Search NASA⌕ Search

SEARCH · Search NASA

Results for “3D electronics”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

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↗
DOE OSTI2025

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↗
DOE OSTI2025

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↗
DOE OSTI2024

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↗
DOE OSTI2025

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↗
DOE OSTI2024

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↗
DOE OSTI2024

Correlative X-ray micro-nanotomography with scanning electron microscopy at the Advanced Light Source

Geological samples are inherently multi-scale. Understanding their bulk physical and chemical properties requires characterization down to the nano-scale. A powerful technique to study the three-dimensional microstructure is X-ray tomography, but it lacks information about the chemistry of samples. To develop a methodology for measuring the multi-scale 3D microstructure of geological samples, correlative X-ray micro- and nanotomography were performed on two rocks followed by scanning electron microscopy with energy-dispersive spectroscopy (SEM-EDS) analysis. The study was performed in five steps: (i) micro X-ray tomography was performed on rock sample cores, (ii) samples for nanotomography were prepared using laser milling, (iii) nanotomography was performed on the milled sub-samples, (iv) samples were mounted and polished for SEM analysis and (v) SEM imaging and compositional mapping was performed on micro and nanotomography samples for complimentary information. Correlative study performed on samples of serpentine and basalt revealed multiscale 3D structures involving both solid mineral phases and pore networks. Significant differences in the volume fraction of pores and mineral phases were also observed dependent on the imaging spatial resolution employed. This highlights the necessity for the application of such a multiscale approach for the characterization of complex aggregates such as rocks. Information acquired from the chemical mapping of different phases was also helpful in segmentation of phases that did not exhibit significant contrast in X-ray imaging. Adoption of the protocol used in this study can be broadly applied to 3D imaging studies being performed at the Advanced Light Source and other user facilities.

58 GEOSCIENCES↗
DOE OSTI2024

Tailoring Piezoelectricity of 3D Printing PVDF-MoS 2 Nanocomposite via In Situ Induced Shear Stress

3D printing of unique structures with tunable properties offers significant advantages in the fabrication of complex and customized electronic devices. Here, this study introduces a process-microstructure–property-guided manufacturing route to fabricate PVDF-2D MoS 2 piezoelectric nanocomposites with tunable piezoelectric properties without having a postprocess. We control PVDF’s microstructure through direct ink writing (DIW) 3D printing while tuning PVDF-MoS 2 interfacial strain by controlling rheology and 3D printing parameters, such as nozzle size and printing speed. Our approach demonstrates tunable piezoelectricity in PVDF-MoS 2 , achieving a 15-fold increase in the piezoelectric coefficient (d 33 ) at a printing-induced shear stress of 6685 Pa. This enhancement arises from the electrostatic interactions between PVDF and MoS 2 and the filler distribution and alignment caused by the in situ shear stress in 3D printing, as confirmed by XPS and Raman mapping analyses. Our findings advance the understanding of piezoelectric mechanisms in PVDF-based nanocomposites, laying the foundation for 3D printing of piezoelectric sensors in wearable device applications with enhanced performance and customization capabilities.

2D MoS2↗
DOE OSTI2024

Quantification of Dynamic Scattering Effects in Molecular Crystals using Large Angle Rocking Beam Electron Diffraction

Electron crystallography provides a pathway to solve structure of small crystals (< 1um) in size, and thus overcomes difficult synthesis constraints involved in growing large crystals. Generally, electron diffraction data is collected in the form of integrated intensity using continuous rotation or by precession. The measured intensities in 3D are utilized for structure solution. Using this approach, structure solution of difficult crystals, such as small crystals of zeolites, metal-organic frameworks, molecular crystals, and proteins , can be solved by electron diffraction. However, electron structure solutions are regularly reported with higher Rvalues than x-ray or neutron diffraction. While similar structures are found despite the high R-values, the differences in the measure intensity and theory calculated intensity limit information that can be extracted by electron diffraction. Previous work demonstrated that including multiple-scattering effects significantly reduce the R-values . Thus, it is critical to be able to quantify the dynamical diffraction effects in molecular crystals.

Crystallography↗
DOE OSTI2024

Integrated Traction Drive Thermal Management: Keystone Project 3

The presentation represents a report of accomplishments during FY 2024 and is prepared for 2024 DOE VTO Annual Merit Review. The project goal is identifying pathways enabling high-performance, compact, and reliable integrated electric drives and facilitation of achieving DOE 2025 target of 33 kW/L system power density for an electric traction drive through support of other EDT consortium members in design and development of thermal management systems for their respective integrated drive concepts. Specific objectives are: 1) research and evaluation of motor-integrated power electronics packaging technologies and thermal management approaches; 2) explore novel materials and manufacturing options (3D printing with thermally enhanced polymers or ceramic materials) for key thermal management system components; 3) develop thermal management system and its sub-components to enable integrated electric drive DOE power density targets in collaboration with project partners; 4) support activities of DOE's Electric Drive Technologies (EDT) consortium members, Oak Ridge National Laboratory (ORNL), University of Wisconsin and Georgia Tech research teams in thermal management component design and thermal modeling of their integrated traction drives.

ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2024

The EIC accelerator: design highlights and project status

The design of the electron-ion collider (EIC) at Brookhaven National Laboratory is well underway, aiming at a peak electron-proton luminosity of 10e+34 cm^-1·sec^-1. This high luminosity, the wide center-of-mass energy range from 29 to 141 GeV (e-p) and the high level of polarization require innovative solutions to maximize the performance of the machine, which makes the EIC one of the most challenging accelerator projects to date. The complexity of the EIC will be discussed, and the project status and plans will be presented.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

RESONANT MATCHING SECTION FOR CEBAF ENERGY UPGRADE

In order to prevent emittance growth during long stores of the proton beam at the future Electron-Ion Collider (EIC), we need to have some mechanism to provide fast cooling of the dense proton beams. One promising method is coherent electron cooling (CeC), which uses an electron beam to both ?measure? the positions of protons within the bunch and then apply energy kicks which tend to reduce their longitudinal and transverse actions. In this work, we discuss the under- lying physics of this process. We then discuss simulations which constrain the electrons to move only longitudinally in order to perform fast optimizations and long-term track- ing of the bunch evolution, and benchmark these results against fully 3D codes. Additionally, we discuss practical challenges, including the necessity of a high-quality elec- tron beam and sub-micron alignment of the electrons and protons.

Deitrick, K.↗
DOE OSTI2025

Discovering Ni/Cu Single-Atom Alloy as a Highly Active and Selective Catalyst for Direct Methane Conversion to Ethylene: A First-Principles Kinetic Study

Direct methane conversion to liquid fuels or value-added chemicals is a promising technology to utilize natural resources without resorting to further petroleum extraction. However, discovering efficient catalysts for this reaction is challenging due to either coke formation or unfavorable C-H bond activation. Herein, we design single-atom alloy (SAA) catalysts to simultaneously eliminate the above two bottlenecks based on mechanism-guided strategies: (1) the active single atom enables favorable C-H bond breaking and (2) the less reactive host metal facilitates C-C coupling and thus avoids strong binding of carbonaceous species. Employing electronic structure theory calculations, we screened the stability of multiple SAAs with 3d-5d transition metals atomically dispersed on a copper surface in terms of avoiding dopant aggregation and segregation. We then evaluated reactivities of the stable SAAs as catalysts for direct methane conversion to C2 products, including methane dehydrogenation and C-C coupling mechanisms. Combining selectivity analysis with kinetic modeling, we predicted that nickel dispersed on copper, i.e., Ni/Cu SAA, is a highly active and selective catalyst that can efficiently transform methane to ethylene. This work designs efficient SAA catalysts for direct methane activation and provides chemical insights into engineering compositions of SAAs to tune their catalytic performances.

Kothakonda, Manish↗
DOE OSTI2025

Evaluation of the Radioactive Material Released in the Harborview Research and Training Building and Some Implications for Emergency Response

On 2 May 2019, during the 137 Cs source recovery operation, a source capsule in a research irradiator containing approximately 77.1 TBq was breached. Based on a geometric reconstruction analysis of the damage to the capsule, approximately 46.3 GBq (0.04%) was impacted by the chop saw (grinder) inside a mobile hot cell on the loading dock at the University of Washington Harborview Research and Training (HRT) Building. A very small fraction of the material impacted, less than 1%, was released from the mobile hot cell and then to the rest of the HRT Building. The objectives of this project were to assess the accidental release of 137 CsCl and its implications related to emergency response methods and the ramifications of 137 CsCl transport. The phenomenology of this event was also compared with past alkali halide dispersal events. The vast number of measurements and samples collected by the remediation contractors, the Department of Energy’s Nuclear Emergency Support Team, and the small number of retrospective samples collected by the authors informed the analysis. The techniques included (1) autoradiography and electron microscopy of samples collected from the HRT Building and the irradiator, (2) 3D visualization of deposition on surfaces and within the ventilation system, and (3) a study of the damage to the source capsule to evaluate the Cs particle size and particle composition due to the grinding accident. Subsequently, the cesium contaminant transport through the numerous pathways in the building was reconstructed to assess the deposition on surfaces as a function of particle size. Furthermore, the implications for emergency response are relevant to data quality and management. A Data Quality Objective guides data collection methods so that they have appropriate accuracy and precision for the intended application. Recommendations were made with respect to the sample collection protocols and archiving of samples.

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗
DOE OSTI2024

Evaluation of the Radioactive Material Release in the Harborview Research and Training Building and Implications for Emergency Response

On May 2, 2019, during the 137 Cs source recovery operation, a source capsule in a research irradiator containing approximately 77.1 TBq was breached. Based on a geometric reconstruction analysis of the damage to the capsule, approximately 46.3 GBq (0.04%) was impacted by the chop saw (grinder) inside a Mobile Hot Cell (MHC) on the loading dock at the University of Washington Harborview Research and Training (HRT) Building. A very small fraction of the material impacted, less than 1%) was released from the Mobile Hot Cell and then to the rest of the HRT Building. The objectives of this project were to assess the accidental release of 137 CsCl and its implications related to emergency response methods and the ramifications of 137 CsCl transport. The phenomenology of this event was also compared with past alkali halide dispersal events. The vast number of measurements and samples collected by the remediation contractors, the Department of Energy's Nuclear Emergency Support Team, and the small number of retrospective samples collected by the authors informed the analysis. The techniques included (1) autoradiography and electron microscopy of samples collected from the HRT Building and the irradiator, (2) 3D visualization of deposition on surfaces and within the ventilation system, and (3) a study of the damage to the source capsule to evaluate the Cs particle size and particle composition due to the grinding accident. Subsequently, the cesium contaminant transport through the numerous pathways in the building was reconstructed to assess the deposition on surfaces as a function of particle size. The implications for emergency response are relevant to data quality and management. A Data Quality Objective (DQO) guides data collection methods so that they have appropriate accuracy and precision for the intended application. Recommendations were made with respect to the sample collection protocols and sample archival.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2024

Center for Tokamak Transients Simulations

The major goals for the Center for Tokamak Transients Simulations (CTTS) were to develop detailed numerical simulations of disruptive transients in tokamak experiments and to use them in theoretical studies of the thermal-quench (TQ) and current-quench (CQ) phases of disruption. The University of Wisconsin-Madison component of CTTS contributed relevant development for the NIMROD code (https://nimrodteam.org) and applied it to disruptions that involve global vertical displacement. Code-development contributions include boundary conditions that represent sheath effects which occur when tokamak plasma is in contact with the surrounding vessel wall during vertical displacement events (VDEs). We also implemented a reduced model of energetic runaway electrons (REs) to simulate the effect of these energetic electrons on the CQ phase of tokamak disruptions. Our computations of VDEs include 2D and 3D verification through benchmarks with two other widely used macroscale plasma simulation codes, M3D-C1 and JOREK. Over nonlinear evolution to the final termination of plasma current, the 2D simulation results on magnetic axis location, toroidal current, and halo current track each other well. With the 3D benchmark computation, all three codes found the same qualitative behavior of the asymmetric instabilities having increasing growth rate after contact with the wall, followed by nonlinear excitation of other toroidal harmonics. Our NIMROD computations for an idealized configuration show agreement with an analytical assessment by V. D. Pustovitov [Nucl. Fusion 55, 113032 (2015)] that the plasma and non-ideal wall remain in force-balance such that net forces only result from magnetic stresses over the outer surface of the wall. Our study of the influence of boundary conditions on VDEs shows that extended-MHD simulations of VDEs are sensitive to electron energy transport to the wall and that boundary conditions on flow are only significant to the extent that they influence the electron energy transport. Resistive-MHD NIMROD simulations of the tokamak discharges in the Madison Symmetric Torus show that magnetic perturbations of poloidal wavenumber m=3 lead to chaotic magnetic topology over the edge region, which helps deconfine energetic electrons. A second area of RE study shows that the coupled resistive MHD/reduced RE model reproduces the resistive-hose particle-beam instability. With respect to educational opportunities, this effort involved and supported four graduate students at the University of Wisconsin-Madison and one postdoctoral associate. The results of this study have been disseminated through journal publications, conference presentations, technical reports, and PhD dissertations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Determining the nanostructure of polymer foams using 3D ptycho-tomography for inertial fusion energy applications

Polymer foams play a critical role in contemporary inertial fusion energy (IFE) target designs by enhancing energy yield and optimizing implosion dynamics. However, the lack of high-resolution characterization of the nanostructure of these foams restricts progress in fusion science. In this work, we demonstrate the first high-resolution three-dimensional (3D) reconstruction of a low-density, Si-doped polymer foam fabricated via two-photon polymerization, using ptychographic x-ray computed tomography (PXCT) at an x-ray free electron laser (XFEL). This imaging method reconstructs two-dimensional (2D) attenuation and phase information at multiple sample angles that are combined into a 3D density map used to extract local mass density and determine structural dimensions. We achieve a 2D spatial resolution of 19 ± 3 nm on a high-contrast Ronchi pattern target and 78.7 ± 3 nm for low-contrast polymer foams, marking a significant advancement for XFEL-based ptychography of low-density materials. Furthermore, our experimental results reveal an average foam strut thickness of 1.17 ± 0.4 μm, consistent with fabrication expectations, and a reconstructed average mass density of 0.35 g/cc, aligning closely with the predicted density of 0.29 g/cc. These findings provide important insights for improving foam design and refining radiation hydrodynamics modeling in future IFE experiments. Our study establishes PXCT at an XFEL as a powerful tool for high-resolution characterization of fusion-relevant materials, paving the way for enhanced target performance in IFE research.

Hancock, Levi [Colorado State Univ., Fort Collins,↗
DOE OSTI2024

Nodal fermions in the strongly spin-orbit coupled pyrochlore-lattice compound RbBi2

We explore the topological electronic band structure of the pyrochlore lattice in the strong spin-orbit coupling regime. Using angle-resolved photoemission spectroscopy, first-principles calculations, and symmetry analysis, we have investigated the bulk electronic structure of RbBi2, which has a Bi pyrochlore network. We observe the presence of 3D massless Dirac fermions enforced by nonsymmorphic symmetry, as well as a 3D quadratic band crossing protected by cubic crystalline symmetry. Furthermore, we identify an additional 3D linear Dirac dispersion associated with band inversion protected by threefold rotation symmetry. These observations reveal the rich band topology of itinerant pyrochlore lattice systems in the strong SOC limit and serve as a starting point to explore correlated topological phases in geometrically frustrated lattices.

Oh, Dongjin↗