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At least 55 records · Page 3

Construction of Lattice Strain in Bimetallic Nanostructures and Its Effectiveness in Electrochemical Applications

Bimetallic nanocrystals (NCs), associated with various surface functions such as ligand effect, ensemble effect, and strain effect, exhibit superior electrocatalytic properties. The stress-induced surface strain effect can alter binding strength between the surface active sites and reactants as well as their intermediates, and the electrochemical performance of bimetallic NCs can be significantly facilitated by the lattice-strain modification via their morphologies, sizes, shell-thickness, surface defectiveness as well as compositions. Here in this review, an overview of fundamental principles, characterization techniques, and quantitative determination of the surface lattice strain is provided. Various strategies and synthesis efforts on creating lattice-strain-engineered bimetallic NCs, including the de-alloying process, atomic layer-by-layer deposition, thermal treatment evolution, one-pot synthesis, and other efforts are also discussed. It is further outlined how the lattice strain effect promotes electrochemical catalysis through the selected case studies. The reactions on oxygen reduction reaction, small molecular oxidation, water splitting reaction, and electrochemical carbon dioxide reduction reactions are focused. In particular, studies of lattice strain arisen from core–shell nanostructure and defectiveness are highlighted. Lastly, the potential challenges are summarized and the prospects of lattice-strain-based engineering on bimetallic nanocatalysts with suggestion and guidance of the future electrocatalyst design are envisioned.

36 MATERIALS SCIENCE↗

Electro-chemical grinding

Electro-chemical grinding technique has rotation speed control, constant feed rates, and contour control. Hypersonic engine parts of nickel alloys can be almost 100% machined, keeping tool pressure at virtual zero. Technique eliminates galling and permits constant surface finish and burr-free interrupted cutting.

Feagans, P. L.↗

X-Ray Computed Tomography of Apollo Drive Tube 73001 as Part of the Apollo Next Generation Sample Analysis Program

Introduction: Starting in 2019, the Apollo Next Generation Sample Analysis (ANGSA) Program has enabled consortium studies of specially curated Apollo samples that were previously unstudied (or under studied). This program was intended as a participating scientist program for these Apollo samples, as well as a preparation for upcoming lunar sample return missions (e.g., Artemis). The work began with studies of unsealed core tube 73002 [1,2] that is the upper ~35 cm of an Apollo 17 double drive tube (~70 cm total depth) collected on the landslide deposit near Lara Crater at Station 3 in the Taurus Littrow Valley. More recently the program extended to the study of a variety of frozen Apollo 17 samples [3], as well as the gas extraction [4] and dissection [5] of 73001, the lower half of the station 3 double drive tube. Sample 73001 was sealed under vacuum on the Moon in a Core Sample Vacuum Container (CSVC). In this abstract we will examine the role of X-ray Computed Tomography (XCT) during the preliminary examination process for sealed core 73001, including: (1) engineering scans to aid in understanding the gas extraction process, (2) whole-core scanning prior to opening to inform extrusion and dissection work, and (3) individual particle scanning to characterize rock fragment lithologies for follow on studies. Methodology: Sample 73001 is a 33 cm long, 4 cm diameter regolith sample collected inside a lunar drive tube (~1 mm aluminum walls). That drive tube was sealed inside a 0.5 mm thick stainless steel (SS) CSVC. XCT scans for engineering purposes were done on the Nikon XTH 320 system at Johnson Space Center using the 225 kV multi-metal reflection source at 215 kV, 179 A, and a 38.49 m voxel size. Individual >4 mm particles separated from the core during processing (then triply sealed in Teflon bags) were also scanned at JSC using the 180 kV source at 90 kV, 33 A, and a 2.98 – 10.65 m voxel size. Whole-core scans were done at the University of Texas High-Resolution X-ray Computed Tomography Facility (UTCT) on the 225 kV reflection source on the North Star Imaging cabinet XCT system. These scans included: (1) a series of 9 overlapping super-resolution scans each covering a ~4 cm length of the tube at 190 kV, 180 µA, and a 12.9 µm voxel size and (2) a lower resolution continuous helical scan of the entire core at 190 kV, 180 µA, and a 51.8 µm voxel size. Progress and Results: Before piercing and extracting the gas from sample 73001, an XCT scan of the bottom portion of the CSVC was used to confirm the location of the Teflon cap on the inner drive tube and whether there was an “air” gap between the Teflon cap and the CSVC. This was to ensure the Teflon cap (which immobilized the soil inside the drive tube) was not accidentally pierced during gas extraction. Similarly, after piercing, the bottom and top portions of the CSVC were scanned in order to capture engineering knowledge about the results of the piercing process, as well as the metal knife edge vacuum seal (SS into an In-Ag alloy). Both scans will provide constraints on future work of this type, both for the design of tools used on the lunar surface during Artemis, as well as how we open future samples of this type. An unexpected finding from these engineering scans was that the device in the drive tube that immobilizes the regolith (the keeper) was not seated in the tube properly. This meant that (1) the drive tube could not be removed from the CSVC for the trip to UTCT, and (2) the procedure for opening and extruding the drive tube had to be modified. Had either of these things not been known prior to opening the CSVC, it could have led to an inability to XCT scan the whole core at high resolution and/or potential disruption of the core stratigraphy during extrusion. At UTCT, the entire length of the core was scanned at high resolution (12.9 microns per voxel). This scan serves multiple purposes: (1) A lower resolution (and uncorrected) version of these scans stitched together was used to help inform the processors of potential pitfalls during extrusion and dissection (voids, angular fragments at the edges of the sample, etc.); and (2) the full resolution corrected data will serve as the permanent in situ record of the stratigraphy of the sample and will enable future researchers to perform a variety of analyses. All 121 >4 mm particles separated during dissection pass 1 of sample 73001 have been individually scanned. These scans clearly show the lithology of each particle while keeping the particles in pristine condition (they are individually triply bagged in Teflon within our N2 purged processing cabinets). Because of the dust adhering to particle exteriors, it would otherwise be impossible to determine lithologies in a non-contaminating way. Thus far the types of lithologies seen in sample 73001 (e.g., regolith breccias, impact-melt breccias, agglutinates, and bas-alts) are similar to those previously identified in sample 73002 [2]. By the time of the meeting, all particles from all 3 dissection passes will have been scanned and statistics on the different lithologies in 73001 compiled. References: [1] Shearer et al. (2020) 51st LPSC, abstract 1181. [2] Zeigler et al. (2020) 51st LPSC, abstract 3023. [3] Kent et al. (2022) This Volume. [4] McDonald et al. (2022) European Lunar Symposium. [5] Gross et al (2022) This volume.

Moon↗

Thermophysical Properties of Nickel-Based Superalloys

The NASA Marshall Space Flight Center (MSFC) electrostatic levitation (ESL) laboratory has a long history of providing materials research and thermophysical property data. The lab can measure thermophysical properties such as density, surface tension, and viscosity of liquid materials, including elements, alloys, glasses, ceramics, and oxides. Nickel-based superalloys (e.g. Inconel, Hastelloy, and Waspaloy) have many high performance applications, including turbine engines for aerospace. Superalloy parts are typically manufactured by casting and forging. These processes generate both polycrystalline and monocrystalline parts. A relatively new method of fabrication of turbine disk materials is additive manufacturing, which is typically done for aerospace parts by powder-bed methods such as selective laser melting (SLM). Accurate modeling of casting and forging, as well as additively manufacturing processes, require thermophysical properties (density, surface tension, and viscosity). The thermophysical properties of liquid nickel-based superalloys, both conventional and additively manufactured, were measured at several temperatures in both undercooled and superheated condition. Surface tension and viscosity was measured using the oscillating drop method and density and thermal expansion was measured using edge detection methods.

SanSoucie, Michael P.↗

Alloy Design Workbench-Surface Modeling Package Developed

NASA Glenn Research Center's Computational Materials Group has integrated a graphical user interface with in-house-developed surface modeling capabilities, with the goal of using computationally efficient atomistic simulations to aid the development of advanced aerospace materials, through the modeling of alloy surfaces, surface alloys, and segregation. The software is also ideal for modeling nanomaterials, since surface and interfacial effects can dominate material behavior and properties at this level. Through the combination of an accurate atomistic surface modeling methodology and an efficient computational engine, it is now possible to directly model these types of surface phenomenon and metallic nanostructures without a supercomputer. Fulfilling a High Operating Temperature Propulsion Components (HOTPC) project level-I milestone, a graphical user interface was created for a suite of quantum approximate atomistic materials modeling Fortran programs developed at Glenn. The resulting "Alloy Design Workbench-Surface Modeling Package" (ADW-SMP) is the combination of proven quantum approximate Bozzolo-Ferrante-Smith (BFS) algorithms (refs. 1 and 2) with a productivity-enhancing graphical front end. Written in the portable, platform independent Java programming language, the graphical user interface calls on extensively tested Fortran programs running in the background for the detailed computational tasks. Designed to run on desktop computers, the package has been deployed on PC, Mac, and SGI computer systems. The graphical user interface integrates two modes of computational materials exploration. One mode uses Monte Carlo simulations to determine lowest energy equilibrium configurations. The second approach is an interactive "what if" comparison of atomic configuration energies, designed to provide real-time insight into the underlying drivers of alloying processes.

Abel, Phillip B.↗

Engineering Active Sites of Metal/Metal Oxide Catalysts by Oxide Ligand Overlayers

Abstract Engineering sites of supported metal catalysts is essential to enhancing activity and selectivity. Such enhancement is typically achieved by particle size modification, surface alloying, or attaching molecular ligands. Yet, control strategies for complex, multifunctional molecules and catalysts, where selectivity is crucial, are lacking. Here, we demonstrate that submonolayer WO x with tunable coverage preferentially decorates well‐coordinated Pt terrace sites as a stable ligand. By combining experimental kinetics with probe molecules, in situ spectroscopies, and first‐principles modeling, we show that the WO x coverage on Pt modifies the metal‐to‐acid site balance while retaining the acid strength intact and results in optimal reactivity for metal‐acid catalyzed reactions at a specific metal, size, and support‐dependent WO x coverage. The oxide can also alter the reactant adsorption mode, reversing selectivity and pathways from terrace‐ to step‐dominated, as evidenced in furfural decarbonylation and hydrogenation. The insights open avenues for improving metal/metal oxide catalysts beyond the specific system.

Zhou, Jiahua↗

Hot-salt stress-corrosion of titanium alloys as related to turbine engine operation.

Demonstration that the major variables influencing hot-salt stress-corrosion of titanium alloys are alloy processing conditions, heat-to-heat variations and composition, surface condition, and cyclic exposures. Under simulated compressor environmental conditions the commonly used 64 alloy is creep limited and not stress-corrosion limited. Cyclic exposures to stress-corrosion conditions are not as detrimental as continuous exposures for equivalent total times.

Gray, H. R.↗

Corrosion testing needs and considerations for additively manufactured materials in nuclear reactors

Additive manufacturing (AM) technologies have developed rapidly in recent years, creating new opportunities and challenges for the nuclear industry; however, adoption requires that their corrosion performance be evaluated. Here, we discuss known reactor-specific corrosion issues for multiple reactor types and engineering concerns such as regulations and standards. A review of corrosion studies conducted on select AM alloys informs a discussion on key bulk and surface factors likely to impact corrosion behaviors. Recommendations to assess corrosion performance for AM materials are provided, including management of the unique nature of as-built AM surfaces and the inherent process variability that occurs for AM components.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Alloy chemistry and microstructural control to meet the demands of the automotive Stirling engine

The automotive Stirling engine now under development by DOE/NASA as an alternative to the internal combustion engine, imposes severe materials requirements for the hot portion of the engine. Materials selected must be low cost and contain a minimum of strategic elements so that availability is not a problem. Heater head tubes contain high pressure hydrogen on the inside and are exposed to hot combustion gases on the outside surface. The cylinders and regenerator housings must be readily castable into complex shapes having varying wall thicknesses and be amenable to brazing and welding operations. Also, high strength, oxidation resistance, resistance to hydrogen permeation, cyclic operation, and long-life are required. A research program conducted by NASA Lewis focused on alloy chemistry and microstructural control to achieve the desired properties over the life of the engine. Results of alloy selection, characterization, evaluation, and actual engine testing of selected materials are presented.

Stephens, J. R.↗

Alloy chemistry and microstructural control to meet the demands of the automotive Stirling engine

The automotive Stirling engine now under development by DOE/NASA as an alternative to the internal combustion engine, imposes severe materials requirements for the hot portion of the engine. Materials selected must be low cost and contain a minimum of strategic elements so that availability is not a problem. Heater head tubes contain high pressure hydrogen on the inside and are exposed to hot combustion gases on the outside surface. The cylinders and regenerator housings must be readily castable into complex shapes having varying wall thicknesses and be amenable to brazing and welding operations. Also, high strength, oxidation resistance, resistance to hydrogen permeation, cyclic operation, and long-life are required. A research program conducted by NASA Lewis focused on alloy chemistry and microstructural control to achieve the desired properties over the life of the engine. Results of alloy selection, characterization, evaluation, and actual engine testing of selected materials are presented.

Stephens, Joseph R.↗

Treatments To Produce Stabilized Aluminum Mirrors for Cryogenic Uses

Five metallurgical treatments have been tested as means of stabilizing mirrors that are made of aluminum alloy 6061 and are intended for use in cryogenic applications. Aluminum alloy 6061 is favored as a mirror material by many scientists and engineers. Like other alloys, it shrinks upon cool-down from room temperature to cryogenic temperature. This shrinkage degrades the optical quality of the mirror surfaces. Hence, the metallurgical treatments were tested to determine which one could be most effective in minimizing the adverse optical effects of cooldown to cryogenic temperatures. Each of the five metallurgical treatments comprises a multistep process, the steps of which are interspersed with the steps of the mirror-fabrication process. The five metallurgical-treatment/fabrication.- process combinations were compared with each other and with a benchmark fabrication process, in which a mirror is made from an alloy blank by (1) symmetrical rough machining, (2) finish machining to within 0.006 in. (. 0.15 mm) of final dimensions, and finally (3) diamond turning to a mirror finish.

Zewari, Wahid↗

Pool boiler heat transport system for a 25 kWe advanced Stirling conversion system

Experiments to determine alkali metal/enhanced surface combinations that have stable boiling at the temperatures and heat fluxes that occur in the Stirling engine are reported. Two enhanced surfaces and two alkali metal working fluids were evaluated. The enhanced surfaces were an EDM hole covered surface and a sintered-powder-metal porous layer surface. The working fluids tested were potassium and eutectic sodium-potasium alloy (NaK), both with and without undissolved noncondensible gas. Noncondensible gas (He and Xe) was added to the system to provide gas in the nucleation sites, preventing quenching of the sites. The experiments demonstrated the potential of an alkali metal pool boiler heat transport system for use in a solar-powered Stirling engine. The most favorable fluid/surface combination tested was NaK boiling on a -100 +140 mesh 304L stainless steel sintered porous layer with no undissolved noncondensible gas. This combination provided stable, high-performance boiling at the operating temperature of 700 C. Heat fluxes into the system ranged from 10 to 50 W/sq cm. The transition from free convection to nucleate boiling occurred at temperatures near 540 C. Based on these experiments, a pool boiler was designed for a full-scale 25-kWe Stirling system.

Anderson, W. G.↗

Engineering Ultrathin Alloy Shell in Au@AuPd Core-Shell Nanoparticles for Efficient Plasmon-Driven Photocatalysis

Bimetallic core-shell nanoparticles (NPs) possessing a synergetic coupling of plasmonic and catalytic metals have emerged as promising prototypes for efficient plasmon-driven photocatalysis. Here, Au@AuPd core-shell NPs composed of Au core NP and ultrathin AuPd shell are introduced to acquire improved light utilization efficiency in photocatalytic selective oxidation. With systematical control of the composition of the ultrathin alloy shell, it reveals that the Au@AuPd core-shell NPs with 10 at% Pd (in the single-atom alloy regime) is an effective nanostructure capable of maximizing the quantum yield of plasmon-induced light absorption and optimizing the surface electronic structure for catalytic reactions. This controlled system provides new insights into shell engineering for enhancing photocatalytic performance via the regulation of energy funneling processes in core-shell nanocatalysts.

36 MATERIALS SCIENCE↗

AI-Enabled Discovery and Physics-Based Optimization of Energy Efficient Processing Strategies for Advanced Turbine Alloys (Final Technical Report)

In this project, the multi-organizational team of academic and industrial researchers from the University of Kentucky an aerospace and energy generation OEM partner has leveraged novel Digital Process Twin (DPT) models of process/structure interactions (i.e., process-induced surface integrity) to advance a paradigm of fully integrated computational materials engineering (ICME). Using efficient process models as the core of a digital process simulator for a reinforcement learning algorithm, the team has integrated industrial data and metrics of structure/performance/energy relationships and manufacturing-related energy metrics to optimize dynamic processing parameters for significantly improved life-cycle energy efficiency of advanced γ-TiAl low-pressure turbine (LPT) alloys, as indicated by a set of design relevant parameters (e.g., residual stresses and scrap rate). The key objective and anticipated outcome of the project was at least a 10% reduction in life-cycle embodied energy for a recently developed, γ-TiAl low-pressure turbine (LPT) alloy and nickel-based superalloy Inconel 718, through the adoption of the proposed AI-enabled process optimization approach. The final project outcomes significantly exceeded this original target, realizing manufacturing-related energy efficiency improvements of more than 130% for TiAl and up to 80% for Inconel 718. Rather than following the prevailing and highly inefficient empirical paradigm, the proposed study demonstrated the feasibility of adopting a digital, physics-based process design and optimization paradigm. The recurring need for manual intervention, rework, reinspection causes significant production bottlenecks and unnecessary expense associated with delivering the requisite component quality. The OEM partner, and turbine industry in general, expect to reap significant cost and resource savings if an AI-optimized set of parameters can be applied to specific machining operations. The technical scope of the proposed project involved the paving of a realistic path towards model-based and AI-enabled Integrated Computational Materials Engineering (ICME), and away from inefficient empirical process optimization and legacy manufacturing practices, which are no longer able to efficiently process novel high-performance turbine alloy materials. The project team will address the fundamental knowledge gap that currently exists within the ICME paradigm with respect to the process/structure/performance/energy impacts of finishing processes. While significant resources have been devoted to the ‘early stages’ of manufacturing, such as alloy design, primary and secondary processing, finishing processes have not been adequately integrated within ICME. To provide an actionable path towards model-based finishing process design (e.g., machining, burnishing, grinding, polishing), we will employ a novel AI-enabled process optimization paradigm, based on a computationally efficient, physics-based process simulator. Through limited experimental work to calibrate and validate our process simulator model via an advanced in-situ characterization technique and process optimization via reinforcement learning, the project will seek to demonstrate a viable alternative to the inefficient ‘legacy’ processing strategies, empirical testing and broad scope machining learning approaches, all of which fail to adequately consider complex process physics. The project team has identified an intermetallic γ-TiAl LPT alloy, which is currently being used as part of the OEM partner’s advanced gas turbine designs. This particular alloy poses significant manufacturing challenges during finishing operations, which limit the degree to which the current turbine design can be manufactured in an energy- and cost-efficient manner. Empirical testing and numerical modeling efforts to optimize processing parameters for γ-TiAl have not been able to resolve these manufacturing challenges, so the proposed physics-based AI-enabled optimization technology would offer a truly novel and transformative capability. The multi-organizational team of academic and industry experts from the UKY and the OEM partner will work together closely to demonstrate the analytical and experimental critical function and characteristic proof of concept of this novel approach.

20 FOSSIL-FUELED POWER PLANTS↗

Prediction of Fretting Crack Location and Orientation in a Single Crystal Nickel Alloy

Fretting is a structural damage mechanism arising between two nominally clamped surfaces subjected to an oscillatory loading. A critical location for fretting induced damage has been identified at the blade/disk and blade/damper interfaces of gas turbine engine turbomachinery and space propulsion components. The high- temperature, high-frequency loading environment seen by these components lead to severe stress gradients at the edge-of-contact that could potentially foster crack growth leading to component failure. These contact stresses drive crack nucleation in fretting and are very sensitive to the geometry of the contacting bodies, the contact loads, materials, temperature, and contact surface tribology (friction). Recently, a high-frequency, high-temperature load frame has been designed for experimentally investigating fretting damage of single crystal nickel materials employed in aircraft and spacecraft turbomachinery. A modeling method for characterizing the fretting stresses of the spherical fretting contact stress behavior in this experiment is developed and described. The calculated fretting stresses for a series of experiments are then correlated to the observed fretting damage. Results show that knowledge of the normal stresses and resolved shear stresses on each crystal plane can aid in predicting crack locations and orientations.

Matlik, J. F.↗

Jet Engine Exhaust Nozzle Flow Effector

A jet engine exhaust nozzle flow effector is a chevron formed with a radius of curvature with surfaces of the flow effector being defined and opposing one another. At least one shape memory alloy (SMA) member is embedded in the chevron closer to one of the chevron's opposing surfaces and substantially spanning from at least a portion of the chevron's root to the chevron's tip.

Turner, Travis L.↗

Jet Engine Exhaust Nozzle Flow Effector

A jet engine exhaust nozzle flow effector is a chevron formed with a radius of curvature with surfaces of the flow effector being defined and opposing one another. At least one shape memory alloy (SMA) member is embedded in the chevron closer to one of the chevron's opposing surfaces and substantially spanning from at least a portion of the chevron's root to the chevron's tip.

Turner, Travis L.↗