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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 271 records · Page 15

Synchrotron CT imaging of lattice structures with engineered defects

Understanding mechanical failure, crack propagation, and compressive behavior at the micrometer scale is essential for tailoring material properties for structural performance in cellular materials. Typically, modeling of traditional polymer foam materials is clouded by the lack of control in material morphology and its inherent stochastic structure. Additive manufacturing with sub-micrometer resolution provides a direct path for experimenters to specifically tailor structures needed by modelers to explicitly probe mechanical performance. Using laboratory-based 3D X-ray computed tomographic imaging (CT), the examination of deformation and damage provides a critical path to understand how these soft materials behave. Additionally, synchrotron CT yields realistic information at higher strain rates to directly validate the robustness of our finite element modeling. For this study, nanolithographic printing was employed to generate a series of engineered lattices with increasing levels of defects through the random removal of ligaments. These structures were mechanically tested and imaged with laboratory-based microCT. Additionally, synchrotron experiments were conducted in which the structures were imaged in 3D at 14 Hz during compression at a 0.4 s –1 strain rate. These 3D images show the changes in the structure as the ligaments bend, buckle and fracture in real time. This technique provides a robust framework for developing our methodologies and future exploration of engineered structures.

36 MATERIALS SCIENCE↗

Probing the atomically diffuse interfaces in Pd@Pt core-shell nanoparticles in three dimensions

Deciphering the three-dimensional atomic structure of solid-solid interfaces in core-shell nanomaterials is the key to understand their catalytical, optical and electronic properties. Here, we probe the three-dimensional atomic structures of palladium-platinum core-shell nanoparticles at the single-atom level using atomic resolution electron tomography. We quantify the rich structural variety of core-shell nanoparticles with heteroepitaxy in 3D at atomic resolution. Instead of forming an atomically-sharp boundary, the core-shell interface is found to be atomically diffuse with an average thickness of 4.2 Å, irrespective of the particle’s morphology or crystallographic texture. The high concentration of Pd in the diffusive interface is highly related to the free Pd atoms dissolved from the Pd seeds, which is confirmed by atomic images of Pd and Pt single atoms and sub-nanometer clusters using cryogenic electron microscopy. These results advance our understanding of core-shell structures at the fundamental level, providing potential strategies into precise nanomaterial manipulation and chemical property regulation.

74 ATOMIC AND MOLECULAR PHYSICS↗

Micro‐ and Nanoscale Heterogeneities in Zeolite Beta as Measured by Atom Probe Tomography and Confocal Fluorescence Microscopy

Micro- and nanoscale information on the activating and deactivating coking behaviour of zeolite catalyst materials increases our current understanding of many industrially applied processes, such as the methanol-to-hydrocarbon (MTH) reaction. Atom probe tomography (APT) was used to reveal the link between framework and coke elemental distributions in 3D with sub-nanometre resolution. APT revealed 10–20 nanometre-sized Al-rich regions and short-range ordering (within nanometres) between Al atoms. With confocal fluorescence microscopy, it was found that the morphology of the zeolite crystal as well as the secondary mesoporous structures have a great effect on the microscale coke distribution throughout individual zeolite crystals over time. Additionally, a nanoscale heterogeneous distribution of carbon as residue from the MTH reaction was determined with carbon-rich areas of tens of nanometres within the zeolite crystals. Finally, a short length-scale affinity between C and Al atoms, as revealed by APT, indicates the formation of carbon-containing molecules next to the acidic sites in the zeolite.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Continuous flow photochemical synthesis of metal–ceramic composite microparticles

We developed a UV-assisted microfluidic system to synthesize FeCrAl–Al 2 O 3 composite microparticles for additive manufacturing. Here, the system ensures precise particle size, morphology, and elemental distribution control. Increasing the dispensing pressure while keeping the oil flow rate constant resulted in larger microparticles. Laser fusing revealed FeCrAl and Al 2 O 3 phases, showing their potential as feedstocks for 3D printed heterogeneous materials such as FeCrAl/Al 2 O 3 bi-phase materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Adsorption of Ag, Au, Cu, and Ni on MoS 2 : theory and experiment

Abstract Here, we present results of a computational and experimental study of adsorption of various metals on MoS2. In particular, we analyzed the binding mechanism of four metallic elements (Ag, Au, Cu, Ni) on MoS2. Among these elements, Ni exhibits the strongest binding and lowest mobility on the surface of MoS2. On the other hand, Au and Ag bond very weakly to the surface and have very high mobilities. Our calculations for Cu show that its bonding and surface mobility are between these two groups. Experimentally, Ni films exhibit a composition characterized by randomly oriented nanoscale clusters. This is consistent with the larger cohesive energy of Ni atoms as compared with their binding energy with MoS2, which is expected to result in 3D clusters. In contrast, Au and Ag tend to form atomically flat plateaued structures on MoS2, which is contrary to their larger cohesive energy as compared to their weak binding with MoS2. Cu displays a surface morphology somewhat similar to Ni, featuring larger nanoscale clusters. However, unlike Ni, in many cases Cu exhibits small plateaued surfaces on these clusters. This suggests that Cu likely has two competing mechanisms that cause it to span the behaviors seen in the Ni and Au/Ag film morphologies. These results indicate that calculations of the initial binding conditions could be useful for predicting film morphologies. In addition, out calculations show that the adsorption of adatoms with odd electron number like Ag, Au, and Cu results in 100% spin-polarization and integer magnetic moment of the system. Adsorption of Ni adatoms, with even electron number, does not induce a magnetic transition.

Harms, Haley↗

Automated Segmentation and Classification of Coral using Fluid Lensing from Unmanned Airborne Platforms

In recent years, there has been a growing interest among biologists in monitoring the short and long term health of the world's coral reefs. The environmental impact of climate change poses a growing threat to these biologically diverse and fragile ecosystems, prompting scientists to use remote sensing platforms and computer vision algorithms to analyze shallow marine systems. In this study, we present a novel method for performing coral segmentation and classification from aerial data collected from small unmanned aerial vehicles (sUAV). Our method uses Fluid Lensing algorithms to remove and exploit strong optical distortions created along the air-fluid boundary to produce cm-scale resolution imagery of the ocean floor at depths up to 5 meters. A 3D model of the reef is reconstructed using structure from motion (SFM) algorithms, and the associated depth information is combined with multidimensional maximum a posteriori (MAP) estimation to separate organic from inorganic material and classify coral morphologies in the Fluid-Lensed transects. In this study, MAP estimation is performed using a set of manually classified 100 x 100 pixel training images to determine the most probable coral classification within an interrogated region of interest. Aerial footage of a coral reef was captured off the coast of American Samoa and used to test our proposed method. 90 x 20 meter transects of the Samoan coastline undergo automated classification and are manually segmented by a marine biologist for comparison, leading to success rates as high as 85%. This method has broad applications for coastal remote sensing, and will provide marine biologists access to large swaths of high resolution, segmented coral imagery.

algorithms segments classifications↗

Automated Segmentation and Classification of Coral Using Fluid Lensing from Unmanned Airborne Platforms

In recent years, there has been a growing interest among biologists in monitoring the short and long term health of the worlds coral reefs. The environmental impact of climate change poses a growing threat to these biologically diverse and fragile ecosystems, prompting scientists to use remote sensing platforms and computer vision algorithms to analyze shallow marine systems. In this study, we present a novel method for performing coral segmentation and classification from aerial data collected from small unmanned aerial vehicles (sUAV). Our method uses Fluid Lensing algorithms to remove and exploit strong optical distortions created along the air-fluid boundary to produce cm-scale resolution imagery of the ocean floor at depths up to 5 meters. A 3D model of the reef is reconstructed using structure from motion (SFM) algorithms, and the associated depth information is combined with multidimensional maximum a posteriori (MAP) estimation to separate organic from inorganic material and classify coral morphologies in the Fluid-Lensed transects. In this study, MAP estimation is performed using a set of manually classified 100 x 100 pixel training images to determine the most probable coral classification within an interrogated region of interest. Aerial footage of a coral reef was captured off the coast of American Samoa and used to test our proposed method. 90 x 20 meter transects of the Samoan coastline undergo automated classification and are manually segmented by a marine biologist for comparison, leading to success rates as high as 85. This method has broad applications for coastal remote sensing, and will provide marine biologists access to large swaths of high resolution, segmented coral imagery.

algorithms segments classifications↗

In situ Bragg coherent X-ray diffraction imaging of corrosion in a Co–Fe alloy microcrystal

Corrosion is a major concern for many industries, as corrosive environments can induce structural and morphological changes that lead to material dissolution and accelerate material failure. The progression of corrosion depends on nanoscale morphology, stress, and defects present. Experimentally monitoring this complex interplay is challenging. Here we implement in situ Bragg coherent X-ray diffraction imaging (BCDI) to probe the dissolution of a Co-Fe alloy microcrystal exposed to hydrochloric acid (HCl). By measuring five Bragg reflections from a single isolated microcrystal at ambient conditions, we compare the full three-dimensional (3D) strain state before corrosion and the strain along the [111] direction throughout the corrosion process. We find that the strained surface layer of the crystal dissolves to leave a progressively less strained surface. Interestingly, the average strain closer to the centre of the crystal increases during the corrosion process. We determine the localised corrosion rate from BCDI data, revealing the preferential dissolution of facets more exposed to the acid stream, highlighting an experimental geometry effect. These results bring new perspectives to understanding the interplay between crystal strain, morphology, and corrosion; a prerequisite for the design of more corrosion-resistant materials.

36 MATERIALS SCIENCE↗

Time of Flight Secondary Ion Mass Spectrometry for Characterization of Pt-Coated Porous Transport Layers in PEM Water Electrolyzers

Titanium-based porous transport layers (PTLs) and iridium-based catalyst layers (CLs) are two main components of proton exchange membrane water electrolyzers (PEMWEs). PTLs are typically coated with platinum to minimize interfacial losses and to support long-term operation. Optimizing coatings and the PTL-CL interface requires comprehensive characterization. This study establishes time-of-flight secondary ion mass spectrometry (ToF-SIMS) as a valuable technique for PTL characterization, addressing capabilities and limitations related to PTL morphology. A methodology was developed that uses a Cs + sputter beam for dynamic depth profiling, with data collected in both positive-ion (MCs + ) and negative-ion modes to generate depth profiles, 2D ion maps, and 3D ion reconstructions. ToF-SIMS detected relative differences in platinum-layer thickness between samples; these trends were validated by cross-sectional scanning transmission electron microscope (STEM) measurements and flat-titanium substrate controls. Interfacial oxide layers are identified in both ion modes, with enhanced oxide sensitivity in negative mode. The technique’s high sensitivity enables detection of nanometer-scale coatings and trace impurities within the bulk PTL structure. These results provide a methodological framework for analyzing Pt-coated PTLs, with the potential to extend to other components in PEMWEs and other electrolyzer systems.

36 MATERIALS SCIENCE↗

Pressure-Tolerant 3D Anodes Enable Short-Circuit Prevention and Low Heat Generation in Argyrodite Solid-State Batteries

Solid-state batteries (SSBs) offer a safer, higher-energy-density alternative to lithium-ion batteries, yet commercialization is hindered by incompatibility with lithium metal. Here, to overcome these challenges, we developed a cost-effective, commercially available prelithiated micro carbon fiber framework (Li-Cf) anode featuring a high-pressure-tolerance, for use with argyrodite solid-state electrolytes (SSEs). This 3D structure accommodates uniform lithium deposition, simplifies cell assembly under elevated pressure, inhibits dendrite growth toward SSEs, reduces heat generation, and enhances overall compatibility. Notably, our architecture enables the cell to tolerate pressures up to 400 MPa without short-circuiting during assembly. Meanwhile, the 3D framework serves as a preferential pathway for lithium deposition, thereby reducing lithium growth toward the SSEs and mitigating the risk of dendrite formation in SSEs. Operando calorimetry and distribution of relaxation times analysis reveal that lithium morphology degradation at the interface with the SSEs is a key failure mechanism in lithium metal argyrodite SSBs, leading to increased diffusion resistance and heat generation. In contrast, the Li-Cf anode mitigates these issues by reducing both heat flux and charge transfer resistance. Full cells with LiNi 0.8 Co 0.1 Mn 0.1 O 2 /Li 6 PS 5 Cl/Li-Cf retain ~79% capacity after 600 cycles, demonstrating significantly improved cycling stability and strong potential for practical energy storage applications.

25 ENERGY STORAGE↗

Bipolar planetary nebulae from outflow collimation by common envelope evolution

ABSTRACT The morphology of bipolar planetary nebulae (PNe) can be attributed to interactions between a fast wind from the central engine and the dense toroidal-shaped ejecta left over from common envelope (CE) evolution. Here we use the 3D hydrodynamic adaptive mesh refinement (AMR) code AstroBEAR to study the possibility that bipolar PN outflows can emerge collimated even from an uncollimated spherical wind in the aftermath of a CE event. The output of a single CE simulation via the smoothed particle hydrodynamics (SPH) code phantom serves as the initial conditions. Four cases of winds, all with high enough momenta to account for observed high momenta pre-PN outflows, are injected spherically from the region of the CE binary remnant into the ejecta. We compare cases with two different momenta and cases with no radiative cooling versus application of optically thin emission via a cooling curve to the outflow. Our simulations show that in all cases highly collimated bipolar outflows result from deflection of the spherical wind via the interaction with the CE ejecta. Significant asymmetries between the top and bottom lobes are seen in all cases. The asymmetry is strongest for the lower momentum case with radiative cooling. While real post-CE winds may be aspherical, our models show that collimation via ‘inertial confinement’ will be strong enough to create jet-like outflows even beginning with maximally uncollimated drivers. Our simulations reveal detailed shock structures in the shock-focused inertial confinement (SFIC) model and develop a lens-shaped inner shock that is a new feature of SFIC-driven bipolar lobes.

79 ASTRONOMY AND ASTROPHYSICS↗

Rainfall Morphology in Semi-Tropical Convergence Zones

Central Florida is the ideal test laboratory for studying convergence zone-induced convection. The region regularly experiences sea breeze fronts and rainfall-induced outflow boundaries. The focus of this study is the common yet poorly-studied convergence zone established by the interaction of the sea breeze front and an outflow boundary. Previous studies have investigated mechanisms primarily affecting storm initiation by such convergence zones. Few have focused on rainfall morphology yet these storms contribute a significant amount precipitation to the annual rainfall budget. Low-level convergence and mid-tropospheric moisture have both been shown to correlate with rainfall amounts in Florida. Using 2D and 3D numerical simulations, the roles of low-level convergence and mid-tropospheric moisture in rainfall evolution are examined. The results indicate that time-averaged, vertical moisture flux (VMF) at the sea breeze front/outflow convergence zone is directly and linearly proportional to initial condensation rates. This proportionality establishes a similar relationship between VMF and initial rainfall. Vertical moisture flux, which encompasses depth and magnitude of convergence, is better correlated to initial rainfall production than surface moisture convergence. This extends early observational studies which linked rainfall in Florida to surface moisture convergence. The amount and distribution of mid-tropospheric moisture determines how rainfall associated with secondary cells develop. Rainfall amount and efficiency varied significantly over an observable range of relative humidities in the 850- 500 mb layer even though rainfall evolution was similar during the initial or "first-cell" period. Rainfall variability was attributed to drier mid-tropospheric environments inhibiting secondary cell development through entrainment effects. Observationally, 850-500 mb moisture structure exhibits wider variability than lower level moisture, which is virtually always present in Florida. A likely consequence of the variability in 850-500 moisture is a stronger statistical correlation to rainfall, which observational studies have noted. The study indicates that vertical moisture flux forcing at convergence zones is critical in determining rainfall in the initial stage of development but plays a decreasing role in rainfall evolution as the system matures. The mid-tropospheric moisture (e.g. environment) plays an increasing role in rainfall evolution as the system matures. This suggests the need to improve measurements of magnitude/depth of convergence and mid-tropospheric moisture distribution. It also highlights the need for better parameterization of entrainment and vertical moisture distribution in larger-scale models.

Shepherd, J. Marshall↗

Entrainment-Zone Restratification and Flow Structures in Stratified Shear Turbulence

Late-time dynamics and morphology of a stratified turbulent shear layer are examined using 1) Reynolds-stress and heat-flux budgets, 2) the single-point structure tensors introduced by Kassinos et al. (2001), and 3) flow visualization via 3D volume rendering. Flux reversal is observed during restratification in the edges of the turbulent layer. We present a first attempt to quantify the turbulence-mean-flow interaction and to characterize the predominant flow structures. Future work will extend this analysis to earlier times and different values of the Reynolds and Richardson numbers.

Reif, B. Anders Pettersson↗

Impact of electrode porosity architecture on electrochemical performances of 1 mm-thick LiFePO4 binder-free Li-ion electrodes fabricated by Spark Plasma Sintering

Thick electrodes with high active material loadings have been intensively studied over the last couple of decades in pursuit of achieving high energy density systems. To optimize and enhance the electrochemical performance of such electrodes, one has to control the pore morphology by, for example, varying the pore size and shape, and the level of porosity. In the present work, the fabrication of thick binder-free LiFePO4 (LFP) electrodes with two different pore sizes (12 and 20 mu m) and porosities (21 vol% and 44 vol%) using Spark Plasma Sintering (SPS) and templating approach is reported. The well-controlled porous architecture inside the thick electrodes is realized by fine-tuning experimental parameters. The impact of porosity architecture on electrochemical performance is quantified and correlated with the 3D tortuosity values determined from both micro-computed tomography and electrochemical impedance-based experimental methods. Based on the micro-computed tomography data analysis, estimated tortuosity values along X, Y, and Z axes reveal an anisotropic effect perpendicularly to the SPS compression axis (Z-direction). This is particularly profoundly observed in the samples with larger pores (20 mu m). The correlation between morphological properties and the rate capability performance is established indicating that the capacity loss happens mainly due to the Li-ion diffusion limitations.

Cathode material↗

Nanoscale elemental and morphological imaging of nitrogen-fixing cyanobacteria

Nitrogen-fixing cyanobacteria bind atmospheric nitrogen and carbon dioxide using sunlight. This experimental study focused on a laboratory-based model system, Anabaena sp., in nitrogen-depleted culture. When combined nitrogen is scarce, the filamentous prokaryotes reconcile photosynthesis and nitrogen fixation by cellular differentiation into heterocysts. To better understand the influence of micronutrients on cellular function, 2D and 3D synchrotron X-ray fluorescence mappings were acquired from whole biological cells in their frozen-hydrated state at the Bionanoprobe, Advanced Photon Source. To study elemental homeostasis within these chain-like organisms, biologically relevant elements were mapped using X-ray fluorescence spectroscopy and energy-dispersive X-ray microanalysis. Higher levels of cytosolic K + , Ca 2+ , and Fe 2+ were measured in the heterocyst than in adjacent vegetative cells, supporting the notion of elevated micronutrient demand. P-rich clusters, identified as polyphosphate bodies involved in nutrient storage, metal detoxification, and osmotic regulation, were consistently co-localized with K + and occasionally sequestered Mg 2+ , Ca 2+ , Fe 2+ , and Mn 2+ ions. Machine-learning-based k-mean clustering revealed that P/K clusters were associated with either Fe or Ca, with Fe and Ca clusters also occurring individually. In accordance with XRF nanotomography, distinct P/K-containing clusters close to the cellular envelope were surrounded by larger Ca-rich clusters. The transition metal Fe, which is a part of nitrogenase enzyme, was detected as irregularly shaped clusters. The elemental composition and cellular morphology of diazotrophic Anabaena sp. was visualized by multimodal imaging using atomic force microscopy, scanning electron microscopy, and fluorescence microscopy. This paper discusses the first experimental results obtained with a combined in-line optical and X-ray fluorescence microscope at the Bionanoprobe.

Anabaena sp↗

3D Printed Nanoporous Separators Based on Polymerization-Induced Phase Separation for Fast-Charging, High Cycling Stability Li-Ion Batteries

Fast charging and stable lithium-ion batteries (LIBs) require prompt Li ion transport between electrodes. 3D porous separators can potentially improve ion transport at both the microscale and macroscale levels. Additive manufacturing (AM) is an ideal tool to produce and study 3D porous separators of LIBs, although little work has been reported in this area. Here, we demonstrate porous structural control in layer-by-layer printed hexanediol diacrylate (HDDA) separators using a projection micro stereolithography (PμSL) AM technology and present their corresponding battery performance in lithium nickel manganese cobalt oxide (NMC)/graphite full cells. The composition of photocurable resin determines the porous morphology (e.g., bicontinuous and droplet-like), while the settings of printing layer thickness and number of exposures can be used to adjust the porosity (e.g., from 27% to 63%). Optimal resin and print conditions are determined, and the resulting separator exhibits superior Li ion conductivity and therefore higher rate performance and longer cycling life. Compared with a Celgard 2325 separator, the optimized porous HDDA separator increases the 10C-rate capacity by 34% and decreases the capacity degradation rate at the 1C-rate by 4.9%. In conclusion, this work paves the way for future AM of 3D separators for high-energy, high-power, and long-cycling-life LIBs.

25 ENERGY STORAGE↗

The effects of stress, temperature and facet structure on growth of { 10 1 ¯ 2 } twins in Mg: a molecular dynamics and phase field study

The present study focuses on the roles of structure, stress and temperature on the mobility of facets bounding twin domains and on the overall impact on the growth kinetics of { 10 1 ¯ 2 } twins in Mg. We first use molecular dynamics simulations (MD) to study the relationship between interface structures, stress, temperature and mobility. As facets can exhibit distinct atomic scale structures, we also quantify the effect of stress relaxation mediated by misfit dislocations on the mobility of the basal-prismatic interface. The information gathered for ten different facets is used to calibrate an anisotropic phase field model predicting the effects of temperature and stress on the kinetics and shape of a growing { 10 1 ¯ 2 } 3D twin, by comparison with MD data. The comparative analysis suggests that, as compared to simulations of individual facets, the effective mobility of facets can be significantly different during growth of a 3D twin. This can be attributed to the complex three-dimensional internal stress state of the twin and to coupling in facet motion triggered by facet junctions. As such, by directly fitting both the twin growth kinetics and morphology as predicted by MD for different stresses and temperatures, we can identify a limited set of rate-limiting facets that control twin growth and morphology, and measure their effective mobility.

36 MATERIALS SCIENCE↗