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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 253 records · Page 14

Solar Activity Relations in Energetic Electron Events Measured By the MESSENGER Mission

Aims. We perform a statistical study of the relations between the properties of solar energetic electron (SEE) events measured by the MESSENGER mission from 2010 to 2015 and the parameters of the respective parent solar activity phenomena in order to identify the potential correlations between them. During the time of analysis, the MESSENGER heliocentric distance varied between 0.31 and 0.47 au. Methods. We used a published list of 61 SEE events measured by MESSENGER, which includes information on the near-relativistic electron peak intensities, the peak-intensity energy spectral indices, and the measured X-ray peak intensity of the flares related to the SEE events. Taking advantage of multi-viewpoint remote-sensing observations, we reconstructed, whenever possible, the associated coronal mass ejections (CMEs) and shock waves; and we determined the three-dimensional (3D) properties (location, speed, and width) of the CMEs and the maximum speed of the 3D CME-driven shocks in the corona. We used different methods (Spearman, Pearson, and a Bayesian approach, namely the Kelly method to linear regression) to estimate the correlation coefficients between the flare intensity, maximum speed at the apex of the CME-driven shock, CME speed at the apex, and CME width with the electron peak intensities and with the energy spectral indices. In this statistical study, we considered and addressed the limitations of the particle instrument on board MESSENGER (elevated background intensity level, anti-Sun pointing). Results. There is an asymmetry to the east in the range of connection angles (CAs) for which the SEE events present the highest peak intensities, where the CA is the longitudinal separation between the footpoint of the magnetic field connecting to the spacecraft and the flare location. Based on this asymmetry, we define a subsample of well-connected events as when −65° ≤ CA ≤ +33°. For the well-connected sample, we find moderate to strong correlations between the near-relativistic electron peak intensity and the 3D CME-driven shock maximum speed at the apex (Spearman: cc = 0.53 ± 0.05; Pearson: cc = 0.65 ± 0.04; Kelly: cc = 0.87 ± 0.20), the flare peak intensity (Spearman: cc = 0.63 ± 0.03; Pearson: cc = 0.59 ± 0.03; Kelly: cc = 0.74 ± 0.30), and the 3D CME speed at the apex (Spearman: cc = 0.50 ± 0.04; Pearson: cc = 0.46 ± 0.03; Kelly: cc = 0.60 ± 0.39). When including poorly connected events (full sample), the relations between the peak intensities and the solar-activity phenomena are blurred, showing lower correlation coefficients. Conclusions. Based on the comparison of the correlation coefficients presented in this study using near 0.4 au data, (1) both flare and shock-related processes may contribute to the acceleration of near relativistic electrons in large SEE events, in agreement with previous studies based on near 1 au data; and (2) the maximum speed of the CME-driven shock is a better parameter to investigate particle-acceleration-related mechanisms than the average CME speed, as suggested by the stronger correlation with the SEE peak intensities.

Sun↗

Synchrotron micro-computed tomography analysis of neutron-irradiated U-Mo fuel

The three-dimensional (3D) microstructure of neutron-irradiated uranium-10 wt.% molybdenum (U-10Mo) fuel with a burn-up of 9.8 × 10 21 fissions/cm 3 was characterized using a novel, multi-modal synchrotron micro-computed tomography approach combining propagation-based phase-contrast enhanced and absorption contrast techniques. The porosity development, porosity interconnectedness, swelling, composition, local thickness of the zirconium (Zr) diffusion barrier, and the influence of the fuel–cladding interaction on the local composition and pore morphology, were uniquely determined in 3D. Two cuboids were produced using a focused ion beam-scanning electron microscope at the Zr diffusion barrier–fuel interface and in the bulk fuel. The bulk fuel sample swelled by 53.3 [+9.7/−3.1]%, while the fuel near the Zr–fuel interface swelled by 63.3 [+14.7/−7.2]%. The average local thickness of the Zr diffusion barrier decreased by 53 %, compared to the expected pre-irradiated thickness. Four pore morphology regions were identified initiating parallel to the fuel–Zr interaction region: (1) an interaction layer of suppressed porosity, (2) a layer of elongated and interconnected porosity, (3) a transition zone of low porosity, and (4) a layer of unoriented porosity representative of the bulk fuel behavior. The increase in porosity near the diffusion barrier corresponded to a higher U concentration compared to that in the bulk fuel. The interconnected porosity in the fuel near the diffusion barrier was extensive and oriented parallel to the diffusion barrier, while the bulk fuel had more compact and isolated pore networks. The interaction layer, despite having suppressed porosity, was nearly 100 wt.% U. Porosity suppression at the diffusion barrier corresponds to the expected reduction in radiation-driven diffusion of Xe at the interface despite the anticipated increase in fission product nucleation originating from a higher U concentration. In conclusion, the novel 3D insights of the porosity, swelling, and compositional variations characterized herein can improve the fidelity of fuel performance codes for proliferation-resistant fuels for research and test reactors.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Electron Energization and Thermal to Non-Thermal Energy Partition During Earth's Magnetotail Reconnection

Electrons in earth's magnetotail are energized significantly both in the form of heating and in the form of acceleration to non-thermal energies. While magnetic reconnection is considered to play an important role in this energization, it still remains unclear how electrons are energized and how energy is partitioned between thermal and non-thermal components. Here, we show, based on in situ observations by NASA's magnetospheric multiscale mission combined with multi-component spectral fitting methods, that the average electron energy ε¯(or equivalently temperature) is substantially higher when the locally averaged electric field magnitude |𝐸| is also higher. While this result is consistent with the classification of “plasma-sheet” and “tail-lobe” reconnection during which reconnection is considered to occur on closed and open magnetic field lines, respectively, it further suggests that a stochastic Fermi acceleration in 3D, reconnection-driven turbulence is essential for the production and confinement of energetic electrons in the reconnection region. The puzzle is that the non-thermal power-law component can be quite small even when the electric field is large and the bulk population is significantly heated. The fraction of non-thermal electron energies varies from sample to sample between ∼20% and ∼60%, regardless of the electric field magnitude. Interestingly, these values of non-thermal fractions are similar to those obtained for the above-the-looptop hard x-ray coronal sources for solar flares.

M Oka↗

Intercalation of quaternary ammonium cations as a key factor of electron storage in MoS2 thin films

Electrochemical intercalation of cations within two-dimensional transition metal dichalcogenides presents a promising route for tailoring their optoelectronic properties. We have now succeeded in modulating the optical properties of MoS2 thin films through electrochemical intercalation of quaternary ammonium cations. The spectroelectrochemical experiments conducted with varying sizes of the intercalant revealed the size-dependent stability of the intercalated MoS2 nanosheets. The observed absorption change of the exciton bands is reversible and arises from the storage of electrons in MoS2 nanosheets and the subsequent weakening of interlayer van der Waals interactions following cation intercalation. This structural change is evidenced by the emergence of A*1g out-of-plane Raman mode. Additionally, the photoelectron spectroscopy reveals the emergence of a lower binding energy component of Mo 3d and the shift in Fermi level to higher energies, confirming the presence of stored electrons in cation intercalated-MoS2. The underlying mechanism of intercalation-induced property modifications in MoS2 discussed in the present study is useful in developing strategies for energy conversion devices.

Physics↗

Metal-Centered Photoredox Catalysis using d 6 Transition Metal-based Chromophores

Controlling excited-state reactivity in transition metal chromophores is central to light-driven chemistry, with applications spanning from solar energy conversion to photoredox catalysis. Ru(II) and Ir(III) chromophores currently dominate applications within this field due to their long-lived charge-transfer (CT) excited states, which support bimolecular electron transfer chemistry. However, their elemental scarcity and relative lack of selectivity for differentiating oxidative versus reductive pathways has in part motivated the exploration of alternative platforms that could, in principle, offer distinct mechanistic opportunities. Earth-abundant, valence-isoelectronic 3d 6 complexes of Fe(II) and Co(III) have attracted significant attention due to their electronic similarity to Ru(II) and Ir(III), suggesting the potential for complementary photophysical behavior. In contrast to their heavier congeners, however, the weaker ligand fields of first-row transition metals promote rapid relaxation from initially populated CT states to low-lying metal-centered (MC) excited states, typically of 5 T 2 or 3 T 1 character. Because these MC states involve redistribution of electron density within MC d-orbitals rather than charge separation between metal and ligand orbitals, they were historically considered poor candidates for use in photochemical transformations.

Charge transfer↗

Missing Wedge Completion via Unsupervised Learning with Coordinate Networks

Cryogenic electron tomography (cryoET) is a powerful tool in structural biology, enabling detailed 3D imaging of biological specimens at a resolution of nanometers. Despite its potential, cryoET faces challenges such as the missing wedge problem, which limits reconstruction quality due to incomplete data collection angles. Recently, supervised deep learning methods leveraging convolutional neural networks (CNNs) have considerably addressed this issue; however, their pretraining requirements render them susceptible to inaccuracies and artifacts, particularly when representative training data is scarce. To overcome these limitations, we introduce a proof-of-concept unsupervised learning approach using coordinate networks (CNs) that optimizes network weights directly against input projections. This eliminates the need for pretraining, reducing reconstruction runtime by 3–20× compared to supervised methods. Our in silico results show improved shape completion and reduction of missing wedge artifacts, assessed through several voxel-based image quality metrics in real space and a novel directional Fourier Shell Correlation (FSC) metric. Our study illuminates benefits and considerations of both supervised and unsupervised approaches, guiding the development of improved reconstruction strategies.

42 ENGINEERING↗

Sequential Infiltration Synthesis of Cadmium Sulfide Discrete Atom Clusters

Exposure of soft material templates to alternating volatile chemical precursors can produce inorganic deposition within the permeable template (e.g. a polymer thin film) in a process akin to atomic layer deposition (ALD). While such sequential infiltration synthesis (SIS) processes have now been demonstrated for many metal oxides, we report an SIS process for a transition metal sulfide – CdS. Gas phase dimethyl cadmium and hydrogen sulfide precursors infiltrated into poly(4-vinylpyridine) thin films result in the 3D-nucleation of clusters consistent with a cubane-type Cd 4 S 4 core that are variably terminated with methyl, thiol and hydroxy capping ligands. First principles models and simulation of few-atom Cd-based clusters are consistent with electronic and vibrational spectroscopy and grazing-incidence total X-ray scattering measurements of 3D-cluster-arrays synthesized at 80 °C. The direct synthesis of few-atom transition metal sulfide clusters within polymer thin films will provide a versatile new route to precision architectures for light-absorbing materials including solar energy harvesting and conversion applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Simulation of DIII-D disruption with argon pellet injection and runaway electron beam

Abstract The next generation of large tokamaks, including ITER, will be equipped with a disruption mitigation system (DMS) that can be activated if a disruption is deemed to be imminent. Introducing impurities by pellet (large or shattered) or massive gas injection has been shown to be an effective mitigation mechanism on many tokamaks. The goal of the mitigation is to lessen the thermal and electromagnetic loads from the disruption without generating enough high-energy (runaway) electrons to damage the device. Variations of this mitigation process with impurity injection are presently being tested on many experiments. We have modeled one such impurity injection experiment on DIII-D using the M3D-C1 nonlinear 3D extended MHD code (Jardin et al 2012 Comput. Sci. Discovery 6 014002), The model includes an argon large pellet injection and ablation model, impurity ionization, recombination, and radiation, and runaway electron formation and subsequent evolution, including both Dreicer and avalanche sources. We obtain reasonable agreement with the experimental results for the timescale of the thermal and current quench and for the magnitude of the runaway electron plateau formed during the mitigation. This is the first 3D full MHD simulation with pellets and REs to simulate the disruption process and it also provides a partial validation of the M3D-C1 DMS model.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Effect of plasma initialization on 3D PIC simulation of Hall thruster azimuthal instability

Abstract The lack of understanding of the azimuthal instability and the resulting electron anomalous transport limits further improvement of Hall thrusters. Compared to theoretical and experimental approaches, the numerical particle-in-cell (PIC) simulation is a suitable and powerful tool, which has been widely applied to investigate the azimuthal instability, and great progress has been made in the past decades. However, PIC simulations are intrinsically computationally expensive, and it is realized that the Hall thruster azimuthal instability has a three dimensional nature. Therefore, massive 3D PIC simulation must be carried out to completely reveal the mechanism of the instability. In this paper, the effect of plasma initialization on 3D PIC simulation of Hall thruster azimuthal instability is studied as a starting point. It is found that by initializing with ion density and velocity fitting functions to the steady-state simulation results, a faster convergence can be obtained and the computational time can be reduced by about 1.5 times. Typical fitting functions of ion density, drifting velocity, and temperature are given, and the influence of different initialization profiles is presented.

Physics↗

Evaluation methodology guidance for stack packages

This report provides evaluation methodology guidance based on previous National Aeronautics and Space Administration (NASA) reports and literature surveys for 3D stack packages and assemblies. Two aspects of technology are covered: the package itself (guidance for functional packages) and package assembly manufacturing and reliability. This work was funded by the NASA Electronic Parts and Packaging (NEPP) Program. The objectives of this NEPP project are to: Perform a literature survey of 3D stack technology; perform a literature survey on the evaluation methodology for 3D package and assembly; combine the two aspects to provide evaluation methodology for both aspects with consideration of interactions between package and assembly; generate guidance on the evaluation methodology for 3D stack package integrity prior to and after assembly; provide recommendations on future experimental activities. The qualification and evaluation methodology guidelines will facilitate NASA projects in effectively evaluating the reliability of very dense and newly available high-density 3D stack packages, allowing more processing power in a smaller board footprint and lower system weight.

Gerke, David↗

Machine Learning for Predicting Multipactor Susceptibility in Planar RF Structures

Multipactor discharge is a persistent challenge in high-power microwave (HPM) and accelerator systems, where secondary electron avalanches can cause heating, vacuum degradation, and failure. This work presents the first supervised machine learning (ML) framework for multipactor prediction, trained on high-fidelity 3D Particle-in-Cell (PIC) simulation data in planar geometries. The model maps operational, geometric, and material-dependent secondary electron yield (SEY) parameters to the time-averaged electron growth rate, enabling rapid reconstruction of susceptibility charts. Among the models evaluated, tree-based ensemble methods such as Random Forest and Extra Trees demonstrate superior generalization to unseen materials compared to neural networks such as multilayer perceptron (MLP). Performance metrics, including Intersection over Union (IoU), Structural Similarity Index Measure (SSIM), and Pearson correlation, show close agreement with simulation benchmarks. Principal Component Analysis attributes generalization limits to material feature-space disjointedness.

43 PARTICLE ACCELERATORS↗

Numerical simulations of the electrodynamic interactions between the Tethered-Satellite-System and space plasma

The first Tethered-Satellite-System (TSS-1), scheduled for a flight in late 1992, is expected to provide relevant information related to the concept of generating an emf in a 20-km-long (or longer) conducting wire. This paper presents numerical simulations of the electrodynamic interactions between the TSS system and space plasma, using a 2D and 3D models of the system. The 2D case code simulates the motion of a long cylinder past a plasma, which is composed of electrons and H(+) ions. The system is solved by allowing the plasma to flow past the cylinder with an imposed magnetic field. The more complex 3D case is considered to study the dynamics in great detail. Results of 2D simulation show that the interaction of a satellite with plasma flowing perpendicularly to the magnetic field results in an enhancement in the current collection.

Vashi, Bharat I.↗

Data-Driven Discovery of Bimetallic Nanoparticles Catalysts for the Hydrogenolysis of Polyethylene

Supported platinum nanoparticles are known to convert polyolefins to high-quality liquid hydrocarbons with hydrogen under relatively mild conditions. However, no systematic study has been undertaken using bimetallic catalysts for polyethylene upcycling. Specifically, a total of 98 monometallic and bimetallic combinations (Ag, Cr, Co, Cu, Fe, Ga, In, Mn, Ni, Pd, Pt, Rh, Ru, Zr) on alumina were synthesized utilizing surface organometallic chemistry (SOMC) technique via robotic platform. These were investigated at a small scale (10 mg of catalyst and 50 mg of polyethylene) for their activity for the hydrogenolysis of polyethylene in a high-throughput batch reactor. Combinations of Ni and Co were selected as candidates with high activity toward conversion into paraffin oils. Reaction conditions were optimized with Ni/Co/Al 2 O 3 catalyst at a larger scale (300 mg catalyst and 3 g polyethylene) to obtain a high yield (93.1%) of paraffin wax with desired properties (M n = 380 Da) and low polydispersity (Đ = 1.2). Ni/Co/Al 2 O 3 was compared against Co/Ni/Al 2 O 3 to understand the role of the deposition sequence. When Co is deposited before Ni, a layer of cobalt aluminate is formed upon reduction, stabilizing the deposition of 5 nm metallic Ni particles. When nickel is deposited before Co, particles are larger (average >20 nm) and more oxidized (Ni δ+ in NiAl 2 O 4 ), decreasing the availability of the catalytically active metallic Ni. In conclusion, the difference in electronic environments was also described by DFT calculations, which revealed that smaller 3D clusters of Ni are preferred on CoAl2O4 over the 3D clusters on NiAl 2 O 4 and that these smaller clusters are more reducible, as confirmed experimentally.

Polymer↗

FY24 Progress Report: SRNL Analysis of ICCWR LCM and WAMS data for Corrosion and Cracking

Algorithms for Machine Learning (ML) and data analysis for the 3013 Surveillance Program have been developed in an ongoing collaborative effort by the Savannah River National Laboratory (SRNL) and the University of South Carolina (USC). The objective of the algorithms is to automate the identification of corrosion and crack formation in the Inner Container Closure Weld Region (ICCWR) of the canister system used to store Pu-bearing material. Data for corrosion and cracking is collected from large binary files generated by a Laser Confocal Microscope (LCM), the Wide Area 3D Measurement System (WAMS), or,in a recent proposal, by a Scanning Electron Microscope (SEM). The ML software uses the physical attributes in the data files (e.g., one or more of: height, color, and 16-bit grayscale values as functions of position in a plane projection) to detect signs of surface corrosion and cracking after being trained on similar data, with the features to be detected. Although the initial scope included screening for broader indicators of corrosion, e.g., pitting, identification of potential cracks was prioritized for the past several years at the request of program leadership. Labeled training data is essential to developing the ML algorithm, and enhancements to data labeling capability have been developed to address this essential precursor to application of ML routines. Efficient labeling is particularly important in view of the large volume of data required to train ML algorithms and the relative rarity of cracks in the ICCWR data set. The updated program will read binary data from either LCM, WAMS or SEM files, interrogate data attributes, facilitate user labeling of data for training ML algorithms, execute ML algorithms, output parameters from trained ML algorithms, report ML model accuracy with respect to labeled data, and generate graphical representations for various analyses. In FY24, hourglass neural networks (HNNs) that were initiated in FY22 were further developed and tested using available LCM data, and their performance was tested against that of the alternative U-Net Neural Network algorithm structure. HNNs along with previously developed Convolutional Neural Networks (CNNs) and Deep Neural Networks (DNNs) comprise a suite of ML tools for identification of cracks in the ICCWR

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

FY25 Progress Report: SRNL Analysis of ICCWR LCM and WAMS data for Corrosion and Cracking

Algorithms for Machine Learning (ML) and image analysis for the 3013 Surveillance Program have been developed in an ongoing collaborative effort by the Savannah River National Laboratory (SRNL) and the University of South Carolina (USC). The objective of the algorithms is to automate the identification of corrosion and cracks in the Inner Container Closure Weld Region (ICCWR) of the canister system used to store Pu-bearing material. Data for corrosion and cracking is collected from large binary files generated by a Laser Confocal Microscope (LCM), the Wide Area 3D Measurement System (WAMS), or, in a recent proposal, by a Scanning Electron Microscope (SEM). The ML software uses the physical attributes in the data files (e.g., one or more of: height, color, and 16-bit grayscale values as functions of position in a plane projection) to detect signs of surface corrosion and cracking after being trained on similar data with the features to be detected. Although the initial scope included screening for broader indicators of corrosion, e.g., pitting, the identification of potential cracks was prioritized for the past several years at the request of program leadership.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Characterization of Plasma Synthesized Vertical Carbon Nanofibers for Nanoelectronics Applications

We report on the material characterization of carbon nanofibers (CNFs) which are assembled into a three-dimensional (3D) configuration for making new nanoelectromechanical systems (NEMS). High-resolution scanning electron microscopy (SEM) and x-ray electron dispersive spectroscopy (XEDS) are employed to decipher the morphology and chemical compositions of the CNFs at various locations along individual CNFs grown on silicon (Si) and refractory nitride (NbTiN) substrates, respectively. The measured characteristics suggest interesting properties of the CNF bodies and their capping catalyst nanoparticles, and growth mechanisms on the two substrates. Laser irradiation on the CNFs seems to cause thermal oxidation and melting of catalyst nanoparticles. The structural morphology and chemical compositions of the CNFs revealed in this study should aid in the applications of the CNFs to nanoelectronics and NEMS.

carbon nanomaterials↗

The Repair Maintenance and Fabrication Facility in the Common Habitat Architecture

The Common Habitat Architecture seeks to increase the habitability of long-duration human spaceflight systems. A key aspect of this is vehicle survivability. Missions beyond low Earth orbit need onboard capabilities for Repair, Maintenance, And Fabrication (RMAF) to overcome potential contingency scenarios. Strategies employed in historic human spaceflight such as redundancy management, reliability, sparing, orbital replacement units, and aborts may be insufficient by themselves. Based on subject matter input, a list of 53 critical failures defining a set of incidents that can render a key spacecraft subsystem inoperable were generated. A subsequent analysis found that a robust in-space RMAF system capable of performing 14 key functions can potentially repair a subsystem plagued by any of these failures. An ancillary benefit is this capability may provide psychological benefits to the crew, by enabling greater self-sufficiency in earth-independent problem solving. A basic RMAF facility has been defined for the Common Habitat, consisting of five workstations. A work bench and computer workstation provide a multipurpose horizontal work surface, computing interface, and tools storage. A CNC machining center provides a subtractive manufacturing capability for metals and plastics. A multi-material 3D printing facility provides additive manufacturing capabilities for plastic, metals, and printed electronics. A welding facility is used for joining metal components where a higher strength is needed than can be achieved with fasteners or adhesives. A glovebox facility is used to perform work that is too hazardous for any of the other workstations. This may include hardware brought in from outside the spacecraft that could potentially contaminate the cabin environment. Forward work includes considering the accommodation of additional manufacturing processes not modeled in the current system, assessing the ability of systems to operate in partial gravity and microgravity environments, incorporation of the system into the Common Habitat Computer Aided Design (CAD) model, bottoms-up mass estimating, and a crew time analysis.

Habitat↗

3D Reconstruction of a High-Energy Diffraction Microscopy Sample Using Multi-modal Serial Sectioning with High-Precision EBSD and Surface Profilometry

High-energy diffraction microscopy (HEDM) combined with in situ mechanical testing is a powerful nondestructive technique for tracking the evolving microstructure within polycrystalline materials during deformation. This technique relies on a sophisticated analysis of X-ray diffraction patterns to produce a three-dimensional reconstruction of grains and other microstructural features within the interrogated volume. However, it is known that HEDM can fail to identify certain microstructural features, particularly smaller grains or twinned regions. Characterization of the identical sample volume using high-resolution surface-specific techniques, particularly electron backscatter diffraction (EBSD), can not only provide additional microstructure information about the interrogated volume but also highlight opportunities for improvement of the HEDM reconstruction algorithms. In this study, a sample fabricated from undeformed “low solvus, high refractory” nickel-based superalloy was scanned using HEDM. The volume interrogated by HEDM was then carefully characterized using a combination of surface-specific techniques, including epi-illumination optical microscopy, zero-tilt secondary and backscattered electron imaging, scanning white light interferometry, and high-precision EBSD. Custom data fusion protocols were developed to integrate and align the microstructure maps captured by these surface-specific techniques and HEDM. The raw and processed data from HEDM and serial sectioning have been made available via the Materials Data Facility (MDF) at https://doi.org/10.18126/4y0p-v604 for further investigation.

36 MATERIALS SCIENCE↗