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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 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Upcycling Polycrystalline LiNi1/3Mn1/3Co1/3O2 to High-Performance Large-Grained LiNi0.6Mn0.2Co0.2O2 via Simplified Polyol-Mediated Recycling

The escalating demand for lithium-ion batteries (LIBs) necessitates advanced recycling strategies that can address both resource scarcity and environmental impact. While conventional hydrometallurgy shows promise, it is challenged by complexity, impurity management, and environmental footprint. Here, we report a strategic polyol-metallurgy recycling process that efficiently transforms spent polycrystalline LiNi1/3Mn1/3Co1/3O2 (NMC111) into high-performance large-grained LiNi0.6Mn0.2Co0.2O2 (NMC622), offering dual benefits of compositional upcycling and morphology upgradation. Our approach leverages a polyol system with meticulous control over nickel salt addition and the precipitation process. This yields upcycled cathode materials possessing excellent structural integrity, well-defined large-grained particles (5-10?..mu..m), and robust electrochemical performance, including a specific capacity of ~182 mAh g-1 at C/10 and 88.0% capacity retention after 100 cycles. This facile and multifunctional process provides an environmental-friendly pathway for advanced cathode recycling, significantly contributing to a circular economy for LIBs through precise control over critical material attributes.

25 ENERGY STORAGE↗
DOE OSTI2022

Advances in metal–organic framework-based hydrogel materials: preparation, properties and applications

Although metal–organic frameworks (MOFs) with intriguing physiochemical properties have recently attracted increasing attention of researchers, MOFs have not adequately achieved various applications due to their instability and unsatisfactory processability. Hence, MOF-based composites as well as structurally novel MOFs have been established to solve this challenge. Recently, some efforts have been made for the development of MOF-based hydrogels. They exhibit excellent properties compared to initial MOFs in many ways (e.g., mechanical strength, absorption capacity and total pore volume). In this review, the up-to-date research progress of MOF-based hydrogels will be briefly summarized. Here, we mainly focus on expounding the classification of MOF-based hydrogels and their related synergistic effects. As to details, we will provide a conspectus of laconic and latest approaches for the synthesis of MOF-based hydrogels, focusing on composite systems, mechanism research, and stability. In addition, the applications of MOF-based hydrogels have been widely discussed, particularly in the environmental, energy and medical aspects. It is hoped that the detailed description of this review can help researchers working on MOF-based hydrogels to develop more novel composite materials and investigate their wider application.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Effects of Critical Compression Ratio on Rating Gasoline Knock Propensity

It is common practice in the automotive industry to explore the knock limits of fuels on an engine by a comparison of the knock limited spark advance (KLSA) at threshold knock intensity. However, the knock propensity of gasolines can be rated by changing one of three metrics on a variable compression ratio Cooperative Fuels Research (CFR) octane rating engine while holding the other two variables constant: knock intensity, spark timing, and critical compression ratio. The operational differences between the standard research octane number (RON) rating and modern engine operation have been explored in three parts. The first part focused on the effects of lambda and knock characterization. The second part studied the effects of spark timing. This third part explores the knock ratings of several gasolines by comparing the critical compression ratios at constant combustion phasing and knock intensity. The threshold knock intensity was based on the standard octane rating D1 pickup or by maximum amplitude of pressure oscillations (MAPO) measured by a piezoelectric cylinder pressure transducer. Several Fuels for Advanced Combustion Engines (FACE) gasolines, primary reference fuels (PRFs), and toluene standardization fuels (TSFs) were tested on a CFR octane rating engine with advanced data acquisition equipment and a piezoelectric cylinder pressure transducer. These tests deviated from the ASTM D2699 standard octane rating procedure. For each test fuel, the CFR engine was operated at stoichiometry at a constant combustion phasing (CA50) and the compression ratio was modified until a threshold knock intensity was realized. It was found that the chemical composition of the fuels affected the relationship of critical compression ratios between the D1 knockmeter and piezoelectric pressure transducer knock intensity thresholds, as well as the measured combustion maximum pressure rise rate and spark timing setting for constant CA50. For highly aromatic fuels tested at a constant MAPO knock intensity threshold, it was found that the maximum pressure rise rate was two to three times higher than that of highly paraffinic fuels with similar RON and the spark advance was several crank angle degrees less for constant combustion phasing.

Kolodziej, Christopher P↗
DOE OSTI2024

Predictive binder jet additive manufacturing enabled by clean burn-off binder design

Binder jet additive manufacturing (BJAM) presents an avenue for advanced manufacturing of various high-value materials due to high deposition rates, scalability, and geometric flexibility. However, conventional organic binders in BJAM introduce residual carbon upon pyrolysis, often leading to imprecise alloy composition in the final sintered part. The undesirable residual carbon from binder burn-off limits the application of BJAM for high-performance alloys due to their high sensitivity to carbon addition. In this study, we have designed poly(vinylpyrrolidone-co-vinyl acetate) (PVP-VAc) as a clean burn-off binder for BJAM, where excess oxygen groups in VAc enable cleaner burn-off and reduce residual carbon retention. Compared to a widely used commercial binder, the optimized PVP-VAc binder reduced residual carbon retention by over 90% in H13 tool steel. The significant reduction in residual carbon enables predictable printing and subsequent sintering of complex H13 tool steel geometries, an alloy known to have substantial challenges around distortion due to the sintering window shifting from carbon addition. The design of a clean burnout binder provides a major path forward for BJAM by enabling new AM designs and applications for composition-sensitive high-performance alloys, such as nickel-based superalloys, titanium alloys, and high alloyed steels.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Structure and Shape of Surface-Mediated Assembly of Surfactants

Achieving controls on the self-assembly of cationic and block copolymer micelles has significant implications for advancing novel material systems for energy, environmental, and biological applications and for tuning fluid flow behavior in subsurface geologic environments. While it is known that the aggregation of micelles is influenced by the composition of the surrounding fluid, the influence of a solid interface has been less explored. In this study, we probe the organization of cetyltrimethylammonium bromide (CTAB) micelles in the absence and presence of the Pluronic P123 block copolymer and quartz substrate using transmission and grazing-incidence small-angle X-ray scattering measurements and classical molecular dynamics (MD) simulations. In the absence of the quartz interface, CTAB with and without P123 molecules assemble as ellipsoid core–shell micelles. Densification of the core on adding P123 is noted from the decrease in the core radius from 15.9 to 14.6 Å. Here, the presence of a quartz substrate causes the micelles to elongate, which is noted by the emergence of a power-law slope in the low q region (<0.02 Å –1 ). Moreover, in the presence of both P123 and the quartz substrate, the micelle shape changes from ellipsoid core–shell to cylindrical core–shell, and a significantly higher number of aggregates are formed. The higher number of aggregates, and faster aggregation kinetics are linked to the organization of the solvent structures as noted from the MD simulations. These findings demonstrate the effects of adding a block copolymer and including a quartz substrate on the self-assembly of cationic (CTAB) micelles, which can be used to inform the design of functional material systems that harness surfactant chemistries.

42 ENGINEERING↗
DOE OSTI2024

Ce- and Ni-Codoped Double PrBaMn 2 O 5 Perovskite as a Ceramic SOFC Anode

This study explores the efficacy of cerium introduction, both on its own and in combination with nickel, into PrBaMn 2 O 5+δ (PBM) structures to enhance solid oxide fuel cell (SOFC) anodes. We synthesized Pr 1–x Ce x BaMn 2 O 5+δ compositions for x values of 0.05 (PrCe5) and 0.1 (PrCe10), as well as a nickel-doped variant (PrCe5Ni), assessing their performance under H 2 – 3% H 2 O reducing conditions pertinent to SOFC anode operations. Our findings reveal that the PrCe5 composition exhibits a thermal expansion coefficient (TEC) that not only improves upon that of the Ce-free counterpart but also aligns closely with the TEC standards of prevalent SOFC electrolytes. A notable advancement was achieved with the application of a 3.5 μm gadoliniadoped ceria (GDC) buffer layer through physical vapor deposition, effectively mitigating chemical interactions between PBM-based anodes and yttria-stabilized zirconia (YSZ) electrolytes, a concern highlighted by in situ neutron diffraction analyses. Electrochemical impedance spectroscopy, conducted over 220 h in a H 2 –3% H 2 O atmosphere at 750 °C, demonstrated that the optimal 3.5 μm thickness of the GDC buffer layer significantly minimizes the area-specific resistance (ASR) degradation rate to 0.002 Ω cm 2 /h, markedly outperforming both thinner (1 μm) and thicker (8 μm) GDC layers, which showed higher degradation rates of 0.15–0.2 Ω cm 2 /h due to the diffusion of Ba ions or delamination. Moreover, cerium doping fosters superior microstructural stability and obviates barium diffusion, thereby suggesting an enhanced durability of the doped anodes over their lifespan. Integrating nickel into the PrCe5 structure halved the ASR to 0.5 Ω cm 2 at 750 °C, situating it well within the ideal performance range for SOFC anodes. Furthermore, the enhancement brought about by simultaneously doping PBM with cerium and nickel, which fundamentally relies on the critical contributions of defect chemistry and crystal structure, highlights the significance of these fields in creating sophisticated materials for energy related applications.

25 ENERGY STORAGE↗
DOE OSTI2023

The effect of rare earth (RE 3+ ) ionic radii on transparent lanthanide-tellurite glass-ceramics: correlation between ‘hole-formalism’ and crystallization

Rare earth (RE) doped transparent tellurite glass-ceramics (GCs) are widely explored for their application as advanced photonic materials. Specifically, the growth of RE based “anti-glass” crystalline phases in transparent GCs enhances their effective functionality. Enormous studies on the properties of GCs revealed that optimization of glass composition and heat-treatment schedule are the foremost factors that affect the transparency of the GCs. Nevertheless, the direct effect of RE 3+ ions on the crystallization mechanism of glass has hardly been reported. Therefore, a base glass of the composition La 2 O 3 –Gd 2 O 3 –TiO 2 –TeO 2 (LGTT) is doped with RE 3+ ions (Ce 3+ , Pr 3+ , Nd 3+ , Sm 3+ , Eu 3+ , Tb 3+ , and Dy 3+ ) with varied ionic radii. Rietveld refinement from XRD of GCs confirms that (La/Gd) 2 Te 6 O 15 phases are precipitated, where dopants Ce, Pr and Nd occupy La sites, while Sm, Eu, Tb, and Dy occupy Gd sites. The configurational heat-capacity (ΔC p ) from DSC is found to be lower for larger ionic radii REs (Ce, Pr, Nd) than smaller ionic radii REs (Sm, Eu, Tb, Dy) thereby exhibiting higher chemical ordering followed by faster crystal growth rate in the former. However, the transparency retention profile of different RE-doped GCs follows the trend Eu:Tb > Sm:Dy > Nd > Pr > Ce, confirming the ionic radii effect. In addition to the ionic radii effect, in this work, we propose a ‘Hole-Formalism’ concept to explain the observed trend. It is further corroborated with an identical neutron diffraction pattern and ΔC p values for these ion pairs Sm 3+ : Dy 3+ (4f 5 : 4f 9 ) and Eu 3+ : Tb 3+ (4f 6 : 4f 8 ) results in a similar crystallization mechanism, transmission profile and fine-scale microstructures of these RE-based tellurite GCs.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Structure of V-defects in long wavelength GaN-based light emitting diodes

The V-defect is a naturally occurring inverted hexagonal pyramid structure that has been studied in GaN and InGaN growth since the 1990s. Strategic use of V-defects in pre-quantum well superlattices or equivalent preparation layers has enabled record breaking efficiencies for green, yellow, and red InGaN light emitting diodes (LEDs) utilizing lateral injection of holes through the semi-polar sidewalls of the V-defects. In this article, we use advanced characterization techniques such as scattering contrast transmission electron microscopy, high angle annular dark field scanning transmission electron microscopy, x-ray fluorescence maps, and atom probe tomography to study the active region compositions, V-defect formation, and V-defect structure in green and red LEDs grown on (0001) patterned sapphire and (111) Si substrates. We identify two distinct types of V-defects. The “large” V-defects are those that form in the pre-well superlattice and promote hole injection, usually nucleating on mixed (Burgers vector b = ±a±c⁠) character threading dislocations. In addition, “small” V-defects often form in the multi-quantum well region and are believed to be deleterious to high-efficiency LEDs by providing non-radiative pathways. The small V-defects are often associated with basal plane stacking faults or stacking fault boxes. Furthermore, we show through scattering contrast transmission electron microscopy that during V-defect filling, the threading dislocation, which runs up the center of the V-defect, will “bend” onto one of the six {10$\overline{1}$1} semi-polar planes. In conclusion, this result is essential to understanding non-radiative recombination in V-defect engineered LEDs.

42 ENGINEERING↗
DOE OSTI2022

Predicting initial dissolution rates using structural features from molecular dynamics simulations

Predicting chemical durability of glass materials is important for various applications from daily life such as drink glass and kitchen ware to advanced technologies such as nuclear waste disposal and biomedicine. In this work, we explored prediction of initial dissolution rate through structural features from molecular dynamics (MD) simulations for a wide range of glass compositions (total 28) including borosilicate and aluminosilicate glasses, ZrO 2 -containing and V 2 O 5 -containing boroaluminosilicate glasses. The initial dissolution rates (r 0 ) measured experimentally at 90 °C with varying solution conditions were correlated with structural features (e.g., polyhedral linkages and non-bridging oxygen species) obtained from MD simulations, either from this study or from literature. Since hydrolysis of the glass network through breaking of the network former linkages (e.g., Si-O-Si, Si-O-Al, etc.) is a critical step of network glass dissolution, the statistics of these linkages obtained from MD were correlated to r0 through linear regression, where the coefficient of determination (R 2 ) and root mean square error are found to be 0.949 and 0.681, respectively. This model was compared and discussed with existing models developed by various approaches including machine learning, the kinetic rate equation, topological constraint theory, and other descriptors from MD simulations. The discussion provides insights on future model improvements to predict glass dissolution. In addition, the impact of V 2 O 5 on the glass dissolution was examined in detail, implicating that the impact is not the same across all glass compositions and test conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Post-Irradiation Examinations of the ATF Experiments - 2020 Status

This report contains the results of post-irradiation examination (PIE) of both Accident Tolerant Fuels-1 (ATF-1) rodlets and ATF-2 rodlets irradiated in the Advanced Test Reactor (ATR). The experiment is part of the U.S. Department of Energy (DOE) Nuclear Technology Research and Development (NTRD) program’s Advanced Fuels Campaign (AFC). The ATF-1 PIE focused on the continuation of the analyses of five rodlets, one containing U 3 Si 2 fuel, two containing UN-U 3 Si 5 composites, and two with UN-U 3 Si 2 composites. The non-destructive examinations of the U 3 Si 2 rodlet showed results comparable to the previously investigated rodlets. The profilometry of the UN-U 3 Si 2 composites highlighted permanent deformation of the cladding at the pellet-pellet interface, suggesting that hourglassing of the composite pellet occurred during irradiation, causing increased localized stresses on the Zirlo cladding tube due to Pellet-Cladding Mechanical Interaction (PCMI). The UN-U 3 Si 5 rodlets, which were contained in Kanthal cladding, did not show enhanced cladding deformation at the pellet interfaces; however, it is to be noted that the initial gap of these two rodlets was larger than typical light water reactor (LWR) gaps. The larger gap might have been sufficient to accommodate the fuel swelling without having contact between the fuel and cladding, explaining the absence of PCMI. Regarding the fission products, no axial redistribution of the major gamma emitters was observed in any of the composite rodlets. Fission gas measurements on the UN-U 3 Si 5 rodlets also has been performed. The estimated fission gas release, based on the calculated fission product inventory, remains limited, with a higher fission gas release for the rodlet that experienced a higher power.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Irradiation Testing of Ultrasonic Transducers

Ultrasonic technologies offer the potential for high accuracy and resolution in-pile measurement of numerous parameters, including geometry changes, temperature, crack initiation and growth, gas pressure and composition, and microstructural changes. Many Department of Energy-Office of Nuclear Energy (DOE-NE) programs are exploring the use of ultrasonic technologies to provide enhanced sensors for in-pile instrumentation during irradiation testing. For example, the ability of single, small diameter ultrasonic thermometers (UTs) to provide a temperature profile in candidate metallic and oxide fuel would provide much needed data for validating new fuel performance models. Other efforts include an ultrasonic technique to detect morphology changes (such as crack initiation and growth) and acoustic techniques to evaluate fission gas composition and pressure. These efforts are limited by the lack of existing knowledge of ultrasonic transducer material survivability under irradiation conditions. To address this need, the Pennsylvania State University (PSU) was awarded an Advanced Test Reactor National Scientific User Facility (ATR NSUF) project to evaluate promising magnetostrictive and piezoelectric transducer performance in the Massachusetts Institute of Technology Research Reactor (MITR) up to a fast fluence of at least 1021 n/cm2 (E> 0.1 MeV). This test will be an instrumented lead test; and real-time transducer performance data will be collected along with temperature and neutron and gamma flux data. By characterizing magnetostrictive and piezoelectric transducer survivability during irradiation, test results will enable the development of novel radiation tolerant ultrasonic sensors for use in Material and Test Reactors (MTRs). The current work bridges the gap between proven out-of-pile ultrasonic techniques and in-pile deployment of ultrasonic sensors by acquiring the data necessary to demonstrate the performance of ultrasonic transducers

Daw, J.↗
DOE OSTI2021

Constructing high-performance radiation-resistant ternary YSZ-MgO-CNT nanocomposites via tailored nanostructures

Developing long-lifetime bulk-form ceramic-based materials with high irradiation resistance is crucial for advanced nuclear systems. Here, we incorporated carbon nanotubes (CNTs) into yttria-stabilized zirconia (YSZ) and magnesia (MgO) nanocrystals to fabricate bulk YSZ-MgO-CNT nanocomposites with abundant ternary nanostructures by spark plasma sintering. To understand the role of tailored ternary nanostructure on irradiation, we investigated the microstructure and mechanical properties evolutions of the YSZ-MgO-CNT nanocomposites irradiated by multi-energy He + ions at high temperature to different fluences. Compared with the single-phase YSZ and ultrafine-grained YSZ-MgO composites, the YSZ-MgO-CNT nanocomposites possessed higher ability to manage irradiation-induced He bubbles/defects via the defect-interface interactions of proposed “loading-unloading” and “loading-transporting-unloading” mechanisms for controlling the dynamical behaviors of He atoms/defects in the CNT-doped ternary nanostructures, thereby presenting more stable microstructure and better performance in resisting irradiation hardening. In conclusion, this work provides insight into the design of advanced inert matrix nuclear fuel and new nuclear waste management materials.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Development of Polycrystalline Photoelectrodes with Optimum Compositions and Morphologies for Solar Fuel Production via Electrochemical Synthesis (Final Technical Report)

Photoelectrochemical cells (PECs) can utilize solar energy for water splitting to produce H 2 as a clean fuel. The most critical components of a water-splitting PEC are semiconductor electrodes (photoelectrodes) that absorb solar energy to generate photoexcited charge carriers and transport them to the electrode/electrolyte interface for water reduction and oxidation reactions. While efficient PEC hydrogen production has been successfully demonstrated on the laboratory scale, the commercial viability of PECs depends critically on the cost of H 2 produced by the PECs, which is affected by the cost of PEC construction. Therefore, identifying promising inexpensive semiconductor electrodes is important. The goal of this project was to bring an advancement in the synthesis and understanding of inexpensive polycrystalline photoelectrodes based on oxides. Oxide-based semiconductors are inexpensive, easy to fabricate, and relatively more stable in aqueous media compared to other types of semiconductors. This project developed new electrodeposition methods to produce a variety of oxide-based semiconductor electrodes with precisely controlled compositions and morphologies to enhance photon absorption, electron-hole separation, and the use of electrons and holes for desired chemical reactions. The resulting high-quality photoelectrodes were investigated to establish the structure-composition-morphology-photoelectrochemical property relationships to identify the advantages and limitations of each oxide semiconductor system.

14 SOLAR ENERGY↗
DOE OSTI2023

Models of dislocation glide and strengthening mechanisms in bcc complex concentrated alloys

Abstract The mechanical response of complex concentrated alloys (CCAs) deviates from that of their pure and dilute counterparts due to the introduction of a combinatorially sized chemical concentration dimension. Compositional fluctuations constantly alter the energy landscape over which dislocations move, leading to line roughness and the appearance of defects such as kinks and jogs under stress and temperature conditions where they would ordinarily not exist in pure metals and dilute alloys. The presence of such chemical defects gives rise to atomic-level mechanisms that fundamentally change how CCAs deform plastically at meso- and macroscales. In this article, we provide a review of recent advances in modeling dislocation glide processes in CCAs, including atomistic simulations of dislocation glide using molecular dynamics, kinetic Monte Carlo simulations of edge and screw dislocation motion in refractory CCAs, and phase-field models of dislocation evolution over complex energy landscapes. We also discuss pathways to develop comprehensive simulation methodologies that connect an atomic-level description of the compositional complexity of CCAs with their mesoscopic dislocation-mediated plastic response with an eye toward improved design of CCA with superior mechanical response. Graphical abstract

36 MATERIALS SCIENCE↗
DOE OSTI2025

Multiscale and Machine Learning Modeling for Process-informed Microstructure Prediction in Additively Manufactured Materials using MALAMUTE

The Advanced Materials and Manufacturing Technologies (AMMT) program under the Department of Energy Office of Nuclear Energy aims to develop and qualify additively manufactured materials for nuclear applications. One key challenge to this is the microstructural variability observed in the additively manufactured products and their impact on the properties and performance of the material in extreme environments. AMMT is using a combination of high-throughput experimental and modeling techniques to accelerate qualification. Conventionally, in-situ and ex-situ characterizations and testing are performed to correlate different aspects of the additive manufacturing process to the final product and its performance. However, adopting a trial-and-error approach to experimentally evaluate the vast range of process parameters required to capture microstructural variability is cost-prohibitive. Modeling and simulation provide a comparatively inexpensive way to understand and correlate the microstructural evolution to the processing conditions. The modeling and simulation work-packages within the AMMT program aims to use physics-based and machine learning models to develop a digital twin for additive manufacturing that can correlate the process conditions to the final product and establish a process-structure-property-performance (PSPP) correlation. The melting and subsequent solidification that occurs during the additive process is a complex phenomenon that requires multiscale multiphysics analysis. This work package focuses on understanding the role of process variabilities on the unique microstructural characteristics of additively manufactured materials. Microstructural features at the subgrain level, such as compositional micro-heterogeneity and dislocation cells, are of particular interest here since they can influence the creep properties and radiation performance. Idaho National Laboratory’s Multiphysics Object-Oriented Simulation Environment (MOOSE), specifically the MOOSE Application Library for Advanced Manufacturing UTilitiEs (MALAMUTE) software, provides an ideal platform for developing the multiphysics multiscale model to explore the intricacies of the microstructural evolution during the AM processes within a single framework. Furthermore, given that such full-fidelity simulations can be computationally intensive, reduced order models are necessary to explore the PSPP space for additively manufactured materials in an efficient, reliable, and cost-effective way. This work focuses on capturing the microstructural variabilities at the subgrain level that are often missing in the part-scale models. In fiscal year 2025, we significantly advanced upon our work in the last fiscal year, in terms of the predictive capabilities of the physics-based and ML models, by adding the capabilities to capture subgrain-level micro-segregation during solidification using phase-field model and to predict the time-dependent dynamics of the AM process through the MOGPAR model. The alloy solidification model in MOOSE incorporates the thermodynamic properties and free energy relevant to 316 stainless steel. The model demonstrates the Cr and Ni segregation that occurs during solidification, including that the rate of solidification. The microstructural evolution model is connected to the process conditions via the surrogate model developed in this work. This enables predictions of the final microstructure in conjunctions with the manufacturing process. This work supports AMMT's rapid qualification goals by laying the foundation for an efficient and cost-effective model establishing the PSPP correlation for AM. The generated microstructures and predicted micro-segregation can be used by other work packages under AMMT to evaluate the properties and environmental response of the material at the mesoscale. Thus, this work helps to identify the key microstructural features at the subgrain level that are significant in property and performance predictions of additively manufactured components. This work will also provide inputs to the large-scale process variability models to reevaluate and validate assumptions and simplifications made in the part-scale models. Furthermore, through active learning this work can help identify the data need from both modeling and experimental sides for development of a robust digital twin for additive manufacturing and accelerate the AMMT's qualification efforts.

36 - MATERIALS SCIENCE↗
DOE OSTI2024

NO 2 -mediated voloxidation for iodine separation from cesium iodide surrogates

Heterogeneous NO 2 -mediated oxidation of uranium, also known as advanced voloxidation, is a proposed head-end reprocessing method for used nuclear fuel. An advantage of advanced voloxidation is the removal of volatile fission products, which complicate downstream separation and containment challenges leading to increased processing economics. Iodine, one of the volatile species of interest, has exhibited varied results in this process. Using CsI as a surrogate material, this work mimics the effect of NO 2 -based voloxidation on iodine and sheds light on the factors that influence the solid–gas phase reaction. Solid-state analysis using Fourier transform infrared attenuated total reflectance spectroscopy and scanning electron microscopy with energy-dispersive X-ray spectroscopy confirmed the conversion of CsI to CsNO 3 . Iodine separation ranged from 46% to 100% across multiple tests. Iodine separation was most effective when multiple recharges of NO 2 were administered. In conclusion, at the bench scale, liberating iodine from CsI appears to occur within 1 h, but the presence of surface H 2 O and the composition of the NO x reagent mixtures greatly influence its success.

advanced voloxidation↗
DOE OSTI2021

Advanced Syngas Cleanup Using Radically Engineered Modular Systems

The overall objective of this project was to address key knowledge gaps and develop modular sorbent-based warm syngas cleanup designs that will enable 1- to 5-MW REMS-based plants to be cost-competitive with large state-of-the-art commercial plants utilizing all of our abundant domestic coal reserves. We proposed to develop two potential new desulfurization process designs specifically targeted for REMS plants for combined heat and power or polygeneration from coal gasification. The first design is a modification of our commercially offered dual transport reactor design based Warm-gas Desulfurization Process (WDP) where the transport-reactor regenerator is replaced with a fluidized-bed regenerator. This design leverages the learnings obtained from our pre-commercial demonstration testing of the WDP technology for over 3,000 hours and conclusions from the lessons learned workshop. The second design is a fixed-bed process that leverages the successful composition and chemistry of our WDP sorbent to develop an effective fixed-bed sorbent formulation and fixed-bed process design. These two potential desulfurization process designs have a strong technical likelihood of success and offer the best opportunity to effectively employ design standardization, mass production and advanced manufacturing techniques to enable cost competitiveness for syngas cleanup at smaller scale.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2024

Accelerating the Scalability of PrintCast structures using High Pressure Die Casting

PrintCast composites are fabricated by infiltrating a metal mesh or preform (e.g., an additively-manufactured 316L lattices) with molten metal of a lower melting temperature (e.g., A380 aluminum). The resulting PrintCast composite has been shown in the literature to produce diverse and unique mechanical properties that are controllable at the local or global level by adjusting volume-fraction and/or topology of the preforms geometry and overall volume fraction. Although promising mechanical and thermal properties have been achieved at the laboratory scale level, the scalability from laboratory to full scale components has been limited using conventional casting infiltration. This work highlights how using high pressure die casting can significantly advance the development and eventual deployment of PrintCast approaches at large scales. We have successfully produced 9-inch by 6-inch by 1-inch thick PrintCast 316L stainless steel/A380 aluminum “bricks” via high pressure die casting. Initial findings show excellent infiltration and production capability. The resulting approach demonstrates the scalability and manufacturability of hybrid cost effective metal-metal matrix composites at larger length scales with high quality infiltration results.

Splitter, Derek↗