Search NASA⌕ Search

SEARCH · Search NASA

Results for “material analysis”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 181 records · Page 10

Overview of the Magnetic Resonance Capabilities at INL

The aim of this presentation is to give a broad overview of the magnetic resonance capabilities at Idaho National Laboratory and how the technique is implemented within the different directorates at the lab. Historically, the high-field NMR instrumentation has been used by our Energy & Environment Science and Technology (EES&T) directorate primarily as a characterization tool for synthetic chemistry work, but we have been actively trying to expand the use of the instrumentation into our Nuclear Science and Technology (NS&T) and National and Homeland Security (NHS) directorates. The expanded scope of work has ranged from solid-state characterization of biomass, analysis of electrolyte materials from lithium ion batteries, quantification of extracted critical materials, and measurement of metal-ligand complexes using ligands proposed for use in the nuclear fuel cycle.

37 - INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL C↗

Propulsion Electrification Architecture Selection Process and Cost of Carbon Abatement Analysis for Heavy-Duty Off-Road Material Handler

The heavy-duty off-road industry continues to expand efforts to reduce fuel consumption and CO 2 e (carbon dioxide equivalent) emissions. Many manufacturers are pursuing electrification to decrease fuel consumption and emissions. Future policies will likely require electrification for CO2e savings, as seen in light-duty on-road vehicles. Electrified architectures vary widely in the heavy-duty off-road space, with parallel hybrids in some applications and series hybrids in others. The diverse applications for different types of equipment mean different electrified configurations are required. Companies must also determine the value in pursuing electrified architectures; this work analyzes a range of electrified architectures, from micro hybrids to parallel hybrids to series hybrids to a BEV, looking at the total cost, total CO 2 e, and cost per CO 2 e (cost of carbon abatement, or cost of carbon reduction) using data for the year 2021. This study is focused on a heavy-duty off-road material handler, the Pettibone Cary-Lift 204i. This machine’s specialty application, including events like unloading large oil pipes from a railcar, requires a unique electrified architecture that suits its specific needs. However, the results from this study may be extrapolated to similar machinery to inform fuel savings options across the heavy-duty off-road industry. In this study, a unique electrified architecture is determined for the Cary-Lift. This architecture is informed by multiple rounds of a Pugh matrix decision analysis to select a shortened list of desirable electrified architectures. The shortened list is modeled and simulated to determine CO 2 e, cost, and cost per CO 2 e. A final architecture is determined as a plug-in series hybrid that reduces fuel consumption by 65%, targeting the large fuel and CO 2 e savings that are likely to be required for the future of the heavy-duty off-road industry.

33 ADVANCED PROPULSION SYSTEMS↗

Scanning Transmission Electron Microscopy–Atom Probe Tomography Correlative Analysis for the Characterization of Solute-defect Interactions

Atom probe tomography (APT) and (scanning) transmission electron microscopy ((S)TEM) are complementary techniques that provide spatially resolved chemical and structural information at the atomic scale. Here, in this study, we employ two different STEM/APT correlative analysis methods to investigate Cr segregation at dislocation loops in ultra-high purity Fe–Cr alloys. APT needles for the correlative analysis were extracted either from bulk material or from thinned TEM lamellae. STEM analysis was used to determine the Burgers vectors of ion-irradiation-induced dislocation loops, while APT reconstruction of the same region revealed the Cr segregation to these loops. We extended the g•b = 0 invisibility criterion of dislocation loops from TEM mode in a lamella to STEM mode in a needle-shaped specimen. STEM and APT analysis on the same needle provide straightforward correlative analysis, although it is limited by a small observation volume. In contrast, iterative STEM analysis of TEM lamellae, followed by the selective extraction of specific regions of interest for APT analysis, expands the observation area by up to 100 times but requires additional time-consuming steps for APT needle extraction from the lamellae.

47 OTHER INSTRUMENTATION↗

Self-driving thin film laboratory: autonomous epitaxial atomic-layer synthesis via real-time computer vision analysis of electron diffraction

Emerging materials science platforms with the ability to make autonomous decisions on the fly are fundamentally changing the outlook and protocols for materials optimization and discovery. Because AI-driven self-navigating schemes can effectively reduce the total number of iterations needed to arrive at the "answer" (i.e. the best stochiometric composition for a desired physical property, optimum materials processing parameters, etc.) by significant margins, they have the potential to revolutionize materials and chemical manufacturing processes at large in research laboratory settings as well as in industrial plants. Here, we demonstrate a successful implementation of real-time closed-loop autonomous navigation of a multi-dimensional materials synthesis parameter space for fabricating phase-pure epitaxial films of a metastable phase of a functional oxide in a combinatorial pulsed laser deposition chamber. Sequential epitaxial growth iterations in search of the optimized recipe to stabilize the desired crystal phase were performed using frame-by-frame quantitative computer vision analysis of reflection high-energy electron diffraction (RHEED) images of the unit-cell level film being deposited. The autonomous scheme regularly resulted in > 30-fold reduction in the number of required experiments compared to a comprehensive mapping of the parameter space. The real-time workflow developed here can be readily extended to a variety of thin film synthesis platforms opening the door for self-driving atomic-level materials design as well as autonomous optimization of semiconductor manufacturing.

36 MATERIALS SCIENCE↗

Safety Considerations for Advanced Material Irradiation at the Advanced Test Reactor

The Advanced Test Reactor (ATR) is a light water reactor with aluminum-clad driver fuel. A primary mission of the ATR is to support the next generation of nuclear reactors. This support necessarily requires irradiation of advanced materials such as sodium, fuel salts, and metal eutectics. Irradiation of advanced materials in the ATR environment presents a challenge when completing accident analyses and demonstrating compliance to the Safety Analysis Report (SAR). Many advanced materials have the possibility to react with the ATR protective barriers such as the cladding or primary coolant system (PCS) boundary during postulated accident scenarios. Further, molten fuel experiments fall outside of the standard regulatory framework for dose consequence analyses. ATR is currently developing new safety analysis methods to support irradiation of advanced materials. The primary considerations for this development are 1) experiment containment design requirements, 2) primary coolant system response to an experiment containment failure, and 3) dose analyses for molten fuels.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Safety Considerations for Advanced Material Irradiation at the ATR

The Advanced Test Reactor (ATR) is a light water reactor with aluminum-clad driver fuel. A primary mission of the ATR is to support the next generation of nuclear reactors. This support necessarily requires irradiation of advanced materials such as sodium, fuel salts, and metal eutectics. Irradiation of advanced materials in the ATR environment presents a challenge when completing accident analyses and demonstrating compliance to the Safety Analysis Report (SAR). Many advanced materials have the possibility to react with the ATR protective barriers such as the cladding or primary coolant system (PCS) boundary during postulated accident scenarios. Further, molten fuel experiments fall outside of the standard regulatory framework for dose consequence analyses. ATR is currently developing new safety analysis methods to support irradiation of advanced materials. The primary considerations for this development are 1) experiment containment design requirements, 2) primary coolant system response to an experiment containment failure, and 3) dose analyses for molten fuels.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Adaptive Scalpel Scanning Probe Microscopy for Enhanced Volumetric Sensing in Tomographic Analysis

Controlling nanoscale tip‐induced material removal is crucial for achieving atomic‐level precision in tomographic sensing with atomic force microscopy (AFM). While advances have enabled volumetric probing of conductive features with nanometer accuracy in solid‐state devices, materials, and photovoltaics, limitations in spatial resolution and volumetric sensitivity persist. This work identifies and addresses in‐plane and vertical tip‐sample junction leakage as sources of parasitic contrast in tomographic AFM, hindering real‐space 3D reconstructions. Novel strategies are proposed to overcome these limitations. First, the contrast mechanisms analyzing nanosized conductive features are explored when confining current collection purely to in‐plane transport, thus allowing reconstruction with a reduction in the overestimation of the lateral dimensions. Furthermore, an adaptive tip‐sample biasing scheme is demonstrated for the mitigation of a class of artefacts induced by the high electric field inside the thin oxide when volumetrically reduced. This significantly enhances vertical sensitivity by approaching the intrinsic limits set by quantum tunneling processes, allowing detailed depth analysis in thin dielectrics. The effectiveness of these methods is showcased in tomographic reconstructions of conductive filaments in valence change memory, highlighting the potential for application in nanoelectronics devices and bulk materials and unlocking new limits for tomographic AFM.

36 MATERIALS SCIENCE↗

A critical review of the history of fabricating monolithic U-Mo fuel plates

The fabrication of monolithic uranium-molybdenum alloy fuels, specifically those developed for high-performance research and test reactors, began in the early 2000s. The primary fuel form consists of uranium alloyed with 10-wt% molybdenum in a thin foil coated with zirconium and encapsulated in aluminum-6061 cladding. Over the years, the process has evolved with different types of casting, heat treatments, rolling schedules, and cladding applications. This review examines the history of these fabrication processes and their impact on microstructure and fuel-swelling performance. Even though various fabrication methods were used, we found little correlation between fabrication variation and fuel swelling. This insensitive relationship between fabrication variation and fuel swelling is primarily due to inhomogeneous microstructures that formed during casting and grain refinement that occurred during rolling. We conclude that the fabrication processes we examined produced similar microstructures, indicating that the fuel microstructure is somewhat insensitive to the fabrication parameters evaluated. However, the relatively small amount of historic data, such as those for grain sizes, limited this analysis. More recently fabricated materials, such as those from ongoing irradiation experiment, Mini-Plate-1 and Mini-Plate-2, were also excluded from this analysis and are intended to be reviewed separately. The findings, that fuel microstructure is somewhat insensitive to the fabrication parameters, do not imply that any fabrication method is acceptable, given the uncertainties in data and fuel-swelling observations. For example, only arc melting and vacuum induction melting casting processes were previously explored in the historic fabrication efforts. In conclusion, the findings should not be extrapolated to other casting processes.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Computational materials assessment of the D/Li-stripping neutron source as a prototypical facility for fusion materials testing

As the US fusion materials community awaits the selection and design of a fusion prototypical neutron source (FPNS), a risk reduction exercise has been conducted to (i) provide an updated materials performance evaluation using state-of-the-art computational materials modeling, (ii) expand on legacy analysis based on pure Fe to other relevant fusion structural materials types, and (iii) ensure that materials response under FPNS operational conditions is consistent with referential fusion reactor conditions. The current paper describes the efforts undertaken to assemble a comprehensive computational methodology that includes neutronics, primary damage calculations, atomistic simulations of displacement cascades, chemical inventory evolution calculations, and a computational thermodynamic analysis of emerging phases during irradiation. Our work extends existing studies in pure Fe to reduced-activation ferritic/martensitic steels, tungsten, silicon carbide, and vanadium alloys. We focus on the single-beam deuteron/lithium-stripping neutron source behind the IFMIF-DONES concept, which we assess against ITER, two DEMO designs, and an ideal pure 14-MeV flux. Our analysis indicates that, within standard uncertainties inherent to the models employed, the DONES concept adequately captures fusion conditions in the four materials analyzed. Our work is intended as a comprehensive irradiation damage analysis of fusion-representative neutron sources, to be used for further neutron source evaluation and fusion facility operation.

Marian, Jaime [Univ. of California, Los Angeles, C↗

Surrogate-assisted optimization under uncertainty for design for remanufacturing considering material price volatility

Remanufacturing is a well-established end-of-life (EOL) strategy that promises significant savings in energy and carbon emissions. However, the current design practices are not remanufacturing-inclusive, i.e., the majority of products are designed for a single life cycle. As a result, potential products that can sustain multiple life cycles are deprived of additional benefits of being designed for remanufacturing, such as reduced material usage, lower cost, and improved environmental impact. Moreover, the uncertainty in design, material selection, and economics are not considered to produce remanufacturable designs. Accordingly, this research proposes a design for remanufacturing (DfRem) framework that accounts for design uncertainty and material price volatility. The framework systematically explores the design space, performs design optimization under uncertainty, followed by topology optimization to provide additional mass savings, and finally, a price volatility analysis for plausible design material choices. The candidate designs are evaluated based on their design mass, material price volatility, failure mode characteristics, carbon footprint, and embodied energy impacts. The proposed framework's utility is demonstrated via the use of an engine cylinder head case study subjected to thermo-mechanical loads along with fatigue and wear failure. Considering grey cast iron and aluminum alloy as the design material choices, it was found that the cast iron design reduced the initial design mass by 6% as opposed to a 5% decrease for aluminum. On the other hand, about 8% area of the cast iron design failed due to fatigue, compared to 3% for aluminum. Here, we further observed that although the aluminum design provided better mechanical performance than the cast iron design, this material was more expensive and volatile in price.

36 MATERIALS SCIENCE↗

Serpent - Bison - THM Preliminary Multiphysics Modeling of a Nuclear Thermal Propulsion System Fuel Assembly

This work demonstrates the Monte Carlo neutronic and Thermo-Hydraulic coupling scheme using the Serpent code and MOOSE application Bison and Thermo Hydraulic Module. The coupling scheme is then applied to the reference BWX Technologies Nuclear Ther- mal Propulsion system at he fuel assembly level where it’s used to perform an analysis of the isothermal material coefficients and potential material reactivity worth. A method is developed to isolate which feedback effects should be considered for proceeding with reduced order deterministic neutronic modeling where branch off analysis must be con- ducted. The convergence behavior of the coupling scheme is demonstrated where it fol- lows the standard Picard iteration approach. Verification studies for the method of deduc- ing relevant feedback effects is also demonstrated.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

Precise Compositional Characterization of Plutonium Alloys by Electron Probe Microanalysis

Key Takeaway Points: • Unlike most other materials, the precise compositional analysis of plutonium, including compounds and alloys, is riddled by numerous difficulties that are unique to the element, including the high atomic number and radioactive nature. There’s work to be done! • Radioactive materials require special handling to ensure precise compositions can be measured by EPMA. • Mean Atomic Number background corrections are limited due to high average atomic number. • Mass Absorption Coefficients are unknown for most light elements. Quantification relies upon calibration curves. • Principal Component Analysis could be a useful tool to improve interpretation of complicated, multiple element X-ray maps.

Maner, IV, James L.↗

Topological Excitations in Pyrochlore Heterostructures

This research project focuses on developing innovative materials that demonstrate unique quantum properties, specifically within electron systems that exhibit complex interactions, known as "correlated electron systems." Unlike non-correlated materials, finding topological phases (special states of matter with protected properties that make them stable against defects) in these correlated systems is a significant challenge. The project aims to design synthetic templates of two-dimensional "Kagome lattice" structures, made from specific materials called iridates and osmates, to study and control these exotic quantum behaviors. To achieve this, the project employs a cutting-edge spectroscopic tools that allow precise analysis of artificial quantum materials in terms of both energy and momentum while they are being created, using a specialized laser-based process called laser Molecular Beam Epitaxy.

36 MATERIALS SCIENCE↗

Super-resolution model for overlapping peak detection and improved spatial resolution in high-energy diffraction microscopy

Reconstruction quality in Far-field High-Energy Diffraction Microscopy (FF-HEDM) is limited by the spatial resolution of area detectors and the frequent occurrence of overlapping diffraction spots. To address these challenges, we developed a super-resolution (SR) framework using convolutional neural networks (CNNs) to recreate 2D diffraction peaks at up to ×8 resolution from raw detector data. A specialized simulation tool was created to generate synthetic training datasets with varying degrees of peak overlap. Integrated into the Microstructural Imaging using Diffraction Analysis Software (MIDAS), the SR model improves the spatial accuracy and precision of 3D grain reconstruction by an order of magnitude. This approach provides a robust solution for investigation of complex micromechanical states and material classes where the analysis is limited by the presence of overlapping peaks. Furthermore, the methodology developed here can potentially be extended to other techniques that require sub-pixel accuracy for high-fidelity data analysis.

High-energy diffraction microscopy↗

A technoeconomic analysis of poly- and single-crystalline NMCxyz from material synthesis to battery pack design

A process model was developed for estimating the cost of manufacturing lithium nickel manganese cobalt oxide (LiNi x Mn y Co z O 2 , NMCxyz), the main cathode active material in lithium-ion batteries used for electric vehicles in the United States. The model was used to estimate the prices of NMC622, NMC811, and NMC955 with poly- and single-crystalline morphologies. The Battery Performance and Cost Model (BatPaC) was used to translate the NMC prices into battery pack prices. A decrease in cobalt content from NMC622 (20% Co) to NMC955 (5% Ni) decreases the material price by $\$$0.85/kg (−3%) due to a decrease in the cost of battery materials, which account for >60% of the total price. NMC622 only produce cheaper packs if the nickel sulfate cost is > 4 × its baseline, indicating higher nickel materials will lower pack cost under normal market conditions. Single-crystalline materials are $\$$2/kg (+8%) more expensive than their polycrystalline counterparts due to higher manufacturing costs from longer, hotter calcinations in less densely packed saggars. This increases the pack price by ∼$\$$3/kWh, assuming identical electrochemical properties. In conclusion, the single-crystalline materials could yield cheaper packs if cycled to higher upper cutoff voltages (i.e., 4.35 to 4.43 V for the single-crystalline material vs. 4.25 V for their polycrystalline counterparts).

Cost modeling↗

Development of a High-Rate Lithium-Air Battery Using a Gaseous CO 2 Reactant

Li-air batteries are considered a potential alternative to Li-ion batteries for transportation applications due to their high theoretical specific energy. Most works in this area focus on use of O 2 as the reactant. However, newer concepts for using gaseous reactants (such as CO 2 , which has a theoretical specific energy density of 1,876 Wh/kg) provide opportunities for further exploration. The main objective of this project was the development of a novel strategy that enables operation of Li-CO 2 batteries at high-capacity and high-rate, with a long-cycle-life. The team was able to: (1) Synthesize two novel transition metal chalcogenide (TMC) catalysts that work in synergy with ionic liquid-based electrolytes to enhance the efficiency of reactions during discharge and charge processes; (2) Fabricate high-porosity cathode electrodes with 3D printing to increase electrode surface area and gas permeability; (3) Develop a multiscale modeling framework that integrates Density Functional Theory (DFT), Ab-Initio Molecular Dynamics (AIMD), classical Molecular Dynamics (MD), and Finite Element Analysis (FEA) to investigate atomic and cell-level properties of Li-CO 2 batteries; (4) Assemble a stackable Li-CO 2 pouch-cell able to deliver a capacity of >200 mAh. These achievements were realized through an integrated approach based on materials synthesis, testing, characterization, analysis, and computation. This project produced a thorough understanding of key chemical, electronic, and kinetic parameters that govern the operation of Li- CO 2 batteries in realistic conditions. The methodologies employed, and the insight generated, will be valuable beyond advancing the field of Li-CO 2 batteries

25 ENERGY STORAGE↗

Recovery of Rare Earths, Precious Metals and other Critical Materials from Geothermal Waters with Advanced Sorbent Structures - CRADA 355 (Abstract)

The ability to recover valuable trace level minerals from geothermal brines using high-performance solid-phase sorbents will be explored and developed. A compressive range of sorbent materials will be screened for application to metal extraction from geothermal brines. Preferred sorbents from extraction of trace levels of rare earths (REs), precious metals (PMs), and other critical/strategically valuable materials (CMs) such as Zn, Mn, Te, Sc, Se and U from geothermal brines will be identified. For the preferred sorbents PNNL will determine the volumes they are capable of providing efficient extraction from. The thermal and chemical limits (including, acid, sulfur, salt) for performance of the preferred sorbent materials will be determined; with a target of at least 125°C and perhaps as high as 400° C. Sorbent form factors (including, packed bed, membrane, mats) that can function efficiently and be installed cost effectively in geothermal energy plants will be assessed for chemical and economic viability. Material regeneration and cyclic utilization will be demonstrated, targeting hundreds to thousands of cycles. Options for recovery and purification (including, selective separation of heavy REs) of collected materials will be explored. A techno-economic analysis (TEA) will be performed to assess the best approach to provide a value-added extraction process for geothermal energy systems. The sorbent materials and engineering analysis will be applicable to other industrial processes in which secondary recovery of valuable materials could provide economic benefit.

15 GEOTHERMAL ENERGY↗