Search NASA⌕ Search

SEARCH · Search NASA

Results for “ALUMINUM OXIDE”

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 361 records · Page 20

Stress-Alteration Enhancement of the Reactivity of Aluminum Nanoparticles in the Catalytic Decomposition of exo -Tetrahydrodicyclopentadiene (JP-10)

High energy density aluminum nanoparticles (AlNP) upon thermal annealing followed by super-quenching results in elevated stress levels in the metallic core and reduced surface energy at the core-shell interface. Isomer-selective vacuum ultraviolet based photoionization mass spectrometry coupled to a high temperature chemical microreactor reveals that these stress-altered (SA) AlNPs exhibit distinctive temperature-dependent reactivities towards catalytic decomposition of the hydrocarbon jet fuel exo-tetrahydrodicyclopentadiene (JP-10, C 10 H 16 ) compared to untreated (UN) AlNPs. SA-AlNPs show a delayed initiation of the decomposition for JP-10 by 200 K relative to the UN-AlNPs, however, the full decomposition is achieved at 100 K lower temperature. Furthermore, there is less oxygenated products that are generated from the alumina surface-induced heterogeneous oxidation process, and a larger fraction of closed and open-shell hydrocarbons. Furthermore, chemical insight bridging the reactivity order of SA-AlNPs at low and high temperatures, simultaneously, is obtained via a detailed examination of the product branching ratios obtained in this study.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Gel composite electrolyte – an effective way to utilize ceramic fillers in lithium batteries

Achieving synergy between ion-conducting polymers and ceramics in a composite electrolyte has been proven to be difficult as the complicated ceramic/polymer interface presents challenges to understand and control. In this work, we report a strategy to utilize discrete ceramic fillers to form a gel composite electrolyte with enhanced transport properties for lithium metal batteries. The matrix of the composite membrane is crosslinked poly(ethylene oxide) with bis(trifluoromethane)sulfonimide lithium salt (LiTFSI). The membrane is plasticized with tetraethylene glycol dimethyl ether (TEGDME). The incorporation of doped-lithium aluminum titanium phosphate particles (LICGC™) into the membrane greatly improves the membrane's cycling characteristics against the lithium electrode, exhibiting lower interfacial impedance, lower overpotential and higher rate capability. The underpinnings of the superior performance of the gel composite electrolyte are discussed in depth. LICGC™ can immobilize the TFSI - anions in the polymer matrix and simultaneously promote Li+ transport by increasing the plasticizer to Li + ratio. Further, the transport enhancement is achieved without sacrificing mechanical properties. The composite membrane shows significantly improved handleability and processability. This work sheds light on the design strategy for a safe electrolyte towards stable Li metal batteries.

25 ENERGY STORAGE↗

THE ROLE OF FRACTURE PROPERTIES ON LAP JOINT STRENGTH OF FRICTION STIR WELDED AA7055-T6 SHEETS

Friction stir lap welded (FSLW) joints have weight-saving potential in aluminum-intensive automotive assembly. However, FSLW also modifies the material microstructure close to the joint. Optimizing the FSLW process requires understanding the relationship between the strength and the joint's microstructure. In previous studies, efforts have been dedicated to determining the effects of local softening, the shape of the oxide line, and porosity. However, the impact of changes to the fracture properties on the joint's strength has not been studied. In this work, strength testing, and simulations, aided by material characterization, were used to determine the role of fracture properties on the shear strength of a 3-sheet (aluminum alloys 7055-7055-6022) lap joint. Characterization involved testing for fracture properties in the weld region. This data was then implemented into finite element simulations. As a result, the joint strength was predicted with a deviation of less than 6% from the experimental value. Comparison with strength prediction using only the base metal properties indicates that fracture property in the nugget region determines the strength of AA7055 FSLW.

Finite element analysis, Friction stir welding, ma↗

Advanced nanoscale characterization of aluminum nanoparticles with modified surface morphology via atmospheric helium and carbon monoxide plasmas

Aluminum nanoparticles (nAl) have the potential as energetic additives in explosive/propellant formulations. Scalable methodologies must be pursued to mitigate the inactive amorphous alumina shell surrounding the active aluminum (Al) core with modified surface morphology and chemistry for increased combustion effects. This work explores the feasibility of making reactive core/shell nAl with thinned oxide shells and modified surface coatings via a two-step atmospheric plasma surface treatment process in a custom dielectric barrier discharge plasma reactor. The commercial nAl of nominal average size similar to 40-60nm was first treated with helium (He) followed by He/carbon monoxide (CO) plasmas for different durations. The resultant samples were characterized via high-resolution transmission electron microscopy (HRTEM) and Fourier transform IR (FTIR) spectra. HRTEM images revealed sporadic patchy gamma -alumina deposits on particle surfaces and in gaps among particles for all samples, suggesting the non-uniform plasma effects of the He/CO glow. Nanoscale chemical analyses via scanning transmission electron microscopy elemental mapping and x-ray energy dispersive spectroscopy were further performed. Although no carbon-associated structure appeared in electron energy loss spectroscopy (EELS) spectra, the presence of carbonaceous materials was confirmed as a thin dispersive layer evenly distributed on the nAl surface suggesting either its amorphous nature or is present at a level insufficient to generate satisfactory EELS spectra. The trend of intensity profiles for key elements acquired by drawing lines across a single particle on the elemental maps confirmed that carbonaceous materials only existed on the surface and they were most likely carboxylates that increased with increased He/CO treatment duration, as evident by FTIR results. Finally, this work demonstrated the success of atmospheric plasma-treated reactive nAl with comprehensively characterized surface features via advanced microscopy and spectroscopy.

36 MATERIALS SCIENCE↗

Microstructural modification of a high-pressure die-cast A380 alloy through friction stir processing and its effect on mechanical properties

Aluminum alloy A380 is one of the major high-pressure die-cast (HPDC) alloys fabricated in the die casting sector. However, microstructural features such as shrinkage and gas porosity, entrapped oxide inclusions, change in the morphology of eutectic Si particles as a function of casting location, and the presence of multiple second phase particulates, especially Fe-bearing phases in HPDC A380 alloy results in limited ductility, thus, affecting its structural application. However, through proper modification of the as-cast microstructure, it is possible to improve the mechanical performance of alloy A380. In this study, we report the effect of friction stir processing (FSP), a well-known severe plastic deformation (SPD) and thermomechanical processing tool for selective microstructural modification, on A380. FSP effectively refines the as-cast microstructure and breaks down the coarse Si particles, creating a homogenized distribution of equiaxed Si particles in the aluminum matrix. Additionally, FSP eliminates porosity that acts as crack initiation sites, leading to improved mechanical strength and ductility.

Friction stir processing, Aluminum alloys, Mechani↗

Spin-phonon coupling in AFM transition-metal mono-oxide

Time-of-flight INS measurements were performed on single crystal NiO with the Wide Angular Range Chopper Spectrometer (ARCS) at the Spallation Neutron Source. Experiments were performed on NiO single crystal mounted in an aluminum can and cooled using a closed-cycle helium refrigerator. Measurements were conducted at T = 100 K and 650 K, with the [HHL] scattering plane aligned horizontally. A Fermi chopper with slit spacing of 1.52mm, spinning at 300 Hz, was used to select an incident neutron energy of 100 meV. All datasets were normalized to a vanadium standard to correct for detector efficiency and solid angle coverage. The data sets include the .nxs files, the generated .hdf5 files (for use with Phonon Explorer), and Python scripts used to create them.

36 MATERIALS SCIENCE↗

Characterization, Structure, and Reactivity of Hydroxyl Groups on Metal‐Oxide Cluster Nodes of Metal–Organic Frameworks: Structural Diversity and Keys to Reactivity and Catalysis

Among the most stable metal–organic frameworks (MOFs) are those incorporating nodes that are metal oxide clusters with frames such as Zr 6 O 8 . This review is a summary of the structure, bonding, and reactivity of MOF node hydroxyl groups, emphasizing those bonded to nodes containing aluminum and zirconium ions. Hydroxyl groups are often present on these nodes, sometimes balancing the charges of the metal ions. They arise during MOF syntheses in aqueous media or in post-synthesis treatments. They are identified with infrared and 1 H nuclear magnetic resonance spectroscopies and characterized by their reactivities with polar compounds such as alcohols. Terminal OH, paired µ 2 -OH, and aqua groups on nodes are catalytic sites in numerous reactions. Relatively unreactive hydroxyl groups (such as isolated µ 2 -OH groups) may replace reactive groups and inhibit catalysis; some node hydroxyl groups (e.g., µ 3 -OH) are mere spectators in catalysis. There are similarities between MOF node hydroxyl groups and those on the surfaces of bulk metal oxides, zeolites, and enzymes, but the comparisons are mostly inexact, and much remains to be understood about MOF node hydroxyl group chemistry. It is posited that understanding and controlling this chemistry will lead to tailored MOFs and improved adsorbents and catalysts.

36 MATERIALS SCIENCE↗

DISSOLUTION OF SURROGATE U-Zr FUEL USING ALNIFLEX CONDITIONS

Non-aluminum clad spent nuclear fuel (NASNF) stored in L Basin at the Savannah River Site (SRS) is widely varied in fuel composition, design, packaging, and physical condition. The complexity of the NASNF inventory presents significant challenges, and technology development is necessary for successful disposition. One such fuel in the inventory is metallic uranium-zirconium (U-Zr) alloy fuel, the focus of this study. Electrolytic or nitric acid only dissolution of metallic U-Zr alloy can form insoluble zirconium oxide, which results in up to 52% loss of U to insoluble solids, and can be subject to potentially uncontrolled oxidation reactions [1, 2]. The AlNiflex process was determined to be a viable dissolution flowsheet for the U-Zr alloy fuel. Under a narrow set of solution concentrations, a combination of hydrofluoric acid (HF), nitric acid (HNO3), aluminum nitrate (Al(NO3)3), and hexavalent chromium can safely dissolve U-Zr intermetallic alloys, keep Zr soluble, and not significantly corrode stainless steel (SS) vessels [3, 4.

Gogolski, Jarrod M. [Savannah River National Labor↗

Nanostructured mixed metal oxides as catalysts and method of making thereof

A method of forming a metal oxide material having a rod shape or polyhedral nanostructure includes preparing a first reverse micro-emulsion system comprising an aqueous precipitating agent dispersion and a second reverse micro-emulsion system containing an aqueous metal salt dispersion; combining the micro-emulsions together to initiate a reaction; allowing the reaction to continue to form a product mixture comprising a metal oxide gel and aqueous media; separating the metal oxide gel from the aqueous media; collecting the metal oxide gel; and calcining the metal oxide gel to form the metal oxide material. The metal oxide material corresponds to the chemical formula of La2MxNi1-xO4, Pr2-yAyNiO4, or La2-zDzNiO4, wherein M is copper, cobalt, iron, manganese, chromium, aluminum, or platinum; A is lanthanum or neodymium; D is calcium, barium or strontium; x ranges from 0 to 1; y ranges from 0 to 2; and z ranges from 0 to 0.25.

Nikolla, Eranda↗

Analysis of Using a Hybrid ZIRCEX Process to Generate High-Assay Low-Enriched Uranium (HALEU) - 20158

Idaho National Lab (INL) is investigating the feasibility of providing High-Assay Low Enriched Uranium (HALEU) by recovering Highly Enriched Uranium (HEU) from spent nuclear fuel (SNF) and downblending the HEU with natural, low-enriched, or depleted uranium (NU, LEU, or DU). That investigation identified that significant quantities of HALEU could be produced with a Hybrid ZIRCEX process to further advanced reactor research while reducing INL's environmental liability. Many new advanced reactor designs are being developed with improved safety, efficiency, and economics. Most require nuclear fuel with U-235 enrichment between 5% and 20%, which is defined as HALEU. Although technically feasible, there is no current domestic capability to make HALEU in the US. While it is anticipated that industry will provide HALEU through commercial enrichment once advanced reactors mature, until a market is established, an interim source of HALEU is needed to enable research and demonstration. An interim source of HALEU could be provided by recovering the HEU in some DOE-managed SNF and downblending it to between 5% and 20% using the Hybrid ZIRCEX Process. ZIRCEX is a dry head-end process to remove cladding (zirconium or aluminum) from SNF. Drying of the SNF is needed prior to introduction to ZIRCEX. After cladding removal, uranium and fission products in the bed material are oxidized and elutriated. In a Hybrid ZIRCEX process, the HEU process stream is sent to a very compact, modular solvent extraction process for uranium purification. The uranyl nitrate from solvent extraction is denitrated and calcined to produce a HALEU product ready for fuel fabrication. The long-lived fission products from solvent extraction are immobilized in glass using a small in-can melt. By removing the cladding before dissolution, the volume of glass waste is reduced by a factor of up to 300 times (when compared to not removing the cladding from the fuel). Other radioactive wastes from the process could be disposed of as Class A or Class B low-level waste. In addition to producing HALEU for advanced reactors, consumption of SNF would reduce DoE's environmental liability. Incorporating low-enriched spent fuel (versus exclusive use of LEU, DU, or NU) into the downblending scheme could reduce the SNF inventory even further. Several downblending and enrichment scenarios using INL fuels were investigated in this study. The results of this analysis show that the Hybrid ZIRCEX process could make a significant contribution to needed HALEU feedstock and reduce the environmental liability of managing SNF at INL. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Pilot-Scale Testing of an Integrated Circuit for the Extraction of Rare Earth Minerals and Elements from Coal and Coal Byproducts Using Advanced Separation Technologies

The primary objective of this project was to develop and demonstrate an integrated pilot-scale circuitry for recovering high-value rare earth elements (REEs) from coal and coal byproducts. The target performance was to produce a mixed REE product with content of at least two percent by weight on a dry mass basis in a cost-effective and environmentally benign manner. During the first nine months of the project period (Phase 2 Budget Period 2), pilot plant construction was completed including all field site startup activities such as permitting, engineering design, procurement/bidding, unit fabrication, site construction, equipment installation, module assembly, safety training, and circuit shakedown. During the remaining 21 months of project period (Phase 2 Budget Period 3), detailed field-testing activities were performed including feedstock sample collection and preparation, exploratory testing, circuit modification, detailed parametric study, and performance optimization. A detailed techno-economic analysis was performed based on the pilot plant testing findings which provided various scenarios for REE production. The project successfully accomplished the proposed target performance by producing mixed rare earth oxide (REO) with greater than 90% purity by weight in a continuous pilot scale operation from two distinctly different coarse refuse materials (i.e., West Kentucky No. 13 and Fire Clay coal seams), and at least three secondary sources (i.e., heap leach process and naturally formed acid mine drainage system). Project partners included the University of Kentucky, Virginia Tech, West Virginia University, Alliance Coal, Blackhawk Mining, Mineral Refining Company, and Mineral Separation Technologies. The pilot scale test facility was constructed at a former mining complex owned by Alliance Natural Resource Partners (Alliance Coal). The site was rehabilitated to accommodate the equipment installation, construction and fabrication, electrical power requirement, water line management and containment. The process units constructed and installed included X-ray sorting unit, crushing and grinding unit, physical separation unit, acid leaching unit, solvent extraction unit, and wastewater management unit. A rare earth mineral concentration unit was constructed as a standalone unit for flexible operation. A detailed environmental assessment and control plan was carried out to identify and quantify any potential impacts of the pilot-scale processing circuitry on the human and eco-system health and well-being. Corresponding mitigation strategies and control measures were provided. A conceptual flowsheet was developed to effectively remove thorium and uranium from high purity rare earth oxide mix or any potential radionuclide enriched stream. The two distinct feedstock materials were secured from the Blackhawk Mining Complex in eastern Kentucky where the Fire Clay (Hazard No. 4) seam is processed. The West Kentucky No. 13 (Baker) coarse refuse material was collected from an active process stream at an Alliance coal preparation plant located in western Kentucky. Characterization analysis indicated that both of feed materials generated from the two sources contained >300 ppm of TREEs on a dry whole mass basis which met the requirements for a qualified feed stock. The two feedstocks were further upgraded using a dual x-ray sorter to prepare the feed material for hydrometallurgical circuit. Thermal treatment on feed material prior to leaching was found to: 1) improve the leaching recovery of REEs, 2) increase the leaching kinetics, and 3) allow the leaching reaction to occur at lower acidity. Roasting at 600°C was selected as the pre-treatment condition for both West Kentucky No. 13 and Fire Clay coarse refuse material. Over 40% of leaching recovery was achieved by roasting West Kentucky No. 13 material having a top particle size of 3 mm in the pilot scale operation using 1.2M sulfuric acid leaching at 75OC. Initial pilot scale testing involved continuous operation of the pilot plant for 94 hours. The leaching unit was operated at solid-to-liquid ratio of 1 to 10 (w/v) using 0.5M sulfuric acid solution at a temperature of 75°C. The continuous solvent extraction circuit utilized rougher and cleaner units with DEHPA and TBP as the extractants. An innovative stripping circuit was developed to accumulate the REE concentration in the stripping solution to a level above 600 ppm. A bleed stream from the recycled strip solution was treated using oxalic acid precipitation which produced a high grade rare earth oxalate. The oxalate product was roasted to remove the oxalate which produced a rare earth oxide product having a purity greater 90%. Due to high concentrations of contaminant ions in the pregnant leach solution (PLS), a modified flowsheet was developed that involved pre-concentration of the REEs using multiple stages of precipitation and redissolution. The advantage of this process was improved removal of contamination before the downstream purification process and a significant cost reduction relative to the circuit that utilized the solvent extraction process. The modified circuitry included processes involving leaching, multistage precipitation, redissolution, and oxalate precipitation followed by roasting of the oxalate product. The circuit produced a mixed REO that was 92.96% pure from the initial test. A detailed parametric test plan was carried out which involved varying key parameters including solids feed rate, acid flowrate, acid concentration, multistage precipitation pH, redissolution pH, oxalate precipitation dosage and pH. The response variables included REE recovery, contaminant recovery, REO product grade and overall chemical consumption. Test results indicated that the acid-to-solid ratio is the key parameter to leaching efficiency as performance deteriorated with an increase in solids concentration. The optimal pH determined for REE precipitation and redissolution was 6.5 and 2.5, respectively. Additional tests were conducted to further improve the flowsheet. Recirculating a portion of the PLS to the feed of the leach tanks improved the leaching performance by lowering the pH of the leaching system and reducing the contamination recovery by shortening the residence time. Moreover, the removal of Al prior to REE precipitation significantly reduced the oxalic acid consumption in the oxalate precipitation circuit. The modified circuit produced over 90% grade REO by weight from both West Kentucky No. 13 and Fire Clay coarse refuse material in pilot scale continuous test programs. A case analysis model was developed to project the REE and major contaminants concentration in each PLS stream based on the leaching condition, pH cut point, and oxalic acid dosage. A correlation was established using empirical and semi-empirical models. Using the models, chemical consumption required for each stage was predicted based on the projected performance of the hydrometallurgy circuit. After identifying the optimum conditions, validation tests were carried out for the treatment of both West Kentucky No. 13 and Fire Clay coarse refuse materials in the pilot plant. The actual circuit performance and chemical consumptions were very close to the model predictions. Other than the two coarse refuse sources, several secondary feedstocks were also tested in the pilot plant facility. A “heap leach” system was constructed using the coarse refuse material generated from cleaning the West Kentucky No. 13 seam coal. Using the two stage SX rougher and cleaner circuit, a concentrate with a grade >90% REO was produced while recovering >97% of the REEs from the heap leach PLS. Naturally generated acid mine drainage (AMD) from West Kentucky No.13 mine was processed using the multistage precipitation circuit in the pilot plant in a test conducted for a period of 32 hours. The final grade of the mix RE oxide produced from the AMD was 90.84% with an overall circuit recovery of 64%. The primary source of REE was the selective precipitation steps involving iron and aluminum rejection. The hydrophobic-hydrophilic separation (HHS) process was proven to effectively recover coal from fine waste materials. For REM recovery, the HHS process was able to produce concentrates at grades of approximately 1.8% REE on an ash basis; however, recovery values were typically low, <10%, under the optimal conditions determined in the laboratory-scale testing. Staged testing of the pilot-scale HHS process for coal recovery and semi-continuous laboratory testing for REM testing showed that a total concentration ratio of more than 15x was observed for the REM recovery process. A circuit simulation package was developed for REE extraction and purification using a spreadsheet-based platform (Microsoft Excel). The REESim circuit simulation package is configured to track the mass and volume flows of components passing through a series of unit operations specified and configured by the user. The mass rates can then be utilized by the user to determine important performance indicators such as product mass yields, concentrate purity levels, element-by-element recoveries, and so forth. The techno-economic analysis showed that the roasting and leaching operations were the most expensive capital items, each contributing approximately 30% to the total capital cost. One notable contributor to the high production costs was the low REE recovery observed in the pilot scale trials. The product basket price was shown to have a strong influence on the economic viability of the scenarios, with the scandium price being the most significant influencer. Operating cost was shown to be extremely sensitive to REE recovery, REE feed grade, and leaching acid consumption. An analysis of ten different scenarios for a 500 t/h commercial operation revealed that three were economically favorable, producing internal rates of return varying from 27.7% to 33.1% and payback periods of 4 to 5 years. The project successfully developed and demonstrated a process to recover REEs from coal and coal byproducts in a pilot-plant operation which consistently produced over 90% grade REO mix from varies types of feedstocks. Commercialization analysis showed that the technology readiness level successfully achieved TRL 6 at the end of the project and demonstrated the need and the potential for scaling the process to further advance the technologies toward the goal of providing a domestic supply of REEs at a commercial scale.

01 COAL, LIGNITE, AND PEAT↗

Chain extension epoxide polymerization to well‐defined block polymers using a N‐Al Lewis pair catalyst

Block polyethers comprised of poly(propylene oxide) (PPO) and poly(ethylene oxide) (PEG or PEO) segments form the basis of ABA-type PEO-b-PPO-b-PEO poloxamer materials. The inverse architecture with an internal hydrophilic PEO segment flanked by hydrophobic blocks can be difficult to prepare with control of architecture by use of traditional anionic polymerization. These oxyanionic polymerizations are plagued by chain-transfer-to-monomer side reactions that occur with substituted epoxides such as propylene oxide (PO). Herein, we report a new method for the preparation of block polymers through a controlled polymerization involving a N-Al Lewis adduct catalyst and an aluminum alkoxide macroinitiator. The Lewis pair catalyst was able to chain-extend commercial PEO macroinitiators to prepare di-, tri-, and pentablock polyethers with low dispersity and reasonable monomer tolerance. Chain extension was confirmed using size exclusion chromatography and diffusion ordered nuclear magnetic resonance spectroscopy. In conclusion, the resulting block polymers were additionally analyzed with small-angle X-ray scattering to correlate the morphology to molecular architecture.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Rapid Laser Reactive Sintering of Garnet Li 6.1 La 3 Zr 2 Al 0.3 O 12 Solid-State Electrolyte

All solid-state lithium-ion batteries (ASSLIBs) have gained significant interest in recent years due to their wide range of applications, including mobile devices, electric vehicles, and grid storage. Garnet-type Li 7 La 3 Zr 2 O 12 (LLZO) solid-state electrolyte (SSE) continues to be a significant player in the fabrication of ASSLIBs with excellent ionic conductivity on the order of 10 -3 S•cm -1 with the integration of dopants and sintering aids to assist conductivity and structural evolution during the sintering procedure. Traditional sintering techniques, such as solid-state sintering (SSS), have been proven to yield desirable crystal structures. However, the low ionic conductivity results from inferior microstructure, and lithium loss is a significant challenge. Recently, a relatively novel sintering process called rapid laser reactive sintering (RLRS) has shown great potential for achieving fully dense solid oxide electrolytes with less surface element loss, resulted in high ionic conductivity. Here, we applied the same RLRS method to fabricate LLZO dense electrolyte with different amounts of aluminum dopants. We hope the rapid high-temperature sintering can densify the electrolyte and avoid the lithium loss for achieving high lithium-ion conductivity. In this work, we optimized multiple combinations of laser parameters (speed, power, and defocus distance), initial precursor composition, and controlled atmospheres to discover the optimal conditions for reaching the efficacious crystal structure, microstructure, and ionic conductivity.

25 ENERGY STORAGE↗

Corrosion behavior of ferritic FeCrAl alloys in simulated BWR normal water chemistry

Ferritic iron-chromium-aluminum (FeCrAl) alloys with varying Cr content were subjected to in-situ irradiation-corrosion with energetic protons or electron beams in pure water with various oxygen concentrations. Oxide microstructure and composition were characterized to compare the corrosion under irradiation with the thermal corrosion in the same water conditions. The dominant effect seems to be the production of H 2 O 2 at the surface by the intense proton and electron beams. The corrosion potential of FeCrAl under BWR-NWC condition is somewhat above the Cr 2 O 3 /CrO 4 2- phase boundary, oxidizing the Cr(III) to Cr(VI) in the outer part of the film, but with some Cr(III) remaining in the interior of the oxide. The beam increases the corrosion potential, significantly reducing Cr(III) content throughout the oxide. Finally, the crystallites on the surface, which form by re-precipitation from solution, do not contain Cr because at low potential Cr(III) is not soluble, and at high potential Cr(VI) is quite soluble.

36 MATERIALS SCIENCE↗

Microjet printing of metal salt or oxide targets for nuclear reaction studies on radionuclides

Radioactive targets for direct measurements of neutron-induced reactions are required to improve evaluated cross-section data and, ultimately, the fidelity of neutron reaction network simulations. Electrodeposition and molecular plating are the current state-of-the-art radioactive target production techniques, but not all metals can be electrodeposited or molecular plated with high yields. Alternative techniques can be expensive or may produce targets that are unsatisfactory in terms of thickness, yield, or purity. Microjet printing is a new, rather inexpensive technique that utilizes equipment with a small footprint and has the potential to produce thin, highly radioactive targets with good uniformity and minimal impurities from the target fabrication process. This study involved optimizing the process of producing microjet printed targets to allow for the fabrication of a stable vanadium(V) oxide (V 2 O 5 ) target that was compared with an analogous electrodeposition V 2 O 5 target manufactured via the application of a vanadium chemical conversion coating on aluminum (Al) foil. Finally, the results from these studies suggest microjet printing could be used to produce relatively uniform target layers with adequate film thicknesses (< 15 μm). V 2 O 5 microjet printed targets, when compared with chemical conversion coating V 2 O 5 targets, appeared to be qualitatively less uniform and quantitatively larger in thickness (11.7(27) μm vs. 5.3(18) μm). However, the conversion coating target contained more impurities and the Al backing had a higher background contribution to measurements of neutron-induced reactions as opposed to targets produced via microjet printing. Overall, the results from this study suggest microjet printing has the capability to be an excellent alternative target production technique to the electrodeposition and molecular plating methods.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Integrated Circular Economy Model System for Direct Lithium Extraction: From Minerals to Batteries Utilizing Aluminum Hydroxide

Aluminum hydroxide, an abundant mineral found in nature, exists in four polymorphs: gibbsite, bayerite, nordstrandite, and doyleite. Among these polymorphs gibbsite, bayerite, and commercially synthesized amorphous aluminum hydroxide have been investigated as sorbent materials for lithium extraction from sulfate solutions. The amorphous form of Al(OH) 3 exhibits a reactivity higher than that of the naturally occurring crystalline polymorphs in terms of extracting Li + ions. This study employed high-temperature oxide melt solution calorimetry to explore the energetics of the sorbent polymorphs. The enthalpic stability order was measured to be gibbsite > bayerite > amorphous Al(OH) 3 . The least stable form, amorphous Al(OH) 3 , undergoes a spontaneous reaction with lithium, resulting in the formation of a stable layered double hydroxide phase. Consequently, amorphous Al(OH) 3 shows promise as a sorbent material for selectively extracting lithium from clay mineral leachate solutions. Further, this research demonstrates the selective direct extraction of Li + ions using amorphous aluminum hydroxide through a liquid–solid lithiation reaction, followed by acid-free delithiation and relithiation processes, achieving an extraction efficiency of 86%, and the maximum capacity was 37.86 mg·g –1 in a single step during lithiation. With high selectivity during lithiation and nearly complete recoverability of the sorbent material during delithiation, this method presents a circular economy model. Furthermore, a life cycle analysis was conducted to illustrate the environmental advantages of replacing the conventional soda ash-based precipitation process with this method, along with a simple operational cost analysis to evaluate reagent and fuel expenses.

25 ENERGY STORAGE↗

Silicon alloying enhances fast heating rate combustion of aluminum particles

Alloys and composites of aluminum (Al) have shown promise in regulating and enhancing particle combustion for energy generation applications. Recent work on aluminum-silicon (Al-Si) spherical alloy particles has shown improved combustion at low heating rates through enhanced diffusion accompanying a lower melting temperature. This study extends reactivity analysis to higher heating rates, comparing oxidation of Al-Si with Al. Flame speeds of Al-Si powder mixed with molybdenum trioxide (MoO 3 ) powder (Al-Si+MoO 3 ) exhibited a faster transition to steady propagation relative to Al+MoO 3 . Bomb calorimetry experiments revealed up to 5.8% greater early temperature rise for Al-Si powder. Rapid steady propagation for Al-Si mixture and faster temperature rise for Al-Si particles were attributed to accelerated kinetics evidenced in thermal equilibrium analysis of the mixtures using a differential scanning calorimeter (DSC). Larger DSC exotherms in the early stages of oxidation (i.e., 480–720 °C) correlated with early heat release and promoted steady flame propagation for Al-Si+MoO 3 compared with Al+MoO 3 . Furthermore, in multiple heating rate DSC studies, Al-Si+MoO 3 ignited at a lower heating rate (i.e., 15 ⁰C/min) than Al+MoO 3 (i.e., 20 ⁰C/min). Both mixtures ignited at temperatures less than 625 °C which is above the melting temperature of Al-Si (574 °C) and below Al (659 °C). Thus, alloy particle fuels with enhanced diffusion-controlled kinetics promote steady flame propagation and show promise for energy generation applications. This is especially promising for technologies driven by enhanced condensed phase combustion such as some propellant additives or applications dependent on reliable burn rates such as pyrotechnic time delay formulations and primers.

36 MATERIALS SCIENCE↗

First Principles Determination of the Potential-of-Zero-Charge in an Alumina-Coated Aluminum/Water Interface Model for Corrosion Applications

The surfaces of most metals immersed in aqueous electrolytes have a several-nanometer-thick oxide/hydroxide surface layer. This gives rise to the existence of both metal|oxide and oxide|liquid electrotlyte interfaces, and makes it challenging to correlate atomic length-scale structures with electrochemical properties such the potential-of-zero-charge (PZC). The PZC has been shown to be correlated the onset potential for pitting corrosion. Here, we conduct large-scale Density Functional Theory and ab initio molecular dynamics to calculate the PZC of a Al(111)| γ -Al 2 O 3 (110)| water double-interface model within the context of aluminum corrosion. By partitioning the multiple interfaces involved into binary components with additive contributions to the overall work function and voltage, we predict the PZC to be -1.53 V vs SHE for this model. Furthermore, we calculate the orbital energy levels of defects like oxygen vacancies in the oxide, which are critical parameters in theories associated with pitting corrosion. We predict that the Fermi level at the PZC lies above the impurity defect levels of the oxygen vacancies, which are therefore uncharged at the PZC. From the PZC estimate, we predict the voltage needed to create oxygen vacancies with net positive charges within a flatband approximation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗