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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 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Evaluation of neutron light output response functions in EJ-309 organic scintillators

An accurate model of the nonlinear detector response of organic scintillators to neutrons is required to correctly simulate fast neutron detection, as well as interpret measured pulse height data. Several empirical and semi-empirical models are available to fit measured scintillator light output data. In this work, EJ-309 light output data from neutrons depositing 1.15–5.15 MeV on hydrogen were analyzed using empirical models as well as semi-empirical models based on the work of Birks and Voltz. Although all tested models fit the experimental light output data well in the measured range, the models were observed to diverge in low-energy extrapolation. The models were then tested by comparing a measurement and MCNPX-PoliMi simulation of an EJ-309 detector response to fast neutrons from a 252 Cf spontaneous fission source. The agreement between the measured and simulated pulse height distributions varied significantly depending on the light output model used. The best agreement between simulated and measured neutron pulse height distributions was achieved by using the Birks model. The bin-by-bin agreement was better than 5% over the range 0.08–2.18 MeVee, and better than 10% from 2.18 to 3.13 MeVee. Furthermore, the integral count rate over the range 0.08–3.14 MeVee differed by less than 1% in absolute units.

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

Cr is not an acceptor in 𝛽⁢−G⁢a 2 ⁢O 3

The intensity of red C⁢r 3+ photoluminescence (PL) in monoclinic gallium oxide (𝛽⁢−G⁢a 2 ⁢O 3 ) is suppressed by 𝑛-type conductivity, an effect that has been attributed to a Cr deep acceptor level in the bandgap. In 𝑛-type material, such an acceptor level would be occupied, resulting in the C⁢r 2+ oxidation state and the absence of C⁢r 3+ PL. To test this model, 𝑛-type 𝛽⁢−G⁢a 2 ⁢O 3 crystals co-doped with Cr and Zr (a donor) were grown from the melt. The samples show C⁢r 3+ optical absorption bands and a high free-electron concentration of 4 × 10 18 c⁢m −3 . If Cr were an acceptor, then it would be fully compensated and therefore would not exhibit the C⁢r 3+ optical signature. Hybrid functional calculations indicate that Cr occupies the substitutional octahedral Ga(II) site and that the C⁢r 2+ state is energetically unfavorable, i.e., Cr is not an acceptor. Weak C⁢r 3+ PL was observed in the Cr/Zr co-doped samples. In conclusion, the quenching of PL may be caused by a transfer of energy to free electrons, a nonradiative process that would reduce the emission intensity.

carrier generation & recombination↗
DOE OSTI2024

Denoising Seismic Waveforms Using a Wavelet-Transform-Based Machine-Learning Method

Seismic waveform data recorded at stations can be thought of as a superposition of the signal from a source of interest and noise from other sources. Frequency‐based filtering methods for waveform denoising do not result in desired outcomes when the targeted signal and noise occupy similar frequency bands. Recently, denoising techniques based on deep‐learning convolutional neural networks (CNNs), in which a recorded waveform is decomposed into signal and noise components, have led to improved results. These CNN methods, which use short‐time Fourier transform representations of the time series, provide signal and noise masks for the input waveform. These masks are used to create denoised signal and designaled noise waveforms, respectively. However, advancements in the field of image denoising have shown the benefits of incorporating discrete wavelet transforms (DWTs) into CNN architectures to create multilevel wavelet CNN (MWCNN) models. The MWCNN model preserves the details of the input due to the good time–frequency localization of the DWT. In this report we use a data set of over 382,000 constructed seismograms recorded by the University of Utah Seismograph Stations network to compare the performance of CNN and MWCNN‐based denoising models. Evaluation of both models on constructed test data shows that the MWCNN model outperforms the CNN model in the ability to recover the ground‐truth signal component in terms of both waveform similarity and preservation of amplitude information. Model evaluation of real‐world data shows that both the CNN and MWCNN models outperform standard band‐pass filtering (BPF; average improvement in signal‐to‐noise ratio of 9.6 and 19.7 dB, respectively, with respect to BPF). Evaluation of continuous data suggests the MWCNN denoiser can improve both signal detection capabilities and phase arrival time estimates.

58 GEOSCIENCES↗
DOE OSTI2025

ReaxFF Parameter Set for Boron Clusters and Icosahedral Boron Crystals: Comparison with Density Functional Theory and Machine-Learning Potentials

Icosahedral boron materials, which include regular icosahedra of 12 boron atoms have gained increasing attention due to their potential applications as superhard materials, semiconductors, and energy storage media. However, the synthesis of high quality crystals of these materials has been a major barrier to the development of these applications. To enable computational prediction of synthesis conditions yielding high-quality icosahedral boron crystals, herein we tested and refined a set of ReaxFF parameters for the nucleation and growth of such crystals. We focused on matching the relative energies of small boron clusters obtained by density functional theory since such small clusters and similar motifs are likely present in crystal nuclei and at the interface of growing crystals. Using a training set of B 80 clusters, including a low-energy core–shell structure containing a B 12 icosahedron core and a high-energy single-shell structure produced in preliminary ReaxFF simulations, the ReaxFF parameter set was refined to better reproduce energies calculated by density functional theory (DFT). Among existing ReaxFF parameter sets and the machine-learning interatomic potentials MACE-MP-0, MACE-MP-0b3, MACE-MPA-0, PFP v7.0.0, and SevenNet-MF-ompa, only our new parameter set and PFP v7.0.0 correctly ranked these B 80 clusters. This refinement led to improved agreement with DFT for a test set of 58 clusters consisting of 8–103 boron atoms. Furthermore, our refined parameter set yielded greater local icosahedral structure than the previously existing ReaxFF parameter set for larger scale simulations of crystallization from supercooled liquid boron. Additionally, simulations of solid boron in contact with molten nickel using our refined ReaxFF parameters yielded a boron solubility value that agrees moderately well with experimental expectations, while the previous boron parameters gave a value that was much too low.

boron↗
DOE OSTI2020

Prediction of chlorine and fluorine crystal structures at high pressure using symmetry driven structure search with geometric constraints

The high-pressure properties of fluorine and chlorine are not yet well understood because both are highly reactive and volatile elements, which have made conducting diamond anvil cell and x-ray diffraction experiments a challenge. Here, we use ab initio methods to search for stable crystal structures of both elements at megabar pressures. We demonstrate how symmetry and geometric constraints can be combined to efficiently generate crystal structures that are composed of diatomic molecules. Furthermore, our algorithm extends the symmetry driven structure search method by adding constraints for the bond length and the number of atoms in a molecule while still maintaining generality. As a method of validation, we have tested our approach for dense hydrogen and reproduced the known molecular structures of Cmca-12 and Cmca-4. We apply our algorithm to study chlorine and fluorine in the pressure range of 10 GPa–4000 GPa while considering crystal structures with up to 40 atoms per unit cell. We predict chlorine to follow the same series of phase transformations as elemental iodine from Cmca to Immm to Fm3¯m, but at substantially higher pressures. We predict fluorine to transition from a C2/c to Cmca structure at 70 GPa, to a novel orthorhombic and metallic structure with P42/mmc symmetry at 2500 GPa, and finally to its cubic analog form with Pm3¯n symmetry at 3000 GPa.

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

In-Field Testing of Components for Feedback and Control of the ITER Disruption Mitigation System

Here, the shattered pellet injection (SPI) method has been chosen as the disruption mitigation system (DMS) for ITER. To protect the device from plasma disruptions that cause damaging heat and electromagnetic loads, SPI is used to inject high-Z material into the plasma. The process of SPI utilizes cryogenic cooling to form solid pellets. Pellets are accelerated down a barrel and into an angled surface, causing the pellet to shatter prior to entering the tokamak chamber. For the DMS to function reliably, the 27 separate shattered pellet injectors planned for ITER must rely on many components to provide accurate feedback data and for control functions. Each component in the DMS is exposed to an elevated background magnetic field depending on its placement and proximity to the plasma chamber. A Helmholtz coil test stand that is operated at Oak Ridge National Laboratory was utilized to test the components in relevant background field levels to assess component performance. This paper details the test design and results for in-field component operation for a variety of components. This list includes the following components: two different network switches for camera connectivity, a VAT fast shutter valve intended to reduce the flow of SPI propellant gas into the torus, a solenoid control valve intended for use in the pellet formation process, pressure/vacuum switches to be used for feedback and control, a printed circuit board piezo pressure sensor to be used to measure breech pressure, and various relays for the high-voltage pulsed power supply used to drive the SPI propellant valve.

Disruption mitigation↗
DOE OSTI2024

Seismic moment tensor classification using elliptical distribution functions on the hypersphere

Discrimination of underground explosions from naturally occurring earthquakes and other anthropogenic sources is one of the fundamental challenges of nuclear explosion monitoring. In an operational setting, the number of events that can be thoroughly investigated by analysts is limited by available resources. The capability to rapidly screen out events that can be robustly identified as not being explosions is, therefore, of great potential benefit. Nevertheless, possible mis-classification of explosions as earthquakes currently limits the use of screening methods for verification of test-ban treaties. Moment tensors provide a physics-based classification tool for the characterization of different seismic sources and have enabled the advent of new techniques for discriminating between earthquakes and explosions. Following normalization and projection of their six-degree vectors onto the hypersphere, existing screening approaches use spherically symmetric metrics to determine whether any new moment tensor may have been an explosion. Here, we show that populations of moment tensors for both earthquakes and explosions are anisotropically distributed on the hypersphere. Distributions possessing elliptical symmetry, such as the scaled von Mises–Fisher distribution, therefore provide a better description of these populations than the existing spherically symmetric models. We describe a method that uses these elliptical distributions in combination with a Bayesian classifier to achieve successful classification rates of 99 per cent for explosions and 98 per cent for earthquakes using existing catalogues of events from the western United States. The 1983 May 5 Crowdie underground nuclear test and 2018 July 20 DAG-1 deep-borehole chemical explosion are the only two explosions out of 140 that are incorrectly classified. Application of the method to the 2006–2017 nuclear tests in the Democratic People’s Republic of Korea yields 100 per cent identification rates and we provide a simple routine MTid for general usage. The approach provides a means to rapidly assess the likelihood of an event being an explosion and can be built into monitoring workflows that rely on simultaneously assessing multiple different discrimination metrics.

58 GEOSCIENCES↗
DOE OSTI2019

Understanding Nitrate Chemistry - The Key to Safer and More Efficient TRU Waste Acceptance - 19618

Investigations into the Waste Isolation Pilot Plant (WIPP) radiological release from a transuranic (TRU) waste drum concluded that the event was initiated by a thermal runaway, principally involving interactions between the polysaccharide-based kitty litter and nitric acid, which released radiological material along with hot gases and combustible materials from the drum. In this paper, the hazards of polysaccharides present as either starch based kitty litter or cellulose rags in a TRU waste drum exposed to nitric acid (and by extension metal nitrate salts) have been evaluated, based on considerations of how complex nitrogen redox cycles carry out the aqueous phase oxidation of alcohols and related organic functional groups. These exothermic reactions, coupled with a positive feedback loop inherent to nitrogen redox chemistry, can initiate an autocatalytic thermal runaway and explosive gas generation, which poses the most significant risk under ambient conditions where acidic solution may be present (in small quantities as free liquid or sorbed within a solid matrix). Nitric acid is an extremely potent oxidant but is itself remarkably inert, rarely interacting directly with oxidizable substrates and instead exerting its vast potential energy through lower oxidation state reactants such as nitrogen dioxide and nitrous acid that are generated from its slow self-decomposition. Nitrous acid is the reactant that carries out substrate oxidation, and systems that are not pre-loaded with nitrous acid will experience an induction period before significant reactivity commences. Under oxidizing fuel-lean conditions, nitrogen dioxide may induce autocatalytic nitrous acid formation, which may supplement additional side-reactions, potentially leading to thermal runaway. Therefore, the system is most vulnerable at the end of an induction period. Metal nitrate salts promote this ambient temperature solution chemistry (cf. traditional oxidizer properties of metal nitrate salts, which operate in the solid state at elevated temperatures) by releasing nitric acid into the system via hydrolysis. Unlike simple alcohols with a single hydroxyl functional group, the chemistry of polymeric carbohydrates (polysaccharides) such as starches and cellulose is more diverse. Therefore, the oxidation of the simple monomeric carbohydrate glucose is first examined to provide insight into the analogous reactivity with polysaccharides. Although less reactive than alcohols by virtue of extensive hydrogen bonding, carbohydrates are oxidized by nitric acid through the same fundamental mechanisms, complicated by a variety of competing side reactions including acid-catalyzed hydrolytic depolymerization to more reactive (ultimately monomeric) units, as well as other degradation reactions promoted by radical mechanisms. For this reason, polysaccharides such as starches that are more susceptible to hydrolysis are more reactive than cellulose, with the attendant microbial population in starch based kitty litter adding a special aspect of reactivity. From this safety evaluation, a bounding latency period has been developed beyond which a stored TRU waste drum that contains polysaccharides (starch based kitty litter excluded) commingled with nitric acid and/or metal nitrate salts may no longer present a hazard under ambient conditions, based on a compilation of induction periods and reaction times involving nitric acid with various oxidizable substrates under a variety of conditions from synthetic procedures, tests, and adverse incident scenarios. By obviating the need for costly treatment options or characterization, a better understanding of nitrate redox chemistry and the hazards it presents with polysaccharide oxidation thus provides a more efficient means to safely dispose of TRU waste generated within the Department of Energy (DOE) complex. (author)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2026

Mapping the Microhardness of Al Matrix in U-7Mo/Al Dispersion Fuels at Medium and High Burn-up by in situ Nanoindentation

The mechanical degradation of the Al matrix in U-7Mo dispersion fuels was detected after irradiation in previous studies, but more details of the degradation mechanism are not clear yet to clarify the root cause. In this study, microhardness mapping in fresh and irradiated U-7Mo dispersion fuels coated with ZrN, with burn-up of 3.35 × 10 21 and 6.28 × 10 21 f/cm 3 , are measured to reveal the hardening of the Al matrix as a function of distance to fuel particles. Micro cubes were pulled by plasma focused ion beam scanning electron microscopy and tested by in situ nanoindenter with Berkovitch tip. Size effects are measured in medium and high burn-up samples. The higher burn-up specimen exhibits a more pronounced size effect when indent load is lower than 20 mN. Size effect correction models are also calculated by plots fitting, which predicts the true microhardness without size effect. Results shows that the hardness of the Al matrix near the ZrN coating has the highest value, then decreases moving away from the coating and become stable when the distance reaches ∼10 µm. The hardness starts increasing again getting closer to the next fuel particle, which makes the hardness distribution between two fuel particles to be “U” shape.

36 - MATERIALS SCIENCE↗
DOE OSTI2017

Generalized fluid theory including non-Maxwellian kinetic effects

The results obtained by the plasma physics community for the validation and the prediction of turbulence and transport in magnetized plasmas come mainly from the use of very central processing unit (CPU)-consuming particle-in-cell or (gyro)kinetic codes which naturally include non-Maxwellian kinetic effects. To date, fluid codes are not considered to be relevant for the description of these kinetic effects. Here, after revisiting the limitations of the current fluid theory developed in the 19th century, we generalize the fluid theory including kinetic effects such as non-Maxwellian super-thermal tails with as few fluid equations as possible. The collisionless and collisional fluid closures from the nonlinear Landau Fokker–Planck collision operator are shown for an arbitrary collisionality. Indeed, the first fluid models associated with two examples of collisionless fluid closures are obtained by assuming an analytic non-Maxwellian distribution function. One of the main differences with the literature is our analytic representation of the distribution function in the velocity phase space with as few hidden variables as possible thanks to the use of non-orthogonal basis sets. These new non-Maxwellian fluid equations could initiate the next generation of fluid codes including kinetic effects and can be expanded to other scientific disciplines such as astrophysics, condensed matter or hydrodynamics. As a validation test, we perform a numerical simulation based on a minimal reduced INMDF fluid model. The result of this test is the discovery of the origin of particle and heat diffusion. The diffusion is due to the competition between a growing INMDF on short time scales due to spatial gradients and the thermalization on longer time scales. Here, the results shown here could provide the insights to break some of the unsolved puzzles of turbulence.

42 ENGINEERING↗
DOE OSTI2024

Laboratory Evaluation of Commercial Utility Microgrid Controller Test Results

The functional requirements of many microgrid controllers (MGCs) are expanding and evolving to meet growing utility and community needs. At a high level, the utility microgrid controller serves resilience and reliability use cases by coordinating transitions between grid-connected and islanded states and by managing the system during island operations. This includes control scenarios that require the microgrid controller to use flexible microgrid boundaries, maintain energy balance, coordinate with peer systems, and manage grid-forming (GFM) and grid-following (GFL) distributed energy resources (DER). In order to evaluate these functional enhancements, microgrid controller test plans must also be developed to ensure that the implemented controllers provide adequate performance. This report provides MGC test plans for both island operation and transition functions. The functions covered in this report include feeder level energy management, island constraint management, secondary voltage and frequency control, black start, and synchronized reconnection. This second edition update also includes results from applying the tests to a commercial utility microgrid controller. These results evaluate the performance and reliability of the controller under various operational scenarios. It identifies specific areas where the controller excels and highlights gaps that need to be addressed for future enhancements. The application of these test plans on real-world system behavior provides insights on commercial equipment readiness for field deployment. These test cases can be applied to utility-managed microgrid controllers that exclusively manage utility-owned equipment; the tests also apply to third-party managed microgrid controllers that coordinate with utility- and customer-owned equipment. The report can also be used by technology developers and project developers in industry to evaluate control strategies and performance characteristics for community microgrid controllers.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Pyrolysis in Molten Salts Converts Plastics into a Mesoporous Electrocatalyst with a High Density of Atomic Fe–N–C Active Site

Upcycling plastic waste into value-added products is a promising strategy for both economic and environmental sustainability. However, achieving control over structure–property correlations during the upcycling process remains challenging. Here, in this study, we investigate the modulation of active site formation during pyrolytic conversion of plastics to carbon by composition-controlled molten salts. Using melamine formaldehyde (MF) foams as a precursor, we demonstrate that their pyrolysis in eutectic chloride molten salts with Fe 2+ , Na + , and K + ions directs the carbonization process toward the formation of mesoporous functional carbon enriched with atomically dispersed Fe–N–C sites, which are well-known for their catalytic activity in oxygen reduction reaction (ORR). Compared to pyrolysis in the FeCl 2 -only salt, the incorporation of alkali metal ions (Na + , K + ) in the eutectic mixture facilitates nitrogen retention in the carbon matrix and modulates iron speciation. This synergistic environment promotes a higher density and more uniform dispersion of Fe–N–C moieties within the carbon matrix. Consequently, the resulting catalyst exhibits a high surface area, hierarchical porosity, and improved electrochemical properties. When tested as an ORR catalyst, the Fe–N–C-enriched catalyst delivers a high half-wave potential (E 1/2 = 0.875 V vs RHE) with nearly exclusive 4e – pathway. These properties are comparable to those of commercial Pt/C catalysts, along with improved stability.

Fe−N−C active sites↗
DOE OSTI2025

169 Tm ( n , γ ) cross section and statistical decay properties from measurements at the DANCE facility

Background: Radiative neutron capture on thulium, which is a monoisotopic element, plays a role in different applications such as nuclear astrophysics or nuclear burning environments. Considerable discrepancies—reaching 20%—exist between evaluations in the unresolved-resonance region. Furthermore, experimental data on statistical 𝛾 decay in odd-odd rare-earth nuclei is scarce. There are still open questions about the systematics of the so-called scissors mode in the 𝑀⁢1 photon strength function, especially in odd-odd nuclei. Purpose: This work is focused on two main topics—deriving experimental 169 Tm ⁢(𝑛,𝛾) cross section and studying statistical 𝛾 decay of 170 Tm, in particular properties of the scissors mode. Methods: The capture experiments to obtain experimental cross section were performed at the Los Alamos Neutron Science Center using the time-of-flight technique and employing the Detector for Advanced Neutron Capture Experiments. Measured coincident 𝛾-ray spectra were also compared with statistical simulations using the dicebox code to test different models of level density and photon strength functions. Results: The capture cross section was determined from 1.8 eV to 0.97 MeV, the broadest neutron-energy range ever measured for this isotope. Several new resonances have been observed. The statistical 𝛾 decay of 170 Tm cannot be reproduced without a scissors mode resonance centered at ≈ 3.3MeV. Conclusions: The measured cross section in the unresolved-resonance region is generally lower than the latest evaluations. The derived 169 Tm 𝑠-process abundance is expected to increase by a factor of 1.26, while the changes of the abundances of elements heavier than 169 Tm are in the order of 0.2%. The scissors mode properties in 170 Tm are similar to those deduced in previous analyses of neighboring nuclei 168 Er and 166 Ho .

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Challenges in Continuous In-Field Critical Current Testing of High-Temperature Superconducting Tapes: Thermal and Mechanical Perspectives

High-temperature superconductors (HTS) are essential for ultra-high-field applications requiring exceptional current-carrying capacity under extreme conditions. However, systematic characterization of critical current in long-length conductors remains challenging due to complex thermal, electromag netic, and mechanical interactions during continuous testing. This study reports the development of a continuous in-field magnetization testing system for position-dependent critical current measurement in HTS tapes at 20 K under 7.5 T fields applied normal to the tape plane, enabling identification of performance-limiting regions that could compromise magnet stability. Here, the system addresses two fundamental challenges inherent to cryogenic reel to-reel testing. First, thermal management requires continuous cooling of a moving conductor to 20 K, achieved through liquid nitrogen precooling combined with a 100 W@20 K Gifford McMahon cryocooler. Second, screening currents in high fields generate Lorentz forces that induce twisting, bowing, and potential delamination. To mitigate these risks, we propose mechanical reinforcement and active current density suppression strategies. Numerical simulations using the stream function formulation reveal four primary failure modes: frictional heating at guide interfaces, unstable equilibria causing deformation, transverse current-induced stresses at guide transitions, and unsupported forces in vertical spans. Our mitigation strategies include PTFE coated guides to minimize friction, spring-loaded stabilization mechanisms to maintain tape alignment, controlled pre-heating using the liquid nitrogen thermal jacket to suppress critical current at stress points, and optimized guide positioning to minimize force accumulation. The experimental system is nearing completion, with testing planned to commence within two months. Preliminary validation at 65 K under 0.5 T demonstrates strong correlation between simulation-predicted mechanical instabilities and observed critical current variations during conductor tran sitions through the measurement region. These findings establish a robust foundation for quality assurance protocols essential to next-generation superconducting magnet applications.

Chen, Siwei [Princeton Plasma Physics Laboratory (↗
DOE OSTI2025

Let’s Stick Together: Interplay of Moisture, Particle Size, and Anatomical Fraction in the Flowability of Corn Stover Crumbles

Handling of agricultural waste biomass feedstocks (such as corn stover) is a persistent challenge in the production of biofuels and chemicals at integrated biorefineries. Inconsistent flowability and high feedstock variability creates equipment downtime and processing challenges. This work investigates the influence of anatomical fractionation and moisture content on the bulk solids handling behavior of corn stover crumbles. A combination of rotational shear testing, tribological measurements, and surface and sorption characterization techniques (inverse gas chromatography (IGC), dynamic vapor sorption (DVS), and electron microscopy) were used to evaluate the contributions of particle composition, size, and surface properties to flow behavior. Shear and frictional testing revealed that moisture content has the greatest effect on flowability, significantly increasing unconfined yield strength (ƒ c ) and reducing the flow function coefficient (F F C), regardless of anatomical fraction. While differences in surface energy were observed between fractions, particularly in polar contributions (γ AB ), these did not correspond to meaningful differences in flow behavior. Coarser 6 mm particles exhibited poorer flow performance than 4 mm crumbles, likely due to broader particle size distributions and increased particle interlocking. Taken together, these results suggest that anatomical fractionation provides minimal benefit from a bulk handling perspective. Moisture content and particle size heterogeneity dominate handling behavior, reinforcing the utility of unfractionated corn stover in processing environments. These insights can inform the design of more efficient and reliable feedstock processing systems for agricultural biomass in integrated biorefineries.

09 BIOMASS FUELS↗
DOE OSTI2024

Development of ceria-supported metal-oxide (MO x /CeO 2 ) catalysts via a one-pot chemical vapor deposition (OP-CVD) technique: Structure and reverse water gas shift reaction study

Current synthesis techniques for metal oxide (MO x )-supported catalysts have certain limitations of undesired target loading, ineffective dispersion of active species over the surface, uncontrolled particle size of active species, and complicated synthesis steps. Here, we developed a one-pot chemical vapor deposition (OP-CVD) methodology; by using which a solid metal precursor forms a vapor in a controlled condition and gets supported over the surrounding matrix. The theoretical stability followed by experimental validation using TGA is crucial for selecting the metal precursors. Three simple steps viz. premixing, dispersion, and rapid fixation by calcination are involved in the catalyst development via the OP-CVD approach. This study solely focused on the synthesis of 3d transition MO x over ceria support. The physicochemical characterizations of the prepared catalysts were performed by XRD, ICP-OES, SEM-EDX, CO pulse chemisorption, XANES, and EXAFS analyses to understand the crystal structure of involved species, target metal loading, dispersion, and particle size and prove the feasibility and viability of OP-CVD. The prepared catalysts were further tested for reverse water gas shift (RWGS) reaction to link their structural information with activity. The RWGS reaction data showed that the CO activity and CO selectivity were metal - and metal precursor-dependent. Higher CO activity of > 0.1 mol/h g-cat was observed for Cu and Co-based catalysts, with CO selectivity of ~100 %. This study provides an opportunity to produce efficient supported catalysts in a convenient way, providing effective catalytic activity.

36 MATERIALS SCIENCE↗
DOE OSTI2025

SwinCell: a 3D transformer and flow-based framework for improved cell segmentation

Segmentation of three-dimensional (3D) cellular images is fundamental for studying and understanding cell structure and function. However, 3D cellular segmentation is challenging, particularly for dense cells and tissues. This challenge arises mainly from the complex contextual information within 3D images, anisotropic properties, and the sensitivity to internal cellular structures, which often lead to incorrect segmentation. In this work, we introduce SwinCell, a 3D transformer-based framework that leverages Swin-transformer to predict flow and differentiate individual cell instances. We demonstrate SwinCell’s utility in the segmentation of nuclei, colon tissue cells, and densely cultured cells. SwinCell strikes a balance between maintaining detailed local feature recognition and understanding broader contextual information. Through extensive testing with both public and in-house 3D cell imaging datasets, SwinCell shows utility in segmenting dense cells, making it a valuable tool for 3D segmentation in cellular analysis that could expedite research in cell biology and tissue engineering.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Scattering insights into shear-induced scission of rod-like micelles

Understanding the scission of rod-like micelles under mechanical forces is crucial for optimizing their stability and behavior in industrial applications. This study investigates how micelle length, flexibility, and external forces interact, offering insights into the design of micellar systems in processes influenced by mechanical stress. Although significant, direct experimental observations of flow-induced micellar scission using scattering techniques remain scarce. Small angle neutron scattering (SANS) is used to explore the shear response of aqueous cetyltrimethylammonium bromide (CTAB) solutions with sodium nitrate. Rheological tests show shear thinning with no shear banding, ensuring a uniform flow field for reliable interpretation of scattering data. As shear rate increases, the scattering spectra show angular distortion, which is analyzed using spherical harmonic decomposition to characterize flow-induced scission and micelle orientation under shear. Two analysis steps are used: a model-independent spectral eigendecomposition reveals a decrease in micellar length, while regression analysis quantifies the evolution of the length distribution and mean length with shear rate. Additionally, micelle alignment increases with shear, quantified by the orientational distribution function. In conclusion, these findings provide experimental evidence for flow-induced alignment and scission, offering a new framework for understanding shear-induced phenomena in micellar systems.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗