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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 901 records · Page 50

Quantum Accelerators for High-performance Computing Systems

We define some of the programming and system-level challenges facing the application of quantum processing to high-performance computing. Alongside barriers to physical integration, prominent differences in the execution of quantum and conventional programs challenges the intersection of these computational models. Following a brief overview of the state of the art, we discuss recent advances in programming and execution models for hybrid quantum-classical computing. We discuss a novel quantum-accelerator framework that uses specialized kernels to offload select workloads while integrating with existing computing infrastructure. We elaborate on the role of the host operating system to manage these unique accelerator resources, the prospects for deploying quantum modules, and the requirements placed on the language hierarchy connecting these different system components. We draw on recent advances in the modeling and simulation of quantum computing systems with the development of architectures for hybrid high-performance computing systems and the realization of software stacks for controlling quantum devices. Finally, we present simulation results that describe the expected system-level behavior of high-performance computing systems composed from compute nodes with quantum processing units. We describe performance for these hybrid systems in terms of time-to-solution, accuracy, and energy consumption, and we use simple application examples to estimate the performance advantage of quantum acceleration.

Humble, Travis↗

Cluster 1: commercializing additive manufacturing—hurdles in materials characterization and testing

A major challenge in the commercialization of additive manufactured (AM) materials and processes is the ability to achieve acceptance of processes and products. There has been some progress towards acceptance has been made by adapting legacy qualification paradigms to match with the very limited process control and monitoring offered by AM machines. The opportunity for in-situ measurement can provide process monitoring and control perhaps changing the way we qualify parts however it is limited by lack of adequate process measurement methods. New measurement techniques, sensors and correlations to relevant phenomena are needed that enable process control and monitoring for consistently producing high quality articles. Beyond process data we need to characterize uncertainties of performance in all aspects of material, process and final part. These are prerequisites to achieving articles that are indeed worthy of materials characterization efforts that establish a microstructural reference of desirable performance through process-structure-property relations. Only then can industry apply physics based understanding of the material, part and process to probabilistically predict performance of an AM part. Our paper provides a brief overview, discussion of hurdles and key areas where R&D investment is needed.

36 MATERIALS SCIENCE↗

Engineering Scale Drying of Aluminum-Clad Spent Nuclear Fuel: Experiment Report

Engineering-scale tests were performed to evaluate the relative effectiveness of forced gas and vacuum-drying processes on aluminum-clad spent nuclear fuel (ASNF) in preparation for extended dry storage. Drying models were developed to improve confidence in the likely range of conditions at the start of dry storage and to understand the factors most significant to each process. Testing was performed at the Holtec International Forced Helium Dehydration training facility in Camden, New Jersey, by students from the University of South Carolina in collaboration with Idaho National Laboratory. A full-size Type 1a basket, with a full-diameter vessel configuration (based on the Department of Energy standardized canister design), was used in combination with a 10 assembly surrogate ASNF arrangement to provide a proxy for geometry. A resistance heater incorporated in one assembly simulated the influence of 100 W decay heat. This instrumented chamber allowed testing of the removal of bulk water, physisorbed water, and chemisorbed water over a range of operating parameters with either drying process. Thick oxide films were grown on aluminum test plates to mimic the ASNF surface chemistry. These one-use test plates were housed within select assemblies during drying. Post-test analysis of these plates gave a measure of the moisture removed during each test, which was compared to a control. Instrumentation provided detailed thermal, humidity, and gas or pressure data relevant to each test. Model simulations generally compared favorably to instrument data for the tests. While both processes were able to remove bulk water, removal of chemisorbed water was shown to depend heavily on local temperature. To the disadvantage of vacuum drying, operations approaching or exceeding 220°C achieved consistently more dehydroxylation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Dual role of boron in improving electrical performance and device stability of low temperature solution processed ZnO thin film transistors

In this paper, we have demonstrated the dual role of boron doping in enhancing the device performance parameters as well as the device stability in low temperatures (200 °C) sol-gel processed ZnO thin film transistors (TFTs). Our studies suggest that boron is able to act as a carrier generator and oxygen vacancy suppressor simultaneously. Boron-doped ZnO TFTs with 8 mol. % of boron concentration demonstrated field-effect mobility value of 1.2 cm{sup 2} V{sup −1} s{sup −1} and threshold voltage of 6.2 V, respectively. Further, these devices showed lower shift in threshold voltage during the hysteresis and bias stress measurements as compared to undoped ZnO TFTs.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Permanganate Oxidation of Defense Waste Processing Facility (DWPF) Recycle Collection Tank (RCT) Simulants – Protocol Runs for Nominal and Chemical Process Cell (CPC) Foamover Conditions

Savannah River National Laboratory (SRNL) has completed a work scope in support of the Savannah River Remediation (SRR) Nitric-Glycolic flowsheet. Glycolic acid will replace formic acid as a reducing agent in the pre-processing of High-Level Waste sludge performed at the Defense Waste Processing Facility (DWPF). Glycolic acid will perform the same function as formic acid, namely reduction of mercury and adjustment of feed rheology and melter oxidation/reduction potential, while significantly reducing the potential for hydrogen generation in DWPF processing. Development testing has demonstrated glycolic acid virtually eliminates hydrogen production in the pre-processing steps. The Nitric-Glycolic flowsheet significantly improves DWPF’s ability to address one of the Savannah River Site’s key challenges - the incorporation of effluent received from the Salt Waste Processing Facility (SWPF). SWPF will deliver significant effluent volume to DWPF, resulting in a concurrent increase in DWPF effluent returned to the Concentration, Storage and Transfer Facilities (CSTF). This work scope demonstrates that glycolate can be destroyed under the Nitric-Glycolic flowsheet prior to returning the DWPF recycle stream to CSTF. To avoid potential flammability issues due to thermolysis of glycolate in CSTF, SRR tasked SRNL to quantify and mitigate glycolate returns via DWPF’s recycle stream. The development of a strategy for glycolic mitigation was initiated with a system’s engineering workshop. Various chemical and/or physical solutions for how and where to destroy glycolate were considered – consistent with DWPF’s operational capabilities and process requirements. The workshop identified chemical oxidation of glycolate within the DWPF Recycle Collection Tank (RCT) as the most promising option. (The RCT collects offgas condensate from pre-processing, vitrification, and other unit operations performed in DWPF and is the singular return vessel delivering recycle effluent back to CSTF.) A series of down-select experimental tests were performed that showed sodium permanganate was the most effective oxidant. This work was performed to identify an appropriate operational protocol for DWPF implementation. Building upon the downselect experiments, the work targeted an improved description of suitable RCT conditions prior to the strike (pH, etc.), permanganate addition rate, and destruction reaction kinetics. Data collected were also used to determine the best expression of reaction stoichiometry and the effective minimum permanganate addition required.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Creep Deformation and Damage Mechanisms in an Advanced High-Temperature Additively Manufactured Nickel-Base Superalloy

Abstract This research investigates the processing–structure–properties–performance relationship in a novel nickel-base superalloy, ABD ® -900AM, designed for extreme environments. Specifically tailored for additive manufacturing (AM), ABD ® -900AM maintains mechanical integrity at high temperatures and is comparable to other nickel-based superalloys with a 30–40% gamma-prime volume fraction. A comprehensive study was conducted using laser-beam powder bed fusion and electron-beam powder bed fusion methods. Factors such as heat treatment, porosity, build orientation, and hot isostatic pressing were evaluated to understand their effects on microstructure and mechanical performance. Microstructural characterization revealed significant differences in grain size and orientation across build processes and heat treatments. High-temperature mechanical testing indicated that grain size, heat treatment, and orientation significantly influence creep behavior. A super-solvus heat treatment led to recrystallization and grain growth, significantly improving creep properties compared to a near-solvus heat treatment. Various creep mechanisms were identified across different conditions, and creep rupture models were developed for each build process. Post-test microstructural analysis showed grain boundary damage, with differences in creep cavitation morphology under varying stress conditions. It was shown that MC carbides grow at the expense of gamma-prime near grain boundaries, leading to precipitate-free zones in specimens tested at higher temperatures. This study fills a significant gap in fundamental research by offering a deeper insight into the high-temperature mechanical behavior of additively manufactured nickel-base superalloys. It also explores critical research questions regarding the role of carbides and the significance of heat treatment. The insights gained enhance confidence in the industry adoption of ABD ® -900AM and similar alloys for high-temperature applications, bridging the knowledge gap and supporting the development of reliable AM processes for extreme environments.

Bridges, Alex (ORCID:000000030338759X)↗

Outstanding field emission properties of wet-processed titanium dioxide coated carbon nanotube based field emission devices

Field emission devices using a wet-processed composite cathode of carbon nanotube films coated with titanium dioxide exhibit outstanding field emission characteristics, including ultralow turn on field of 0.383 V μm{sup −1} and threshold field of 0.657 V μm{sup −1} corresponding with a very high field enhancement factor of 20 000, exceptional current stability, and excellent emission uniformity. The improved field emission properties are attributed to the enhanced edge effect simultaneously with the reduced screening effect, and the lowered work function of the composite cathode. In addition, the highly stable electron emission is found due to the presence of titanium dioxide nanoparticles on the carbon nanotubes, which prohibits the cathode from the influence of ions and free radical created in the emission process as well as residual oxygen gas in the device. The high-performance solution-processed composite cathode demonstrates great potential application in vacuum electronic devices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Demonstration of Integrated PostIrradiation Process Steps forMultikilogram Amounts of Low- and High-Burnup Used Nuclear Fuels

sponsored research and development (R&D) on the advanced, closed nuclear fuel cycle, including post-irradiation processing of used fuels, recovery of separated components, and preparation of recycle nuclear fuels. During the period 2007–2010, kilogram-scale demonstrations of the integrated processing steps were performed for actual light water reactor (LWR) used nuclear fuels (UNF). These integrated processing demonstrations were called “the Coupled-End-to-End” (CETE) campaigns and were associated with the Global Nuclear Energy Partnership program, which ran concurrently. The demonstrations were carried out in the shielded hot cells and associated gloveboxes located in the Irradiated Fuels Examination Laboratory (IFEL) and the Radiochemical Engineering Development Center (REDC) at the Oak Ridge National Laboratory (ORNL). Limited circulation program reports and a few technical papers were issued. The subject document provides a comprehensive summary of results, technical comparisons, and conclusions obtained from the demonstration campaigns and subsequent associated R&D.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Fiscal Year 2022. Filtration of Hanford Tank 241-AP-101 Supernatant at 16 °C

Bench-scale filtration testing of ~9 liters of supernatant from Hanford waste tank 241-AP-101, chilled to 16 °C, was conducted using a backpulse dead-end filter (BDEF) filtration system equipped with a feed vessel and a Mott inline filter Model 6610 (Media Grade 5) in the hot cells of the Radiochemical Processing Laboratory at Pacific Northwest National Laboratory. This was done to assess the performance of the anticipated third feed to the Tank Side Cesium Removal (TSCR) system. The as-received samples were diluted to the target sodium concentration and transferred to 1.5-liter polyethylene bottles and held at 16 °C for approximately 1 week prior to filtration. The feed was filtered through the BDEF system at a targeted flux of 0.065 gpm/ft 2 to match the prototypic operation of the TSCR system. During filtration, the differential pressure required to effect filtration at 0.065 gpm/ft 2 increased little over the filtration campaign and never reached 2 psid (the TSCR action limit). This indicates that the TSCR filter should perform well when processing AP-101 supernatant. After completing filtration of the AP-101 feed, the filter was cleaned. Solids concentrated from the backpulse solutions displayed sodium nitrate-type phases, aluminum and silicon phases reported as cancrinite or nitrate-cancrinite, a mixed chromium-aluminum oxide, iron oxides, and Ca-bearing phases (calcite). Scanning electron microscopy analyses showed that the average particle size was 0.5 micron.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

An Implicit Approach to Phase Field Modeling of Solidification for Additively Manufactured Alloys [Slides]

We are leveraging modern algorithms and computational science to provide a route to predictive simulation of microstructure evolution on emerging exascale architectures. We are utilizing the fastest supercomputers in the world for modeling and simulation of microstructure evolution for generation of data under AM conditions. Solidification conditions in AM can be tailored for the reliable design of materials to specific performance requirements. Developing computational tools to further characterize alloys and correlate the processing-structure-properties-performance (PSPP) relationship.

36 MATERIALS SCIENCE↗

Updated (BP3) Technical and Economic Feasibility Study - Electrochemical Membrane for Carbon Dioxide Capture and Power Generation

This topical report summarizes the results of an updated Technical & Economic Feasibility Study (T&EFS) which was conducted in Budget Period 3 of the project to evaluate the performance and cost of the Electrochemical Membrane (ECM)-based CO2 capture system. The ECM technology is derived from commercially available inorganic membranes; the same used in FuelCell Energy’s commercial fuel cell power plants and sold under the trade name Direct FuelCell® (DFC®). The ECM stacks are utilized in the Combined Electric Power (generation) And Carbon dioxide Separation (CEPACS) systems which can be deployed as add-ons to conventional power plants (Pulverized Coal, Combined Cycle, etc.) or industrial facilities to simultaneously produce power while capturing >90% of the CO2 from the flue gas. In this study, an ECM-based CEPACS plant was designed to capture and compress >90% of the CO2 (for sequestration or beneficial use) from the flue gas of a reference 550 MW (nominal, net AC) Pulverized Coal (PC) Rankine Cycle (Subcritical steam) power plant. ECM performance was updated based on bench scale ECM stack test results. The system process simulations were performed to generate the CEPACS plant performance estimates. The performance assessment included estimation of the parasitic power consumption for CO2 capture and compression, and the efficiency impact on the PC plant. While the ECM-based CEPACS system for the 550 MW PC plant captures 90% of CO2 from the flue gas, it generates additional (net AC) power after compensating for the auxiliary power requirements of CO2 capture and compression. An equipment list, ECM stacks packaging design, and CEPACS plant layout were developed to facilitate the economic analysis. Vendor quotes were also solicited. The economic feasibility study included estimation of CEPACS plant capital cost, cost of electricity (COE) analyses and estimation of cost per ton of CO2 captured. The incremental COE for the ECM-based CO2 capture is expected to meet U.S. DOE’s target of 35%. This study has indicated that CEPACS systems offer significant benefits with respect to cost, performance, water consumption and emissions to environment. The realization of these benefits will provide a single solution to carbon dioxide capture in addition to meeting the increasing demand for electricity.

20 FOSSIL-FUELED POWER PLANTS↗

Updated (BP3) Technical and Economic Feasibility Study - Electrochemical Membrane for Carbon Dioxide Capture and Power Generation

This topical report summarizes the results of an updated Technical & Economic Feasibility Study (T&EFS) which was conducted in Budget Period 3 of the project to evaluate the performance and cost of the Electrochemical Membrane (ECM)-based CO 2 capture system. The ECM technology is derived from commercially available inorganic membranes; the same used in FuelCell Energy’s commercial fuel cell power plants and sold under the trade name Direct FuelCell® (DFC®). The ECM stacks are utilized in the Combined Electric Power (generation) And Carbon dioxide Separation (CEPACS) systems which can be deployed as add-ons to conventional power plants (Pulverized Coal, Combined Cycle, etc.) or industrial facilities to simultaneously produce power while capturing >90% of the CO 2 from the flue gas. In this study, an ECM-based CEPACS plant was designed to capture and compress >90% of the CO 2 (for sequestration or beneficial use) from the flue gas of a reference 550 MW (nominal, net AC) Pulverized Coal (PC) Rankine Cycle (Subcritical steam) power plant. ECM performance was updated based on bench scale ECM stack test results. The system process simulations were performed to generate the CEPACS plant performance estimates. The performance assessment included estimation of the parasitic power consumption for CO 2 capture and compression, and the efficiency impact on the PC plant. While the ECM-based CEPACS system for the 550 MW PC plant captures 90% of CO 2 from the flue gas, it generates additional (net AC) power after compensating for the auxiliary power requirements of CO 2 capture and compression. An equipment list, ECM stacks packaging design, and CEPACS plant layout were developed to facilitate the economic analysis. Vendor quotes were also solicited. The economic feasibility study included estimation of CEPACS plant capital cost, cost of electricity (COE) analyses and estimation of cost per ton of CO 2 captured. The incremental COE for the ECM-based CO 2 capture is expected to meet U.S. DOE’s target of 35%. This study has indicated that CEPACS systems offer significant benefits with respect to cost, performance, water consumption and emissions to environment. The realization of these benefits will provide a single solution to carbon dioxide capture in addition to meeting the increasing demand for electricity.

20 FOSSIL-FUELED POWER PLANTS↗

Influence of the Feedstock on Catalytic Fast Pyrolysis with a Solid Acid Catalyst

Abstract At RTI, we are developing a catalytic fast pyrolysis process with a new solid acid catalyst, the performance of which has been evaluated in a pilot‐scale reactor using loblolly pine. More robust technology development requires a deeper understanding of the influence of the feedstock properties of process performance defined by the organic liquid yield and composition. Seven types of woody and herbaceous biomass were tested in a 2.54 cm diameter fluidized‐bed reactor. This study shows that the product distribution and biocrude composition vary widely with different feedstocks. The yield of organic biocrude is in the range of 14.0–20.8 wt % for the tested feedstocks. The yields of incondensable gases and carbonaceous solids vary significantly from feedstock to feedstock, which may be because of the variation of the ash content in the feedstock. A feedstock with a higher ash content generates more gases; specifically more CO 2 but not necessarily more CO. The chemical composition, which includes lignin, hemicellulose, and cellulose, also affects the biocrude composition and the yield of gases. We also demonstrated a positive correlation between the cellulose content and CO yield and a negative correlation between the hemicellulose content and CO yield.

Wang, Kaige↗

Solidification and grain formation in alloys: a 2D application of the grand-potential-based phase-field approach

Solidification is a significant step in the forming of crystalline structures during various manufacturing and material processing techniques. Solidification characteristics and the microstructures formed during the process dictate the properties and performance of the materials. Hence, understanding how the process conditions relate to various microstructure formations is paramount. In this work, a grand-potential-based multi-phase, multi-component, multi-order-parameter phase-field model is used to demonstrate the solidification of alloys in 2D. This model has several key advantages over other multi-phase models such as it decouples the bulk energy from the interfacial energy, removes the constraints for the phase concentration variable, and prevents spurious third-phase formation at the two phase interfaces. Here, the model is implemented in a finite-element-based phase-field modeling code. The role of various modeling parameters in governing the solidification rate and the shape of the solidified structure is evaluated. It is demonstrated that the process conditions such as temperature gradient, thermal diffusion, cooling rate, etc, influence the solidification characteristics by altering the level of undercooling. Furthermore, the capability of the model to capture directional solidification and polycrystalline structure formation exhibiting various grain shapes is illustrated. In both these cases, the process conditions have been related to the growth rate and associated shape of the dendritic structure. As a result, this work serves as a stepping stone towards resolving the larger problem of understanding the process–structure–property–performance correlation in solidified materials.

36 MATERIALS SCIENCE↗