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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
NASA NTRS2017

Creep and Cyclic Fatigue Durability of 3D Woven SiC/SiC Composites with (CVI+PIP) Hybrid Matrix

SiC-SiC composites are potential candidate materials for turbine components such as combustor liners, nozzle vanes and blades because of their low density, high temperature capability, and tailorable mechanical properties. The first generation of SiC-SiC composites fabricated by melt infiltration are being introduced in current engines. These materials are limited to 1315 degrees Centigrade applications because of the presence of residual silicon in the SiC matrix. Currently there is an increasing interest in developing SiC-SiC composites without silicon for structural aerospace applications above 1315 degrees Centigrade. The developmental 3D woven SiC-SiC composites with Chemical Vapor Infiltration plus Polymer Impregnation and Pyrolysis (CVI+PIP) hybrid matrix show potential for 1482 degrees Centigrade applications. In this study 3D woven SiC-SiC composite specimens were creep tested at 1482 degrees Centigrade at different stress levels until failure or for 1000 hours without failure. The failed specimens were analyzed for under a scanning electron microscope to assess the damage mechanisms. The creep data of 3D woven SiC-SiC composites with (CVI+PIP) hybrid matrix were compared with those of full CVI SiC-SiC composites and sintered SiC from the literature. The potential benefits limitations and durability of 3D woven SiC-SiC composites for turbine applications will be discussed.

creep durability↗
DOE OSTI2025

Scalable 3D reconstruction for X-ray single particle imaging with online machine learning

X-ray free-electron lasers offer unique capabilities for measuring the structure and dynamics of biomolecules, helping us understand the basic building blocks of life. Notably, high-repetition-rate free-electron lasers enable single particle imaging, where individual, weakly scattering biomolecules are imaged under near-physiological conditions with the opportunity to access fleeting states that cannot be captured in cryogenic or crystallized conditions. Existing X-ray single particle reconstruction algorithms, which estimate the particle orientation for each image independently, are slow and memory-intensive when handling the massive datasets generated by emerging free-electron lasers. Here, we introduce X-RAI (X-Ray single particle imaging with Amortized Inference), an online reconstruction framework that estimates the structure of 3D macromolecules from large X-ray single particle datasets. X-RAI consists of a convolutional encoder, which amortizes pose estimation over large datasets, as well as a physics-based decoder, which employs an implicit neural representation to enable high-quality 3D reconstruction in an end-to-end, self-supervised manner. We demonstrate that X-RAI achieves state-of-the-art performance for small-scale datasets in simulation and challenging experimental settings and demonstrate its unprecedented ability to process large datasets containing millions of diffraction images in an online fashion. These abilities signify a paradigm shift in X-ray single particle imaging towards real-time reconstruction.

Computer science↗
NASA NTRS1986

Theoretical studies of diatomic and triatomic systems containing the group IB atoms Cu, Ag, and Au

Selected portions of the ground state potential energy surfaces of the Cu3, Ag3, AgCu2, and AuCu2 trimers are studied at the single-reference singles plus doubles configuration interaction and couple pair functional levels correlating 33 electrons. The calculations use the effective core potentials of Hay and Wadt (1985) to replace the deep core levels. The Cu3 and Ag3 molecules are found to have 2B2 obtuse-angled ground states, with low-lying 2A1 acute-angled excited states. The AgCu2 and AuCu2 molecules have 2A1 acute-angled ground states. The Cu3 molecule has a smaller 3d population than Ag3, and Cu3 has a smaller s electron density in the open-shell orbital than does Ag3, in agreement with recent ESR experiments.

Walch, Stephen P.↗
NASA NTRS2000

Effects of Geometric Azimuthal Asymmetries of the PPM Stack on Electron Beam Characteristics

The effects of geometric azimuthally asymmetric properties of a periodic permanent magnet (PPM) focusing stack on electron beam characteristics obtained using a fully three dimensional (3D) particle-in-cell (PIC) code will be presented. The simulation model, using MAFIA (Solution of MAxwell's equations by the Finite-Integration-Algorithm), incorporates 3D behavior of the beam immersed in static fields calculated directly from the exact geometry and material properties of the 3D magnetic focusing structure. The Hughes 8916H, 18-40 GHz helical TWT for the millimeter-wave power module (MMPM) was used as a prototype. Firstly, the effects of C-magnets used at the input and output of the TWT to allow for coupling of the RF signal into and out of the tube are considered. The 8916H input and output C-magnets differ because coaxial couplers are used at the input and waveguide couplers are used at the output The repositioning of the beam from its central axis due to the inclusion of the output C-magnet was found to be most significant. The modeled output C-magnet and its orientation in the Cartesian coordinate system is shown, and a two-dimensional beam profile including the output C-magnet is also shown. A table presents the shift of the beam center off the central axis relative to the average radius of the beam at the longitudinal points A, B and C designated on an enclosed figure. Secondly, the addition of shunts, or rectangular iron pieces applied manually by a skilled technician in order to improve beam transmission, is considered. The shunts are applied to the top of the tube; thus, azimuthal symmetry of the focusing stack is interrupted. Although shunts are typically added during RF focusing, they are also typically added at the input section of the tube where RF forces are minimal, making an electron optics analysis meaningful. Because several shunts are usually applied to one pole piece, the simulations have been simplified by modeling a half washer with the same radius and longitudinal length as a shunt over the entire x, positive-y half of the transverse plane. A modeled pole piece and shunt as described are shown. Lastly, in order to study the effects of magnet misalignments, a magnet in the PPM stack was arbitrarily chosen and adjusted so that its central axis was shifted both 0.7 percent and 1.0 percent of the magnet outer diameter in the positive-y direction. In practice, positioning the magnets so that their central axis is accurately aligned with the central axis of the tube is challenging. Thus, it is a strong possibility that one or more magnets will be misaligned relative to the tube central axis.

Kory, Carol L.↗
DOE OSTI2024

Search for 3D topological superconductors using laser-based spectroscopy (Final Technical Report)

The three-dimensional topological superconductor (3D TSC) is a novel quantum phase of matter that is predicted to exhibit exotic thermal and electrical properties, which may serve applications ranging from precision thermal management and sensing technologies to fault-tolerant quantum information processing. Over the past decade, there has been an intensive effort to realize 1D and 2D TSCs by artificially engineering them from combinations of already existing materials. For example, coupling conventional superconductors to spin-orbit coupled 1D nanowires or to 2D topological insulator surfaces by the proximity effect provides a route to realizing 1D and 2D TSCs respectively. However no artificial engineering strategy is available for a 3D TSC. Therefore, current searches are limited to intrinsically superconducting compounds whose topological properties are difficult to predict. The overarching goal of this project was to realize and to identify 3D TSCs in bulk single crystals using novel laser-based spectroscopic techniques. One major thrust was to develop ultralow temperature and ultra-high-resolution angle-resolved photoemission spectroscopy (ARPES) to directly measure the dispersion of Majorana excitations that are predicted to exist on the surfaces of 3D TSCs. Another major thrust was to develop a rational route to realize 3D TSCs by identifying their precursor phases. It is theoretically proposed that the critical fluctuations of certain ordered electronic phases can mediate Cooper pairing in odd-parity channels and lead to topological superconductivity. Therefore, 3D TSCs may potentially emerge upon suppressing these inversion symmetry broken precursor phases to a critical point with external perturbations such as pressure, strain or even light. To test this hypothesis, we studied candidate materials using a suite of symmetry-sensitive optical probes including rotational anisotropy optical second harmonic generation (RA-SHG) and time-resolved coherent phonon spectroscopy, all operable under high-pressure and low temperature environments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Deconvoluting sources of variability in aerosol jet printing using light scattering measurements

Aerosol jet printing (AJP) is a digital additive manufacturing technique for hybrid and conformal electronics, where its contactless deposition readily enables patterning over 3D surface topography. However, the complexity of aerosol transport physics makes deposition rate sensitive to process variability, hindering widespread industry adoption. Light scattering measurements have recently been demonstrated as a capable tool for measuring deposition rate in real time, enabling closed-loop control and in-situ qualification frameworks. These inline optical measurements present further opportunity as a diagnostic tool to understand the effects of secondary process parameters affecting vapor–liquid equilibrium and heat and mass transport during deposition. Downstream of the optical measurement cell, changing the sheath gas flow rate, increasing temperature via an inline heater, and adding solvent vapor via a sheath gas bubbler were observed to alter drying physics during sheath-collimation, and thereby impaction efficiency. Further upstream, the introduction of solvent vapor via a carrier gas bubbler and liquid build-up in the printhead were seen to affect the quantitative relationship between the light scattering data and the true deposition rate. Using this information, tightened controls of meaningful secondary parameters were implemented to improve the batch-to-batch consistency for printing a dielectric ink. In addition to advancing AJP process reliability for production, this work demonstrates the capability of inline optical measurements to provide insight into process physics and deconvolute competing mechanisms that underly variability.

additive manufacturing↗
DOE OSTI2025

Geometry-driven modeling of electron localization in InAs/GaAs double quantum dots

The coupled electronic states in two-dimensional (2D) and three-dimensional (3D) double quantum dot (DQD) systems are investigated using a phenomenological model applied to InAs/GaAs heterostructures. The single-band k • p effective potential approach previously proposed by our group is employed to numerically calculate the energy spectrum and spatial localization of a single electron, serving as an indicator of the coupling strength within the binary system. For identical quantum dots (QDs) in a DQD, the electronic states exhibit ideal coherence. We systematically vary the DQD geometry and the strength of the confinement potential (via an applied electric field) to examine the effects of symmetry breaking and the sensitivity of electron localization in both identical and nearly identical DQDs. Our results show that coherence in DQDs is highly sensitive to these subtle variations. This sensitivity can be harnessed to detect changes in the surrounding environment, such as fluctuations in chemical or electrical properties that affect the DQD system.

electron localization↗
DOE OSTI2026

Patch-Based Convolutional Neural Networks for Multiple Microstructural Features Detection in FIB-SEM Micrographs of Irradiated Nuclear Fuel

Focused ion beam scanning electron microscopy (FIB-SEM) tomography has increasingly been utilized for acquiring three-dimensional (3D) microstructure features at the sub-micron scale in irradiated nuclear materials. This technique involves sequential ion beam slicing followed by electron beam imaging and compositional mapping using energy dispersive spectroscopy (EDS). Despite its growing use, several challenges persist. These include the time-intensive nature of data collection of EDS data, difficulties in distinguishing between various microstructures, and issues with image alignment. These challenges currently limit the broader application of FIB-SEM tomography in the field. To overcome these limitations, we propose using convolutional neural networks (CNNs) to automate microstructure identification in SEM images. Our study introduces a new framework for identifying microstructures in irradiated U-10Zr (wt. %) metallic fuel with limited annotated data. The framework includes the creation of a reliable annotated dataset with paired SEM and ground truth data from EDS maps, the applications of CNNs for microstructure identification, and the validation of model performance. Specifically, we employed the Segment Anything Model (SAM) to align SEM images with corresponding EDS maps and focused ion beam (FIB) tomography SEM data. We evaluate several models, including Patch-based U-Net, Attention U-Net, and Residual U-Net, finding that patch-based U-Net exhibits superior segmentation performance and consistency. This approach reduces reliance on EDS detectors and aids in accelerating nuclear material analysis process, highlighting the potential of advanced deep learning techniques to improve microstructural understanding in nuclear material. This is the first framework to integrate SAM and Patch-based CNN models for semantic segmentation of irradiated nuclear materials, with potential applicability to other tomography datasets.

36 - MATERIALS SCIENCE↗
DOE OSTI2026

Thermal cycling-driven microstructural changes of eutectic Al–Si phase change materials in SS304 containers revealed by multi-modal imaging

Aluminum-based Al–Si alloys are widely used as phase change materials (PCMs) in thermal energy storage (TES) systems owing to their high volumetric latent heat and superior thermal conductivity. However, their long-term reliability is limited by degradation processes that remain insufficiently understood. In this work, we employ a multimodal, correlative characterization framework to systematically resolve the degradation behavior of eutectic Al–Si PCMs in contact with SS304 containers under repeated thermal cycling. By integrating high-resolution electron microscopy, three-dimensional X-ray fluorescence (3D XRF) imaging, and differential scanning calorimetry (DSC), we directly link spatially resolved compositional and microstructural evolution to changes in thermophysical properties. The correlative analysis reveals that elemental leaching of Fe, Cr, and Ni from the stainless-steel container into the PCM drives the formation of intermetallic compounds (IMCs) both at the interface and within the bulk PCM, leading to pronounced compositional heterogeneity. These interfacial reactions and diffusion-induced transformations progressively destabilize the Al–Si eutectic, reducing the effective phase-transforming fraction. Consistent with these observations, DSC measurements show a decrease in melting temperature and latent heat of fusion with thermal cycling. These results underscore the critical influence of interfacial reactions and material compatibility on the stability, durability, and overall performance of Al–Si-based TES systems.

25 ENERGY STORAGE↗
NASA NTRS2010

Reconfigurable Hardware for Compressing Hyperspectral Image Data

High-speed, low-power, reconfigurable electronic hardware has been developed to implement ICER-3D, an algorithm for compressing hyperspectral-image data. The algorithm and parts thereof have been the topics of several NASA Tech Briefs articles, including Context Modeler for Wavelet Compression of Hyperspectral Images (NPO-43239) and ICER-3D Hyperspectral Image Compression Software (NPO-43238), which appear elsewhere in this issue of NASA Tech Briefs. As described in more detail in those articles, the algorithm includes three main subalgorithms: one for computing wavelet transforms, one for context modeling, and one for entropy encoding. For the purpose of designing the hardware, these subalgorithms are treated as modules to be implemented efficiently in field-programmable gate arrays (FPGAs). The design takes advantage of industry- standard, commercially available FPGAs. The implementation targets the Xilinx Virtex II pro architecture, which has embedded PowerPC processor cores with flexible on-chip bus architecture. It incorporates an efficient parallel and pipelined architecture to compress the three-dimensional image data. The design provides for internal buffering to minimize intensive input/output operations while making efficient use of offchip memory. The design is scalable in that the subalgorithms are implemented as independent hardware modules that can be combined in parallel to increase throughput. The on-chip processor manages the overall operation of the compression system, including execution of the top-level control functions as well as scheduling, initiating, and monitoring processes. The design prototype has been demonstrated to be capable of compressing hyperspectral data at a rate of 4.5 megasamples per second at a conservative clock frequency of 50 MHz, with a potential for substantially greater throughput at a higher clock frequency. The power consumption of the prototype is less than 6.5 W. The reconfigurability (by means of reprogramming) of the FPGAs makes it possible to effectively alter the design to some extent to satisfy different requirements without adding hardware. The implementation could be easily propagated to future FPGA generations and/or to custom application-specific integrated circuits.

Aranki, Nazeeh↗
DOE OSTI2024

Electron confinement–induced plasmonic breakdown in metals

Plasmon resonance represents the collective oscillation of free electron gas density and enables enhanced light-matter interactions in nanoscale dimensions. Traditionally, the classical Drude model describes plasmonic excitation, wherein plasma frequency exhibits no spatial dispersion. Here, we show conclusive experimental evidence of the breakdown of plasmon resonance and a consequent metal-insulator transition in an ultrathin refractory plasmonic material, hafnium nitride (HfN). Epitaxial HfN thick films exhibit a low-loss and high-quality Drude-like plasmon resonance in the visible spectral range. However, as the film thickness is reduced to nanoscale dimensions, Coulomb interaction among electrons increases because of electron confinement, leading to the spatial dispersion of plasma frequency. With a further decrease in thickness, electrons lose their ability to shield the incident electric field, turning the medium into a dielectric. The observed metal-insulator transition might carry some signatures of Wigner crystallization and indicates that such transdimensional, between 2D and 3D, films can serve as a promising playground to study strongly correlated electron systems.

Science & Technology - Other Topics↗
NASA NTRS2017

Application of Temperature-Controlled Thermal Atomization for Printing Electronics in Space

Additive Manufacturing (AM) is a technology that builds three dimensional objects by adding material layer-upon-layer throughout the fabrication process. The Electrical, Electronic and Electromechanical (EEE) parts packaging group at Marshall Space Flight Center (MSFC) is investigating how various AM and 3D printing processes can be adapted to the microgravity environment of space to enable on demand manufacturing of electronics. The current state-of-the art processes for accomplishing the task of printing electronics through non-contact, direct-write means rely heavily on the process of atomization of liquid inks into fine aerosols to be delivered ultimately to a machine's print head and through its nozzle. As a result of cumulative International Space Station (ISS) research into the behaviors of fluids in zero-gravity, our experience leads us to conclude that the direct adaptation of conventional atomization processes will likely fall short and alternative approaches will need to be explored. In this report, we investigate the development of an alternative approach to atomizing electronic materials by way of thermal atomization, to be used in place of conventional aerosol generation and delivery processes for printing electronics in space.

Wu, Chih-Hao↗
DOE OSTI2025

Electronic Structures of Iron in Oxide Glasses via 1s3p Resonant Inelastic X-ray Scattering

Electronic structures of iron in glasses are essential for unraveling the effect of transition metals on amorphous networks and controlling the electro-optical and transport properties of advanced glasses and amorphous energy-storing materials. The electronic configurations around iron in glasses, however, remain not well understood due to the structural disorders arising from multiple iron species with distinct valence, coordination, and spin states. Here, the first 1s3p resonant inelastic X-ray scattering (RIXS) for oxide glasses identifies hidden electronic configurations for Fe 2+ and Fe 3+ in amorphous networks. The results allow us to quantify the composition-induced evolution of oxygen ligand–field interactions of high-spin Fe 3d states with varying valence and coordination environments in complex glasses. The distinct electronic structures account for the electronic origins of iron-induced changes in the glass properties. The results offer prospects for a simultaneous probing of valence, coordination, and spin states of transition metals in diverse multicomponent oxide glasses and functional amorphous solids via 1s3p RIXS.

Kim, Yong-Hyun [Seoul National Univ. (Korea, Repub↗
DOE OSTI2024

Biopolymer-supramolecular polymer hybrids for photocatalytic hydrogen production

Solar generation of H 2 is a promising strategy for dense energy storage. Supramolecular polymers composed of chromophore amphiphile monomers containing perylene monoimide (PMI) have been reported as crystalline light-harvesting assemblies for aqueous H 2 -evolving catalysts. Gelation of these supramolecular polymers with multivalent ions creates hydrogels with high diffusivity but insufficient mechanical stability and catalyst retention for reusability. We report here on using sodium alginate (SA) biopolymer to both induce supramolecular polymerization of PMI and co-immobilize them with catalysts in a robust hydrogel with high diffusivity that can also be 3D-printed. Faster mass transfer was achieved by controlling the material macrostructure by reducing gel diameter and microstructure by reducing biopolymer loading. Optimized gels produce H 2 at rates rivaling solution-based PMI and generate H 2 for up to 6 days. The PMI assemblies in the SA matrix create a percolation network capable of bulk-electron transfer under illumination. These PMI–SA materials were then 3D-printed on conductive substrates to create 3D hydrogel photoelectrodes with optimized porosity. The design of these versatile hybrid materials was bioinspired by the soft matter environment of natural photosynthetic systems and opens the opportunity to carry out light-to-fuel conversion within soft matter with arbitrary shapes and particular local environments.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Compensating slice emittance growth in high brightness photoinjectors using sacrificial charge

Achieving maximum electron beam brightness in photoinjectors requires detailed control of the 3D bunch shape and precise tuning of the beam focusing. Even in state-of-the-art designs, slice emittance growth due to nonlinear space charge forces and partial nonlaminarity often remains non-negligible. In this work, we introduce a new means to linearize the transverse slice phase space: a sacrificial portion of the bunch’s own charge distribution, formed into a wavebroken shock front by highly nonlinear space charge forces within the gun, whose downstream purpose is to dynamically linearize the desired bunch core. We show that linearization of an appropriately prepared bunch can be achieved via strongly nonlaminar focusing of the sacrificial shock front, while the inner core focuses laminarly. This leads to a natural spatial separation of the two distributions: a dense core surrounded by a diffuse halo of sacrificial charge that can be collimated. Multiobjective genetic algorithm optimizations of the ultracompact x-ray free electron laser injector employ this concept, and we interpret it with an analytic model that agrees well with the simulations. In simulation, we demonstrate a final bunch charge of 100 pC, peak current ∼ 30 A, and a sacrificial charge of 150 pC (250 pC total emitted from cathode) with normalized emittance growth of < 20 nm rad due to space charge. This implies a maximum achievable brightness approximately an order of magnitude greater than existing free electron laser injector designs. Published by the American Physical Society 2024

43 PARTICLE ACCELERATORS↗
NASA NTRS2021

Petrology, Geochemistry, and Pairing of Lunar Meteorites from the Dominion Range

Introduction: During the 2018-2019 Antarctic Search for Meteorites (ANSMET) field season in the Dominion Range (DOM), 7 lunar meteorite stones were collected: DOM 18242 (15.1 g), DOM 18244 (25.1 g), DOM 18262 (6.8 g), DOM 18509 (16.5 g), DOM 18543 (13.6 g), DOM 18666 (45.9 g), and DOM 18678 (11.6 g). Here we present the initial results of electron microprobe and X-ray computed tomography (XCT) studies of these stones and look at the details of their petrography and mineral chemistry, as well as investigate possible pairing relationships, both with each other and with previously described lunar meteorites. Most of the work presented here is on the DOM 18509, 18543, and 18678 stones; subsamples of the other stones are in hand and similar measurements will be made on them by the time of the meeting. Methods: Textures in DOM 18509, DOM 18543, and DOM 18678 were characterized in 2D by optical microscopy, backscattered electron (BSE) imaging and elemental X-ray images on thin sections, as well as in 3D by X-ray computed tomography (XCT) on sample chips. Mineral compositions were assessed through a combination of wavelength dispersive spectroscopy EPMA (electron probe microanalysis) and x-ray mapping on the JEOL 8530 at NASA JSC. The bulk composition of all three meteorites was determined based on analyses of the fusion crust glass. XCT analyses were done on the Nikon XTH 320 at NASA JSC. ICP-MS data on bulk rock subsamples for each meteorite will be carried out in the near future. Results: The stones are all similar in macroscopic appearance with a dark aphanitic matrix hosting a variety of small- to medium-sized angular mineral and lithic fragments (often light colored in nature) [1,2]. Based on EPMA and XCT results, the three meteorites are polymict regolith breccias comprised of mineral, glass, and lithic clasts ranging up to several mm in length. Melt veins run through all three meteorite samples. Mineral clasts in all 3 stones are dominated by pyroxene and plagioclase (An82-96), with minor amounts of SiO2, olivine (Fo1-52), and FeTi-oxides. Pyroxene grains are mostly Fe-rich pigeonite and augite, and larger clasts are normally zoned and have fine exsolution lamellae. The lithic clasts in all stones consists of: (1) basalt clasts that contain zoned pyroxene, plagioclase laths, and ilmenite, with minor silica and Fe-rich olivine; (2) granulitic clasts; (3) anorthosite clasts; (4) Si-rich clasts that also contain ilmenite, troilite, high-Ca pyroxene, fayalite, and K-feldspar likely mesostasis from late stage basalts). All three meteorites contain glassy fusion crust that is highly vesicular, high in FeO and Al2O3 (15-17 wt% each), ferroan (Mg# of 23-24), and moderately rich in TiO2 (1.4-1.8 wt%). The composition of the fusion crust can serve as a proxy for the bulk meteorite composition and is identical within error for all three meteorites. Implications: The lithic and mineral clasts in all three stones are similar in clast population and assemblages as well as mineral chemistry. In addition, the fusion crust composition, a proxy for bulk composition, is within error of each other for all three stones. Thus DOM 18509, DOM 18543, and DOM 18678 are almost certainly paired. Based on similarities in macroscopic description as well as preliminary classification data [1,2], all 7 lunar stones from DOM are likely paired, though additional quantitative analyses are needed to confirm this. The presence of spherules and vesicular fusion crusts indicates that the DOM pairing group is a regolith breccia. The presence of basaltic and gabbroic clasts as well as more feldspathic materials, suggest that the regolith from which these meteorites formed contained a mixture of feldspathic highland material and mare material, suggesting a possible provenance near a marehighlands boundary. No evidence of KREEPy lithologies have been observed so far in these meteorites, however, future ICP-MS data on bulk rock chips for the stones will reveal any KREEP component if present. The DOM pairing group has many similarities to previously described lunar breccia meteorite MET 01210, however more detailed compositional data will be needed to make a definitive comparison.

R.A. Zeigler↗
NASA NTRS1994

Theoretical Study of the Low-Lying States of TiHe(+),TiNe(+),TiAr(+),VAr(+),CrHe(+),CrAr(+),FeHe(+),FeAr(+),CoHe(+),and CoAr(+)

The potential energy curves for the manifold of molecular states dissociating to the lowest transition metal ion states derived from the 3d(sup n+1) and 3d(sup n)4s(sup 1) occupations have been determined for selected transition-metal ion- rare gas systems. These curves have been computed using large basis sets, and the state-averaged complete- active-space self-consistent-field/multireference configuration interaction level of electron correlation treatment. In general, the families of curves derived from the 3d(sup n+1) and 3d(sup n)4s(sup 1) metal occupations are disjoint; however, for Ti(+) there is a strong mixing of the 3d(sup 2)4s(sup 1) and 3d(sup 3) asymptotes, because of the small separation between the asymptotes. This mixing leads to a failure of single-reference-based techniques; this is discussed in the context of our previous single-reference-based treatments.

Partridge, Harry↗
DOE OSTI2024

Angle between DNA linker and nucleosome core particle regulates array compaction revealed by individual-particle cryo-electron tomography

Abstract The conformational dynamics of nucleosome arrays generate a diverse spectrum of microscopic states, posing challenges to their structural determination. Leveraging cryogenic electron tomography (cryo-ET), we determine the three-dimensional (3D) structures of individual mononucleosomes and arrays comprising di-, tri-, and tetranucleosomes. By slowing the rate of condensation through a reduction in ionic strength, we probe the intra-array structural transitions that precede inter-array interactions and liquid droplet formation. Under these conditions, the arrays exhibite irregular zig-zag conformations with loose packing. Increasing the ionic strength promoted intra-array compaction, yet we do not observe the previously reported regular 30-nanometer fibers. Interestingly, the presence of H1 do not induce array compaction; instead, one-third of the arrays display nucleosomes invaded by foreign DNA, suggesting an alternative role for H1 in chromatin network construction. We also find that the crucial parameter determining the structure adopted by chromatin arrays is the angle between the entry and exit of the DNA and the corresponding tangents to the nucleosomal disc. Our results provide insights into the initial stages of intra-array compaction, a critical precursor to condensation in the regulation of chromatin organization.

59 BASIC BIOLOGICAL SCIENCES↗