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At least 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Disentangling multiple gas kinematic drivers in the Perseus galaxy cluster

Galaxy clusters, the Universe’s largest halo structures, are filled with an X-ray-emitting gas with a temperature between 10 million and 100 million degrees. Their evolution is shaped by energetic processes such as feedback from supermassive black holes (SMBHs) and mergers with other cosmic structures. The imprints of these processes on gas kinematics remain largely unknown, restricting our understanding of energy conversion within clusters4. High-resolution spectral mapping with the X-Ray Imaging and Spectroscopy Mission (XRISM) observatory offers a way forward. Here we present XRISM kinematic measurements of the Perseus cluster, radially covering the extent of its cool core. We find direct evidence for at least two dominant drivers of gas motions operating on distinct physical scales: a small-scale driver in the inner approximately 60 kpc, probably associated with the SMBH feedback; and a large-scale driver in the outer core, powered by mergers. This finding suggests that, during the active phase, SMBH feedback drives gas motions, which, if fully dissipated into heat, could have a substantial role in offsetting radiative cooling losses in the Perseus core. Furthermore, our study underscores the necessity of kinematic mapping observations of extended sources to robustly characterize the velocity fields and their role in the evolution of massive halos. It further offers a kinematic diagnostic for SMBH feedback models.

Astronomy and AstroPhysics↗
DOE OSTI2025

A case study in contrastive learning information combination: Application to technical forensics of additive manufacturing filament source identification

Combination of information from disparate data sources into a single decision is a core challenge in many fields, including the field of technical forensics. Technical forensics (TF) utilizes technical characterization of questioned samples to determine properties of that sample; these properties are then used to infer information of forensic interest, such as provenance, age, or attribution. TF is utilized in traditional forensic applications, such as the attribution of material fragments from an explosive, and in nuclear forensic applications, such as the attribution of actinides which have been interdicted out of regulatory control. The challenge of combining information from disparate sources, described alternately by many terms including “Data Fusion” and “Data Integration”, is exacerbated in the technical forensics domain due to at least two factors: the challenge of interpreting each information source singularly, and the relatively small data set sizes available. Extensive literature exists attempting to combine technical forensics information sources, both in manual and automated processes. These attempts are often bespoke to the specific information sources (such as the bi-, tri-, or quad-isotope chart (Moody, Grant, and Hutcheon 2005)), with some emerging examples of simple early- and late- fusion (, respectively). Simultaneous to the information combination efforts described in the previous paragraph, the field of natural language processing attempted (and largely succeeded) in combining information from multiple non-technical information sources. The ecosystem of “multi-modal” language models, which can take text and images as input, and generate text and images as output, became large and diverse by 2025 (Khan et al. 2025). In a generalized sense, many of these methods are trained by learning neural networks which can convert raw text or images into a vector of numbers describing the text or image, hereafter called “embeddings” and the neural networks performing the conversion are called “embedders”. By using a separate embedder for text and images, finding coincident text and images (such as images with their captions), and optimizing the parameters of the embedders such that the embeddings for the text and the image are similar, the field has found a bridge between text and images (Girdhar et al. 2023). It is the contention of the authors of this report that this insight is not limited to text and images but instead can be extended to any modality which can be found coincidently. The subject of the rest of this report is the application of this method to example multi-modal technical forensic data. Some details about the data used in this report are not appropriate for this report, and are included in a companion report (PNNL-38669).

36 MATERIALS SCIENCE↗
DOE OSTI2022

The Geology of The Mt. Simon Sandstone Storage Complex at the Wabash #1 Well, Vigo Co., Indiana (Subtask 7.2, Technical Report)

The Wabash CarbonSAFE project drilled the Wabash #1 stratigraphic test well (ID# 168045) at the Wabash Valley Resources (WVR) IGCC facility in Vigo County, Indiana, to characterize and evaluate the basal Cambrian Mt. Simon Sandstone for commercial-scale CO 2 storage near the site. This report presents an extensive geologic characterization of the Mt. Simon storage complex and relevant data collected from the Wabash #1 well, such as lithologic data collected from cuttings and core, geophysical logging, geomechanical analysis of core samples, and well testing and fluid sampling within the Mt. Simon Sandstone. The Mt. Simon storage complex comprises two major sections: the Mt. Simon Sandstone as the potential reservoir and the overlying Eau Claire Formation as its primary seal. Within the report, an extensive depositional, sedimentological, and geochronologic characterization of the Mt. Simon is included with supportive chapters on the regional geology and the geophysical, petrophysical, and petrologic data collected during the project. An overview of 2D seismic reflection data collected from and around the test well is presented. Also presented are chapters on the characterization of the sealing Eau Claire Formation, including a chapter on the capacity of the primary and secondary seals to the Mt. Simon as well as a chapter on geomechanical testing results of the Eau Claire Formation and Mt. Simon Sandstone. Some of the information discussed in this report was used in the development of static and dynamic geologic models of the Mt. Simon Sandstone storage complex. The static and dynamic modeling of CO 2 injection in the Mt. Simon Sandstone are discussed in a separate report (Dessenberger et al., 2022) under the Wabash CarbonSAFE project.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2022

Model-based reconstruction for enhanced x-ray CT of dense tri-structural isotropic particles

Tri-structural isotropic (TRISO) fuel particles are a key component of next generation nuclear fuels. Using x-ray computed tomography (CT) to characterize TRISO particles is challenging because of the strong attenuation of the x-ray beam by the uranium core, leading to severe photon starvation in a substantial fraction of the measurements. Furthermore, the overall acquisition time for a high-resolution CT scan can be very long when using conventional laboratory-based x-ray systems and reconstruction algorithms. Specifically, when analytic methods such as the Feldkamp–Davis–Kress (FDK) algorithm are used for reconstruction, it results in severe streak artifacts and noise in the corresponding 3D volume, which makes subsequent analysis of the particles challenging. In this paper, we develop and apply model-based image reconstruction (MBIR) algorithms to improve the quality of CT reconstructions for TRISO particles to facilitate better characterization. We demonstrate that the proposed MBIR algorithms can significantly suppress artifacts with minimal pre-processing compared to conventional approaches. We also demonstrate that the proposed MBIR approach can obtain high-quality reconstruction compared to the FDK approach even when using a fraction of the typically acquired measurements, thereby enabling dramatically faster measurement times for TRISO particles.

Venkatakrishnan, Singanallur↗
DOE OSTI2021

Core Mass Estimates in Strong Lensing Galaxy Clusters Using a Single-halo Lens Model

The core mass of galaxy clusters is an important probe of structure formation. Here we evaluate the use of a single-halo model (SHM) as an efficient method to estimate the strong lensing cluster core mass, testing it with ray-traced images from the Outer Rim simulation. Unlike detailed lens models, the SHM represents the cluster mass distribution with a single halo and can be automatically generated from the measured lensing constraints. In this work we find that the projected core mass estimated with this method, $M_{\text{SHM}}$, has a scatter of 8.52% and a bias of 0.90% compared to the "true" mass within the same aperture. Our analysis shows no systematic correlation between the scatter or bias and the lens-source system properties. The bias and scatter can be reduced to 3.26% and 0.34%, respectively, by excluding models that fail a visual inspection test. We find that the SHM success depends on the lensing geometry, with single giant arc configurations accounting for most of the failed cases due to their limiting constraining power. When excluding such cases, we measure a scatter and bias of 3.88% and 0.84%, respectively. Finally, we find that when the source redshift is unknown, the model-predicted redshifts are overestimated, and the $M_{\text{SHM}}$ is underestimated by a few percent, highlighting the importance of securing spectroscopic redshifts of background sources. Our analysis provides a quantitative characterization of $M_{\text{SHM}}$, enabling its efficient use as a tool to estimate the strong lensing cluster core masses in the large samples, expected from current and future surveys.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Characterization of shale using Helium and Argon at high pressures

In order to estimate the shale gas in place and the eventual recovery during shale gas operations, one of the key requirements is to accurately characterize the shale’s petrophysical and transport properties such as porosity, permeability, diffusivity, and storage capacity. Despite the many efforts reported in the technical literature aiming to provide an improved understanding of the complex pore structures and the associated fluid flow in gas shales, complete characterization of organic-rich shale samples still poses a big challenge. Here, we have characterized mass transfer and sorption in shale at different length scales using Helium (He) and Argon (Ar) as probe gases. Thermogravimetric analysis (TGA) with a shale cube of ~1 cm 3 in size and gas expansion experiments with a full-diameter core (3.5” in diameter) were used to measure sorption kinetics/isotherms and mass transfer, respectively. Both samples are from the same depth/location in the Marcellus shale formation. The TGA steady-state technique was initially used to generate excess sorption isotherms for Ar, while dynamic TGA experiments were used to study its sorption kinetics. The TGA experiments demonstrate that Ar, which has a similar sorption potential as Methane, but is generally assumed to be inert, adsorbs onto the surfaces of the mesoporous and microporous regions of the shale samples according to a Langmuir-type behavior. Helium expansion experiments, on the full-diameter core, were used to measure the overall porosity, on the basis that He is a non-sorbing and inert gas as compared to Ar. The He expansion experiments, furthermore, allow us to delineate the mass transfer of gas across the inherent hierarchy of pore sizes, including macropores (macro- and microcracks), mesopores and micropores. Similar expansion experiments were also performed with Ar to study the combined impact of mass transfer and sorption. A triple-porosity model (TPM) was utilized to interpret the He expansion experiments with the shale core and to extract (estimate) relevant transport parameters. We report and compare here the diffusivities and permeabilities of the whole core for both He and Ar, as calculated from the modeling and fitting of the experimental data. On the premise that the shale cube is representative of the matrix region of the core, the Ar sorption kinetics from the cube experiments were subsequently combined with the transport parameters extracted from the He experiments to predict the behavior of the Ar expansion test with the full-diameter core. An excellent agreement is observed between the model predictions and the experimental data. The experimental observations and their interpretation indicate that one must be cautious when using Ar to estimate the true porosity and permeability of shales. In addition, we demonstrate that He and Ar probe gases, when used in tandem, can be employed effectively as a tool to characterize shales in terms of mass transfer and sorption dynamics across scales.

04 OIL SHALES AND TAR SANDS↗
DOE OSTI2020

Building Durable Multimetallic Electrocatalysts from Intermetallic Seeds

When combined with earth-abundant metals, Pt-based alloy nanoparticles (NPs) can be cost-effective electrocatalysts. However, these NPs can experience leaching of non-noble-metal components under harsh electrocatalytic conditions. In this work, the Skrabalak group has demonstrated a novel NP construct in which Pt-based random alloy surfaces are stabilized against non-noble-metal leaching by their deposition onto intermetallic seeds. These core@shell NPs are highly durable electrocatalysts, with the ability to tune catalytic performance by the core@shell architecture, surface alloy composition, and NP shape. This versatility was demonstrated in a model system in which random alloy (ra-) PtM surfaces were deposited onto ordered intermetallic (i-) PdCu seeds using seed-mediated co-reduction (SMCR). In the initial demonstration, ra-PtCu shells were deposited on i-PdCu seeds, with these core@shell NPs exhibiting higher specific and mass activities for the oxygen reduction reaction (ORR) when compared to similarly sized ra-PtCu NPs. These NPs also showed outstanding durability, maintaining ~85% in specific activity after 5000 cycles. Characterization of the NPs after use revealed minimal loss of Cu. The activity enhancement was attributed to the strained surface that arises from the lattice mismatch between the intermetallic core and random alloy surface. The outstanding durability was attributed to the ordered structure of the intermetallic core. The origin of this durability enhancement was investigated by classical molecular dynamics simulations, where Pt atoms were found to have a lower potential energy when deposited on an intermetallic core than when deposited on a random alloy core. Also, ordering of Cu atoms at the core@shell interface appears to enhance the overall binding between the core and the shell materials. Inspired by this initial demonstration, SMCR has been used to achieve shells of different random alloy compositions, PtM (M = Ni, Co, Cu, or Fe). This advance is significant because ligand effects vary as a function of PtM identity and Pt/M ratio. These features also influence the degree of surface strain imparted from the lattice mismatch between the core and shell materials. Like the initial demonstration, standout features of these core@shell NPs were high durability and resistance to non-noble metal leaching. Moving forward, efforts have been directed toward integrating shape-control to this core@shell NP construct. This integration is motivated by the shape-dependent catalytic performance of NPs derived from the selective expression of specific facets. Considering the initial i-PdCu@ra-PtCu system, NPs with a cubic shape have been achieved by judicious selection of capping ligands during SMCR. Evaluation of these NPs as catalysts for the electrooxidation of formic acid found that the nanocubic shape enhances catalytic performance compared to similar core@shell NPs with a spherical morphology. We envision that SMCR can be applied to other NP systems to achieve highly durable catalysts as the syntheses of monodisperse and shape-controlled intermetallic seeds are advanced. This Account highlights the role of intermetallic cores in providing more durable electrocatalysts. More broadly, the versatility of SMCR is highlighted as a route to integrate architecture, alloy surfaces, and shape within one NP system, and how this achievement is inspiring new high-performance and robust catalysts is discussed.

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

Physical and Hydraulic Properties of RCRA Borehole Samples from the Hanford Site : Final Report, Fiscal Years 2023-2024

Sediment from 44 core samples collected from Resource Conservation and Recovery Act (RCRA) boreholes drilled in the 200 East and 200 West areas of the Hanford Site were characterized for physical and hydraulic properties (Table S.1). Characterization data included gravimetric water contents and matric potentials, grain-size distributions, saturated hydraulic conductivity, water retention characteristics, and unsaturated hydraulic conductivity. These properties provide site-specific data and parameters that can be used in subsurface flow and contaminant transport models to assess the transport and fate of contaminants in the vadose zone and underlying aquifer systems. The analyzed core samples come from specific areas and depth intervals at the Hanford Site that were targeted for sampling to address data gaps identified by site contractors (Khaleel 2020). X-ray computed tomography (XCT) was used to evaluate the general textural characteristics of the samples and to determine which samples to use for further physical and hydraulic property characterization. Subsequent sample selection was determined by consensus after review of the XCT images by Pacific Northwest National Laboratory, Central Plateau Cleanup Company, and INTERA staff.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Conserved and reproducible bacterial communities associate with extraradical hyphae of arbuscular mycorrhizal fungi

Abstract Extraradical hyphae (ERH) of arbuscular mycorrhizal fungi (AMF) extend from plant roots into the soil environment and interact with soil microbial communities. Evidence of positive and negative interactions between AMF and soil bacteria point to functionally important ERH-associated communities. To characterize communities associated with ERH and test controls on their establishment and composition, we utilized an in-growth core system containing a live soil–sand mixture that allowed manual extraction of ERH for 16S rRNA gene amplicon profiling. Across experiments and soils, consistent enrichment of members of the Betaproteobacteriales, Myxococcales, Fibrobacterales, Cytophagales, Chloroflexales, and Cellvibrionales was observed on ERH samples, while variation among samples from different soils was observed primarily at lower taxonomic ranks. The ERH-associated community was conserved between two fungal species assayed, Glomus versiforme and Rhizophagus irregularis, though R. irregularis exerted a stronger selection and showed greater enrichment for taxa in the Alphaproteobacteria and Gammaproteobacteria. A distinct community established within 14 days of hyphal access to the soil, while temporal patterns of establishment and turnover varied between taxonomic groups. Identification of a conserved ERH-associated community is consistent with the concept of an AMF microbiome and can aid the characterization of facilitative and antagonistic interactions influencing the plant-fungal symbiosis.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Dynamical friction in dark matter superfluids: The evolution of black hole binaries

Abstract The theory of superfluid dark matter is characterized by self-interacting sub-eV particles that thermalize and condense to form a superfluid core in galaxies. Massive black holes at the center of galaxies, however, modify the dark matter distribution and result in a density enhancement in their vicinity known as dark matter spikes. The presence of these spikes affects the evolution of binary systems by modifying their gravitational wave emission and inducing dynamical friction effects on the orbiting bodies. In this work, we assess the role of dynamical friction for bodies moving through a superfluid core enhanced by a central massive black hole. As a first step, we compute the dynamical friction force experienced by bodies moving in a circular orbit. Then, we estimate the gravitational wave dephasing of the binary, showing that the effect of the superfluid drag force is beyond the reach of space-based experiments like LISA, contrarily to collisionless dark matter, therefore providing an opportunity to distinguish these dark matter models.

Astronomy & Astrophysics↗
DOE OSTI2024

Structural and biochemical characterization of the mitomycin C repair exonuclease MrfB

Mitomycin C (MMC) repair factor A (mrfA) and factor B (mrfB), encode a conserved helicase and exonuclease that repair DNA damage in the soil-dwelling bacterium Bacillus subtilis. Here we have focused on the characterization of MrfB, a DEDDh exonuclease in the DnaQ superfamily. We solved the structure of the exonuclease core of MrfB to a resolution of 2.1 Å, in what appears to be an inactive state. In this conformation, a predicted α-helix containing the catalytic DEDDh residue Asp172 adopts a random coil, which moves Asp172 away from the active site and results in the occupancy of only one of the two catalytic Mg 2+ ions. We propose that MrfB resides in this inactive state until it interacts with DNA to become activated. By comparing our structure to an AlphaFold prediction as well as other DnaQ-family structures, we located residues hypothesized to be important for exonuclease function. Using exonuclease assays we show that MrfB is a Mg 2+ -dependent 3'–5' DNA exonuclease. We show that Leu113 aids in coordinating the 3' end of the DNA substrate, and that a basic loop is important for substrate binding. This work provides insight into the function of a recently discovered bacterial exonuclease important for the repair of MMC-induced DNA adducts.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Design and Optimization of High-frequency Transformer for Isolated Single-Stage Three-Phase AC/DC Converter using Bidirectional Switches

This paper presents the design and optimization of the high-frequency transformer for an isolated single-stage threephase AC/DC converter enabled by the 4H-SiC BiDirectional Field Effect Transistor (BiDFET). Non-dominated Sorting Genetic Algorithm II (NSGA-II) is used to perform a multiobjective optimization to minimize loss, weight, and volume. A 20 kW, 50 kHz hardware prototype based on the selected optimal point is characterized by a power amplifier. The finite element analysis simulation results are also presented to validate the core magnetic flux density and winding electric field strength. The experimental prototype was tested at 800 Vdc/480 Vrms at 10 kW rated power.

BiDFET, High-frequency transformer, Multiobjective↗
DOE OSTI2023

Scaling Containment on a Large Centrifuge

Containment science concerns the trapping or leakage of radioactive cavity gases from underground nuclear explosions (UNEs). The most physically relevant data for validation of containment science comes from legacy UNE testing or large field-scale chemical explosions. Field-scale tests can inform on the degree of residual stress imparted to host geology and possible formation of an accompanying gas-containing “stress cage”, for example, as a function of chemical explosion yield. However, field testing can be expensive, difficult to conduct, and challenging to instrument with limitations on data coverage (i.e., the number of boreholes; difficult coring through damage zones). Small-scale laboratory tests are typically simpler to conduct and more thoroughly characterize, but may not include the right scale of containment processes for stress-cage or chimney formation. This report presents the theory and fundamentals of large centrifuge physical modeling, including a history of explosive or similar testing relevant to containment science investigations on centrifuges. Subscale models with embedded chemical explosives in the enhanced gravity of a large centrifuge can represent hundreds of meters of depth and large explosions not otherwise attainable in the laboratory as based on scaling of length, energy, and other processes by the g-factor of the centrifuge (i.e., the number of times larger the centrifugal force is than the gravitational force on the Earth’s surface). The centrifuge uniquely joins the simplicity and exhaustiveness of laboratory-scale characterization with the physics of field-scale processes. This report is part of Sandia National Laboratories’ (SNL’s) effort to prepare for physical modeling with approximately one-meter tall geologic models of stress cage and/or chimney formation on its 29-foot [8.84 m] radius centrifuge with a load capacity of 1.6 million 𝑔-pounds [726 𝑔-ton]. The scaling relationships herein will inform model design decisions and performance requirements for in-flight sensors.

42 ENGINEERING↗
DOE OSTI2023

Membrane lipid and expression responses of Saccharolobus islandicus REY15A to acid and cold stress

Archaea adjust the number of cyclopentane rings in their glycerol dibiphytanyl glycerol tetraether (GDGT) membrane lipids as a homeostatic response to environmental stressors such as temperature, pH, and energy availability shifts. However, archaeal expression patterns that correspond with changes in GDGT composition are less understood. Here we characterize the acid and cold stress responses of the thermoacidophilic crenarchaeon Saccharolobus islandicus REY15A using growth rates, core GDGT lipid profiles, transcriptomics and proteomics. We show that both stressors result in impaired growth, lower average GDGT cyclization, and differences in gene and protein expression. Transcription data revealed differential expression of the GDGT ring synthase grsB in response to both acid stress and cold stress. Although the GDGT ring synthase encoded by grsB forms highly cyclized GDGTs with ≥5 ring moieties, S. islandicus grsB upregulation under acidic pH conditions did not correspond with increased abundances of highly cyclized GDGTs. Our observations highlight the inability to predict GDGT changes from transcription data alone. Broader analysis of transcriptomic data revealed that S. islandicus differentially expresses many of the same transcripts in response to both acid and cold stress. These included upregulation of several biosynthetic pathways and downregulation of oxidative phosphorylation and motility. Transcript responses specific to either of the two stressors tested here included upregulation of genes related to proton pumping and molecular turnover in acid stress conditions and upregulation of transposases in cold stress conditions. Overall, our study provides a comprehensive understanding of the GDGT modifications and differential expression characteristic of the acid stress and cold stress responses in S. islandicus.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Development of platforms for functional characterization and production of phenazines using a multi-chassis approach via CRAGE

Phenazines (Phzs), a family of chemicals with a phenazine backbone, are secondary metabolites with diverse properties such as antibacterial, anti-fungal, or anticancer activity. The core derivatives of phenazine, phenazine-1-carboxylic acid (PCA) and phenazine-1,6-dicarboxylic acid (PDC), are themselves precursors for various other derivatives. Recent advances in genome mining tools have enabled researchers to identify many biosynthetic gene clusters (BGCs) that might produce novel Phzs. Here, to characterize the function of these BGCs efficiently, we performed modular construct assembly and subsequent multi-chassis heterologous expression using chassis-independent recombinase-assisted genome engineering (CRAGE). CRAGE allowed rapid integration of a PCA BGC into 23 diverse γ-proteobacteria species and allowed us to identify top PCA producers. We then used the top five chassis hosts to express four partially refactored PDC BGCs. A few of these platforms produced high levels of PDC. Specifically, Xenorhabdus doucetiae and Pseudomonas simiae produced PDC at a titer of 293 mg/L and 373 mg/L, respectively, in minimal media. These titers are significantly higher than those previously reported. Furthermore, selectivity toward PDC production over PCA production was improved by up to 9-fold. The results show that these strains are promising chassis for production of PCA, PDC, and their derivatives, as well as for function characterization of Phz BGCs identified via bioinformatics mining.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Redox oxide@molten salt as a generalized catalyst design strategy for oxidative dehydrogenation of ethane via selective hydrogen combustion

Here, the current study demonstrates a redox oxide @ molten salt core-shell architecture as a generalized redox catalyst design strategy for chemical looping – oxidative dehydrogenation of ethane. 17 combinations of redox active oxides and molten salts were prepared, evaluated, and characterized. X-ray diffraction indicates that the redox oxides and molten salts are fully compatible, forming separate and stable phases. X-ray photoelectron spectroscopy demonstrates that the molten salts aggregate at the redox oxide surface, forming a core-shell structure to block the non-selective sites responsible for CO x formation. Up to ~74% single-pass olefin yields were achieved using the proposed redox catalyst design strategy. Statistical analyses of the performance data indicate the potential to achieve up to 86.7% single-pass yield by simply optimizing the operating conditions using the redox catalysts reported in this study. Meanwhile, the generalizability of the catalyst design strategy offers exciting opportunities to further optimize the composition and performance of the redox catalysts for ethane ODH under a chemical looping scheme with significantly reduced energy consumption and CO 2 emissions.

03 NATURAL GAS↗
DOE OSTI2025

Spatial distribution of sp 3 defects in carbon fibers via time-of-flight secondary ion mass spectrometry

Defects play a significant role in the material properties of carbon fibers (CF). Several defects result in the formation of sp 3 bonds in an otherwise sp 2 -dominant graphitic structure. Understanding the distribution of these defects within CF provides insight into their properties and the effect of manufacturing conditions. Reports showed time-of-flight secondary ion mass spectrometry (ToF-SIMS) is capable of characterizing the spatial distribution of sp 2 and sp 3 content in carbon materials. Here, ToF-SIMS was utilized to investigate the spatial distribution of sp 3 defects in T700, T1000, and M46 CF. M46 had the lowest sp 3 content. Center-to-edge analysis revealed that T700 CF had a gradient of sp 3 defects starting from the center and increasing to the edge, whereas M46 CF had a sudden increase in sp 3 defects roughly 1 μm from the edge. Comparatively, T1000 CF had a relatively uniform radial distribution of sp 3 defects, except for a newly identified sp 2 rich region at 0.8 μm from the center. This is hypothesized to originate from a skin–core structure that forms during CF manufacturing. As a result, this work demonstrates the utility of ToF-SIMS for characterizing the spatial distribution of sp 3 defects within CF, establishing new ways to understand CF formation.

Carbon fibers↗
DOE OSTI2024

Uncovering the three-dimensional structure of upconverting core–shell nanoparticles with multislice electron ptychography

In photon upconverting core–shell nanoparticles, structure strongly dictates performance. Typical imaging in scanning transmission electron microscopy has sufficient resolution to probe the atomic structure of these nanoparticles, but contrast, dose, and projection limitations make conventional methods insufficient for fully characterizing these structures. Phase retrieval techniques provide a promising alternative imaging mode, and, in particular, multislice electron ptychography can recover depth-dependent information. Here, we study beam-sensitive photon upconverting core–shell nanoparticles with a multislice ptychography approach using a low electron dose to avoid damage. Large strain fields arise in these heterostructures due to the mismatch in lattice parameter between the core and the shell. We reconstruct both a nanoparticle that appears defect-free and one that has a large break in the side and map the distribution of strain in 3D by computing distortion fields from high-resolution potential images of each slice. In the defect-free nanoparticle, we observe twisting of the shell, while in the broken nanoparticle, we measure the 3D position of the crack, the core, and dislocations. These results highlight the advantage of multislice electron ptychography to recover 3D information from a single scan, even under strict electron dose requirements from beam-sensitive samples.

74 ATOMIC AND MOLECULAR PHYSICS↗