and SPP footprints whereas the rest are vertically integrated, and the majority of third-party aggregations in the U.S. take place in restructured states outside of these footprints. Even so, third-party aggregations do take place in MISO and SPP albeit in small numbers and in an ad hoc regulatory environment. The specific policy findings delve deeper into specific examples of state actions on the topics of jurisdiction, registration and licensing, data governance, dual participation, and dispute resolution. Tables in each category organize state actions into Tiers I-III, which roughly correspond to the possible level of involvement or possible change necessary by state regulators and/or legislators to implement these actions. The tier level does not indicate any value judgement, as each state has respective regulatory limitations and each decision comes with various tradeoffs. One main tradeoff is between simplicity and quick implementation versus comprehensive and prolonged implementation. In many cases, actions in Tier I could be implemented without significant changes by relying on the use of existing processes for an aggregator context. On the other hand, many actions in Tier III are more narrowly designed to address aggregators specifically, but often require more significant changes including the involvement of additional parties through stakeholder engagement or legislative action. In some cases, these tiers are discrete. However, state regulators may also choose to progress through these various tiers sequentially as they phase in aggregators while learning from their experience. With the ability to stack bulk system level services, distributed energy resource aggregations in MISO and SPP could provide various private benefits (e.g., increased value streams to the owner) as well as societally beneficial grid services (e.g., peaking capacity, ancillary services, and other services that increase the grid’s overall operational efficiency). In deciding how to best to enable these benefits, states and retail regulators must weigh various tradeoffs if considering reversing a previous opt out.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Advanced Multiscale Microscopy Characterization of High Burnup LWR UO 2 Before and After LOCA Testing

Previous microscopy work within the campaign has observed increased porosity coupled with subgrain formation in the mid-radial region of the fuel. However, examinations of high burnup fuel taken from multiple reactors with different operating conditions have shown that this structure can move radially inward depending on the fuel operating conditions. It is currently theorized that inter- and intragranular fission gas bubble nucleation is precursory to the grain subdivision observed in the mid-radial and central regions of the fuel. Characterization of samples after loss-of-coolant accident (LOCA) testing has revealed that these restructured regions with a high density of bubbles and subgrains pulverize during the transient test. It appears that the increase in fission gas bubbles coupled with grain subdivision renders the fuel mechanically weaker during a LOCA transient and thus susceptible to fuel fragmentation relocation and dispersal (FFRD). Work this past fiscal year has prioritized understanding this behavior by using advanced microscopy to investigate fission gas behavior in the as-irradiated and post-LOCA state. Additional work has been performed to verify the theory described above by analyzing multiple post-LOCA optical micrographs and comparing that to as-irradiated microstructural data. This document reports progress in the post-irradiation characterization of high burnup nuclear fuel with emphasis on the restructured fuel regions, particularly how microstructural features influence FFRD and fission gas release behavior in LOCA conditions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

MOSCATO Development and Integration in Fiscal Year 2023

In FY23, significant developments were made to the MOSCATO code package, enhancing its capabilities in many aspects. The improvements and advancements can be summarized as follows: Code Restructuring: The MOSCATO code underwent a restructuring process, enabling both Nek5000 and NekRS to share the same interface when using MOSCATO. This integration facilitates smoother interactions between the different modules and streamlines the overall simulation process. Automatic Domain Extension: To allow simulations to propagate over longer time frames, an automatic domain extension capability was added to the metal diffusion module. This enhancement enables more accurate and reliable simulations of diffusion processes, especially in scenarios with extended time requirements. Expanded Corrosion Reactions: The updated MOSCATO package now includes additional reactions that contribute to corrosion. This addition enhances the code’s ability to model corrosion effects more comprehensively, providing a more realistic representation of the systems being studied. Example Case Setup: To assist users and showcase MOSCATO’s capabilities, we developed example cases for various applications. Notably, we created example cases for thermal cells and corrosion loops. These pre-configured cases allow users to get started quickly and effectively with their simulations.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

X-ray observations of characteristic structures and time variations from the solar corona - Preliminary results from Skylab.

Examples taken from the S-054 X-ray telescope observations made during the first Skylab mission show the hot coronal plasma tracing the configuration of the magnetic fields. The high spectral resolution and sensitivity of the instrument has enabled the following two facts to be more firmly established: (1) that the 'quiet homogeneous corona' is in fact highly structured and that the structures observed appear to be the results of dispersed active region magnetic fields; and (2) that numerous bright points are distributed randomly on the disk. Their presence at high latitudes may play a role in solar cycle models. In addition, the capability of Skylab for studying time evolution has enabled the restructuring of coronal features to be seen at times of high activity, indicating a restructuring of the coronal magnetic fields.

Vaiana, G. S.↗

Summary of results indicating the beneficial effects of rotor vortex modification

The possibility of reducing blade-slap noise and high-frequency air loads and of increasing performance by tip air mass injection (TAMI) is investigated. The discussion is limited to two types of TAMI: chordwise injection with air injected at the blade tip in a chordwise direction and spanwise injection with air injected in a spanwise direction. Experimental and analytical results indicate that a properly designed TAMI system can restructure the near field characteristics of a concentrated vortex that trails off the tip of a lifting surface, that the tip vortex is spread by the application of chordwise TAMI, that mixing exists between the injected air mass and the vortex flow which enhances vortex decay, that the net power requirements to implement the system on operational helicopters are within acceptable levels, that maximum drop of noise level reductions of about 25 dB can be achieved, and that a decrease in the drag induced by the tip vortex in a spanwise TAMI system can be obtained by restructuring the vortex as it forms along the airfoil chord and by moving the vortex farther outboard of the tip.

White, R. P., Jr.↗

NASA's Advanced Communications Technology Satellite (ACTS)

NASA recently restructured its Space Communications Program to emphasize the development of high risk communication technology useable in multiple frequency bands and to support a wide range of future communication needs. As part of this restructuring, the Advanced Communications Technology Satellite (ACTS) Project will develop and experimentally verify the technology associated with multiple fixed and scanning beam systems which will enable growth in communication satellite capacities and more effective utilization of the radio frequency spectrum. The ACTS requirements and operations as well as the technology significance for future systems are described.

Gedney, R. T.↗

Flow structure in continuous flow electrophoresis chambers

There are at least two ways that hydrodynamic processes can limit continiuous flow electrophoresis. One arises from the sensitivity of the flow to small temerature gradients, especially at low flow rates and power levels. This sensitivity can be suppressed, at least in principle, by providing a carefully tailored, stabilizing temperature gradient in the cooling system that surrounds the flow channel. At higher power levels another limitation arises due to a restructuring of the main flow. This restructuring is caused by buoyancy, which is in turn affected by the electro-osmotic crossflow. Approximate solutions to appropriate partial differential equations have been computed by finite difference methods. One set of results is described here to illustrate the strong coupling between the structure of the main (axial) flow and the electro-osmotic flow.

Deiber, J. A.↗

Interfacial chemistry of electrical contacts on GaAs and Al0.3Ga0.7As

Thermal restructuring of oxides of GaAs and Al0.3Ga0.7As substrates has been studied using Auger electron spectroscopy and both neutral and secondary ion mass spectrometry. The oxide underwent restructuring at temperature of at least 250 C while gallium oxides desorbed at temperatures depending upon the type of oxide. Reoxidation at low oxygen pressures resulted in surface oxygen species different from those in native oxides. These species desorbed at about 520 C while native oxides desorbed at 600 C. Carbon-containing contaminants did not desorb. The implications of these results for electrical contacts are discussed.

Buonaquisti, A. D.↗

Real-time garbage collection for list processing

In a list processing system, small reference counters are maintained in conjunction with memory cells for the purpose of identifying memory cells that become available for re-use. The counters are updated as references to the cells are created and destroyed, and when a counter of a cell is decremented to logical zero the cell is immediately returned to a list of free cells. In those cases where a counter must be incremented beyond the maximum value that can be represented in a small counter, the cell is restructured so that the additional reference count can be represented. The restructuring involves allocating an additional cell, distributing counter, tag, and pointer information among the two cells, and linking both cells appropriately into the existing list structure.

Shuler, R. L., Jr.↗

Exploiting loop level parallelism in nonprocedural dataflow programs

Discussed are how loop level parallelism is detected in a nonprocedural dataflow program, and how a procedural program with concurrent loops is scheduled. Also discussed is a program restructuring technique which may be applied to recursive equations so that concurrent loops may be generated for a seemingly iterative computation. A compiler which generates C code for the language described below has been implemented. The scheduling component of the compiler and the restructuring transformation are described.

Gokhale, Maya B.↗

Life support and internal thermal control system design for the Space Station Freedom

A Review of the Space Station Freedom Environmental Control and Life Support System (ECLSS) as well as the Internal Thermal Control System (ITCS) design, including recent changes resulting from an activity to restructure the program, is provided. The development state of the original Space Station Freedom ECLSS through the restructured configuration is considered and the selection of regenerative subsystems for oxygen and water reclamation is addressed. A survey of the present ground development and verification program is given.

Humphries, R.↗

Overview and evolution of the LeRC PMAD DC Testbed

Since the beginning of the Space Station Freedom Program (SSFP), the Lewis Research Center (LeRC) has been developed electrical power system test beds to support the overall design effort. Through this time, the SSFP has changed the design baseline numerous times, however, the test bed effort has endeavored to track these changes. Beginning in August 1989 with the baseline and an all DC system, a test bed was developed to support the design baseline. The LeRC power measurement and distribution (PMAD) DC test bed and the changes in the restructure are described. The changes includeed the size reduction of primary power channel and various power processing elements. A substantial reduction was also made in the amount of flight software with the subsequent migration of these functions to ground control centers. The impact of these changes on the design of the power hardware, the controller algorithms, the control software, and a description of their current status is presented. An overview of the testing using the test bed is described, which includes investigation of stability and source impedance, primary and secondary fault protection, and performance of a rotary utility transfer device. Finally, information is presented on the evolution of the test bed to support the verification and operational phases of the SSFP in light of these restructure scrubs.

Soeder, James F.↗

Payload advisory panel recommendations

The Payload Advisory Panel proposes a restructured Earth Observing System (EOS) mission to address high-priority science and environmental policy issues in Earth System Science. These issues have been identified through studies conducted by the Intergovernmental Panel on Climate Change (IPCC), the United States Environmental Protection Agency (EPA), and the Committee on Earth and Environmental Sciences (CEES). The restructured EOS defers efforts to improve the understanding of the middle and upper stratosphere and solid earth geophysics. The strategy of the mission combines high priority new measurements with continuation of critical data sets begun by missions which precede EOS. Collaborative arrangements with international partners are an essential part of the program and additional arrangements are posed. The need for continuity in Earth observations and the urgency of environmental questions require launch of some EOS elements as soon as possible. They further require maintenance of the EOS objective of obtaining consistent 15-year measurement records.

Moore, Berrien, III↗