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At least 235 records · Page 13

Cryo-EM sample preparation for high-resolution structure studies

High-resolution structures of biomolecules can be obtained using single-particle cryo-electron microscopy (SPA cryo-EM), and the rapidly growing number of structures solved by this method is encouraging more researchers to utilize this technique. As with other structural biology methods, sample preparation for an SPA cryo-EM data collection requires some expertise and an understanding of the strengths and limitations of the technique in order to make sensible decisions in the sample-preparation process. Here, in this article, common strategies and pitfalls are described and practical advice is given to increase the chances of success when starting an SPA cryo-EM project.

36 MATERIALS SCIENCE↗

Fuel Stratification Influence on NO x Emission in a Premixed Axial Reacting Jet-in-Crossflow at High Pressure

Three reacting jet-in-crossflow (JiC) methane/air flames were numerically investigated in a lean axially staged combustor at a pressure of five atmospheres. A detailed chemistry Star-CCM+ computational fluid dynamics (CFD) model was used with 53 species considered and the result of turbulence-governed finite-rate modeling was validated with in-house experimental data. An optically accessible test section features three side windows, allowing local flow and flame analysis with particle image velocimetry (PIV) and CH* chemiluminescence as well as pressure, temperature, and species exit measurements. The research objective was to predict and verify NO x formation of the premixed 12.7 mm axial jet. Three headend temperature levels were investigated along with three premixed jets at lean (φ Jet = 0.75), near-stoichiometric (φ Jet = 1.07), and rich (φ Jet = 1.78) axial fuel line equivalence ratio. Based on the matching exit emission concentration, global emission benefits were investigated by adjustment of the fuel stratification. The perfectly premixed methane/air flames of this study were shown to ignite at the lee-side of the jet. For the elevated headend temperature level T = 1800 K, the flame extended beyond the windward jet trajectory and caused high axial NO production. For industry application, a firing temperature of 1920 K was achieved with a NO x optimized fuel split of 25%, combining a lean headend (φ Headend = 0.61) with a rich (φ Jet = 1.78) jet equivalence ratio. As a result, this operating point allowed minimization of the combustor residence time at temperatures above 1700 K as well as combustion in a compact flame at the jet lee-side along the counter rotating vortex pair.

03 NATURAL GAS↗

Data Report: UT-GOM2-1 Sediment Grain Size Measurements at Site GC 955, Holes H002 and H005

Sediment grain size measurement in marine sediments provides a record of the stratigraphic variation in grain size and thus energy regime at the time of deposition. In addition to the grain size distribution, the degree of sediment sorting can also be calculated, and together they both influence primary sediment porosity and permeability. Here we present sediment grain size results from laser diffraction particle size analysis of samples from pressure cores collected during the 2017 UT GOM2-1 Expedition. We measured both bulk sediment and organic carbon-free sediment fractions for 46 samples and organic carbon-free sediment for 5 samples at Site GC 955, Holes H002 and H005. Differences between the bulk sediment and organic carbon-free fractions reflect the relative amount and size fraction of the organic carbon. The sample results presented here represent the grain size variation of the host lithology across the Green Canyon (GC) 955 gas hydrate reservoir.

03 NATURAL GAS↗

Design and Technoeconomic Analysis of High-Temperature Particle Conveyance Components for a 100 MW e Concentrating Solar Power Plant

Levelized costs of electricity (LCOE) approaching the U.S. Department of Energy Solar Energy Technologies Office 2030 goal of 0.05 $/kWh may be achievable using Brayton power cycles that use supercritical CO2 as the working fluid and flowing solid particles with temperatures >700° C as the heat transfer media. The handling and conveyance of bulk solid particles at these temperatures in an insulated environment is a critical technical challenge that must be solved for this approach to be used. A design study was conducted at the National Solar Thermal Test Facility (NSTTF) at Sandia National Laboratories in Albuquerque, NM, with the objective of identifying the technical readiness level, performance limits, capital and O&M costs, and expected thermal losses of particle handling and conveyance components in a particle-based CSP plant. Key findings indicated that chutes can be a low-cost option for particle handling but uncertainties in tower costs make it difficult to know whether they can be cost effective in areas above the receiver if tower heights must then be increased. Skips and high temperature particle conveyance technology are available for moving particles up to 640° C. This limits the use of mechanical conveyance above the heat exchanger and suggests vertical integration of the hot storage bin and heat exchanger to facilitate direct gravity fed handling of particles.

14 SOLAR ENERGY↗

Small field campaign: aerosol – ice formation closure pilot study. Final Report

Prediction of atmospheric ice formation from aerosol particles by heterogeneous nucleation represents one of the grand challenges in atmospheric science. Our insufficient predictive understanding of primary ice formation is the reason that climate models typically do not include heterogeneous ice nucleation with subsequent effects on climate uncertainty. Mixed-phase clouds, where supercooled water droplets and ice crystals coexist play globally an important role regulating climate. This is especially the case for the Arctic region that experiences the greatest warming due to climate change compared to other regions in the world. Immersion freezing initiated by ice-nucleating particles (INPs) in supercooled water droplets is recognized as the dominant primary ice formation pathway in mixed-phase cloud regimes. For this reason, it is crucial to evaluate our capability to predict immersion freezing for a given ambient aerosol population. The goal of this project is conducting a field-based pilot study at the U.S. DOE Atmospheric Radiation Measurement (ARM) user facility at Southern Great Plains (SGP) to evaluate our capability to predict the number concentration of aerosol particles that serve as INPs in the immersion freezing mode. Successful prediction of INP number concentrations is also termed “closure”. This field-observational approach represents a first-of-its kind attempt of an aerosol–ice formation closure study (AEROICESTUDY). Very few closure studies related to INPs have been conducted, and to our knowledge, none using robust size-resolved ambient aerosol composition measurements as a starting point. Achievement of aerosol–ice formation closure relies on our ability to characterize the ambient aerosol population with respect to particles size and composition and to determine INP number concentrations for specified freezing temperatures. This requires numerous online and offline instrumentation resulting in this pilot field campaign being a multi-institutional and community-collaborative effort. We chose the ARM SGP megasite for this first aerosol-ice formation closure pilot study due to its significant measurement capabilities available to obtain detailed physical characterization of the local aerosol population including size distribution, mass loading, and chemical composition of non-refractory aerosol particles. The overall objective of this project is to identify ice nucleation parameterizations that produce the most robust predictions of INP numbers and thus are best suited to be included in cloud and climate models. This objective includes the following goals for this field and laboratory-based project: i) What are the crucial aerosol physicochemical property measurements needed to accurately guide ice nucleation representations in models and long-term INP measurements? ii) What level of parameter details needs to be known to achieve aerosol–ice formation closure? iii) What are the leading causes for climate model bias in INP predictions? We found that the advances in our understanding of immersion freezing garnered over the last 20 years allowed us to yield partial and full closures of atmospheric immersion freezing from ambient aerosol particles. When the aerosol population is physicochemically complex and parameterizations for representative INP types are not yet available, we still struggle to accurately predict INP number concentrations. This project clearly demonstrates that with more laboratory and field measurements that are accompanied by particle composition analysis, the necessary datasets to achieve aerosol–ice formation closure for various locations will emerge, thus providing a robust foundation for guiding the representation of INPs in cloud and climate models.

54 ENVIRONMENTAL SCIENCES↗

Comprehensive Study of the Potential of Extracting and Processing Critical Minerals from Coal-Based Resources - Phase I

The Phase I report prepared for the Department of Energy addresses U.S. Executive Order 13817 titled A Federal Strategy to Ensure Secure and Reliable Supplies of Critical Minerals, issued on December 20, 2017, that lists 35 critical minerals that are vulnerable to supply disruption. A comprehensive review of each of the minerals was conducted to determine the criticality based primarily on extractability from coal-based resources. Several other factors were also considered such as gaps in supply and demand, use in current technology, and the existence of viable substitutes. It was determined that the critical minerals that show highest potential for extraction from coal-based resources are lithium, rare earth elements (REEs), cobalt, and manganese. All four of the critical minerals listed serve an important role in the technology industry, have few substitutes, and have a heavy import reliance. Most notably are lithium, which is widely used in the electric vehicle industry, and the REEs which can be found in virtually all electronic devices. The research of critical mineral extraction from coal-based resources was completed using a combination of literature review from public sources as well as cooperation from coal mines and power plants across the United States. Samples collected from six different geographical locations across the U.S. were subjected to sample preparation (i.e., pH measurement, moisture content, particle size analysis) and characterization studies using Inductively Coupled Plasma-Mass Spectroscopy (ICP-MS) and Scanning Electron Microscopy, Energy Dispersive X-Ray Spectroscopy (SEM-EDX) instruments. 27 samples of coal waste materials such as refuse, sludge, and fly ash were tested to characterize the rare earth element concentration by total rare earth elements (TREEs), heavy rare earth elements (HREEs), and light rare earth elements (LREEs). Of the 27 samples tested, 22 contained a TREE concentration higher than the threshold of 300 ppm, which is considered a viable feedstock material. 3 samples contained less than 300 ppm of TREEs; however, they were within 20 ppm of the threshold, and could potentially be considered viable sources in the future pending the advancement of more efficient extraction technologies. 2 of the 27 samples had significantly low TREE concentrations, which does not imply any potential for being a source for REEs. For the minerals identified as most critical in the literature review, a conceptual process flow diagram (PFD) was developed for their extraction from different coal-based feedstocks. The process targets selective recovery of one commodity (i.e., rare earths, lithium, cobalt, and manganese) via several hydrometallurgical separation methods. By identifying potentially extractable coal-based critical mineral resources, a study of the current and future market environments for each critical mineral, and a review of current processing methodologies for critical mineral extraction from coal-based resources, the foundation has been laid to further characterize and explore new resources and extraction techniques. As reliance on technologies in industries such as the production of electronic devices, batteries, and alloys containing critical minerals utilizing critical minerals continues to increase, a sound understanding of our nation’s dependence on and even the global criticality of certain critical minerals, will serve as a catalyst for innovation in virtually all fields of science.

01 COAL, LIGNITE, AND PEAT↗

Characterization of the Soluble and Insoluble Portions of Solids from the Salt Waste Processing Facility Tank 201 and Tank 202 Samples

The Salt Waste Processing Facility (SWPF) Tank 201 and Tank 202 samples have been characterized using X-ray diffraction (XRD), scanning electron microscope/energy dispersive x-ray (SEM/EDX), particle size analysis (PSA-Microtrac), Fourier transform-infrared (FT-IR) and nuclear magnetic resonance ( 1 H NMR) spectroscopic techniques to characterize and identify organic and inorganic components in Tanks 201 and 202 as part of efforts to understand the problems occurring at SWPF due to the presence of solids in the recovered solvent.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Characterization of the Soluble and Insoluble Portions of Solids from the Salt Waste Processing Facility Tank 201 and Tank 202 Samples

The Salt Waste Processing Facility (SWPF) Tank 201 and Tank 202 samples have been characterized using X-ray diffraction (XRD), scanning electron microscope/energy dispersive x-ray (SEM/EDX), particle size analysis (PSA-Microtrac), Fourier transform-infrared (FT-IR) and nuclear magnetic resonance ( 1 H NMR) spectroscopic techniques to characterize and identify organic and inorganic components in Tanks 201 and 202 as part of efforts to understand the problems occurring at SWPF due to the presence of solids in the recovered solvent.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

GEANT4 Simulations on Faraday Cup Design for PIP-II Laser Wire Scanner System

The PIP-II accelerator upgrade at Fermilab represents a groundbreaking leap forward in high-energy physics research. This ambitious initiative involves enhancing Fermilab's accelerator complex by replacing the current linear accelerator with a warm front end (WFE) capable of accelerating H- beams up to 2.1 MeV. Subsequently, a superconducting linac further accelerates these beams up to 800 MeV. To precisely measure the transverse beam profile, a combination of traditional wire scanners at the WFE section and Laser wire scanners along the superconducting linac are planned for implementation. This investigation centers on refining the Faraday cup design for the PIP-II Laser wire scanners by utilizing GEANT4, a Monte Carlo simulation toolkit. Leveraging this method enables a comprehensive analysis of particle trajectories, energy deposition, secondary electron emission, backscattering, etc., facilitating optimization through adjustments to cup geometries, materials, and placement to maximize its efficiency.

43 PARTICLE ACCELERATORS↗

A demonstrator for a real-time AI-FPGA-based triggering system for sPHENIX at RHIC

The RHIC interaction rate at sPHENIX will reach around 3 MHz in pp collisions and requires the detector readout to reject events by a factor of over 200 to fit the DAQ bandwidth of 15 kHz. Some critical measurements, such as heavy flavor production in pp collisions, often require the analysis of particles produced at low momentum. This prohibits adopting the traditional approach, where data rates are reduced through triggering on rare high momentum probes. We explore a new approach based on real-time AI technology, adopt an FPGA-based implementation using a custom designed FELIX-712 board with the Xilinx Kintex Ultrascale FPGA, and deploy the system in the detector readout electronics loop for real-time trigger decision.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Effect of moisture ingression on material performance and particle generation in molten salts

This report summarizes activities conducted to understand and mitigate the negative consequences that moisture ingressions have upon the operations of pyroprocessing equipment. The objectives of the work conducted in FY25 were to characterize (1) the physicochemical properties of particles generated as a result of moisture ingressions, and (2) the corrosion of relevant structural materials with the introduction of moisture. Compositional and morphological analyses of the generated particles were conducted through a suite of characterization technologies, including X-ray diffraction, microscopy, and particle size analysis. The results gathered this year were compared to those obtained in FY24 when studies with oxygen ingressions were conducted on CeCl 3 -LiCl-KCl and UCl 3 -LiCl-KCl systems. Investigations involving performance evaluations of industrially relevant structural alloys were also conducted under moisture ingress conditions. In-line electrochemical monitoring of the bulk salt was augmented with microscopy of alloy samples to quantify the concentration and accumulation of corrosion products in the bulk salt. The results reported in this work provide a more holistic understanding of the effects of atmospheric ingressions on molten chloride salt chemistry such that effective redox control strategies may be implemented.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Evaluation of Properties for Microsample Identification

A study was conducted to determine if individual particle characteristics could be used to identify particles of interest, sub-samples, from bulk post-detonation debris. Three archived post-detonation debris samples were used for this effort. Particles from these samples were identified as active (produced fission tracks), and inactive (did not produce fission tracks), as the first defining characteristic. Morphology was the secondary characteristic to select particles for further study, i.e. spherical/non-spherical. Once particles were identified and isolated, they were characterized by optical microscopy for size in µm, number of fission tracks, morphology, transmitted light color, and reflected light color. Particles were then analyzed by scanning electron microscopy for morphology, elemental content, and compound identification. Raman spectroscopy was attempted on five particles with indeterminate results due to environmental mixing (heterogeneity) during the events of particle formation. Once all non-destructive analyses were completed all particles were analyzed by thermal ionization mass spectrometry to determine isotopic atom percents of plutonium and uranium, and an estimate of atoms of plutonium and uranium in each particle. An estimate of the ratio of uranium to plutonium was also obtained (U/Pu). Data analytics of the data from the particles showed that combining characteristics of the particles have a high probability of identifying particles of interest from bulk post-detonation debris samples. Please note that this version of the report is an abridged version of the full report (Wagnon et al. 2025) that has been edited to be appropriate for public release.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Fluorescent Particle Vertical Profiles at CoURAGE (FPVPC) Field Campaign Report

The Fluorescent Particle Vertical Profiles at CoURAGE (FPVPC) campaign was designed to characterize the vertical distribution of bioaerosol-relevant particles at the urban-rural interface sampled during the U.S. Department of Energy Atmospheric Radiation Measurement (ARM) User Facility’s Coast-Urban-Rural Atmospheric Gradient Experiment (CoURAGE). Bioaerosols, including bacteria, fungi, viruses, pollen, spores, and biological fragments, can affect cloud formation, disease transmission, allergen exposure, and biogeochemical cycling. Although ground-level bioaerosol abundance and composition have been studied extensively, their vertical distributions remain poorly constrained across different ecosystems, source regions, and meteorological regimes. The CoURAGE deployment addresses this gap by pairing ARM tethered balloon system (TBS)vertical profiling with in situ single-particle fluorescence measurements and offline single-particle chemical analysis.

54 ENVIRONMENTAL SCIENCES↗

First Measurement of Sub-GeV nu_mu Charged-Current Coherent Pion Production on Argon in MicroBooNE

Coherent pion production, characterized by a neutrino interacting with an entire nucleus without breaking it apart, results in a forward-going muon, pion, and a low-momentum recoil nucleus. This process provides a sensitive probe of neutrino-nucleus interactions and offers a potential standard candle for neutrino-flux normalization in neutrino-oscillation experiments. We present the first measurement of the flux-averaged charged-current coherent pion production cross section on argon nucleus using the MicroBooNE liquid argon time projection chamber. The analysis employs particle identification together with a data-driven background parameterization to isolate the coherent signal. This measurement uses the full MicroBooNE dataset collected from the Fermilab Booster Neutrino Beam, corresponding to an exposure of 1.26E10^21 protons on target and an average neutrino energy of approximately 0.8 GeV. The result provides the first constraint on charged-current coherent pion production on argon nucleus at sub-GeV energies and supplies important input for improving neutrino interaction modeling in current and future experiments such as DUNE.

Hussain, Adil [Kansas State U.] (ORCID:00000001621↗

The His-tag as a decoy modulating preferred orientation in cryoEM

The His-tag is a widely used affinity tag that facilitates purification by means of affinity chromatography of recombinant proteins for functional and structural studies. We show here that His-tag presence affects how coproheme decarboxylase interacts with the air-water interface during grid preparation for cryoEM. Depending on His-tag presence or absence, we observe significant changes in patterns of preferred orientation. Our analysis of particle orientations suggests that His-tag presence can mask the hydrophobic and hydrophilic patches on a protein’s surface that mediate the interactions with the air-water interface, while the hydrophobic linker between a His-tag and the coding sequence of the protein may enhance other interactions with the air-water interface. Our observations suggest that tagging, including rational design of the linkers between an affinity tag and a protein of interest, offer a promising approach to modulating interactions with the air-water interface.

59 BASIC BIOLOGICAL SCIENCES↗

Recycling Disassembled Automotive Plastic Components for New Vehicle Components: Enabling the Automotive Circular Economy

As the automotive industry increasingly relies on plastic components to meet fuel efficiency and emissions targets, the challenge of managing end-of-life vehicle (ELV) plastics continues to grow. Currently, more than 80% of ELV plastics in the U.S. are landfilled due to limited economic incentives and technical barriers to recycling. This study examines a mechanical recycling pathway for thermoplastic components disassembled from ELVs and assesses their usability for reintegration into new vehicle parts. Four representative materials were chosen based on material labels embedded in recovered parts and aligned with their virgin industrial equivalents: polypropylene (PP), 10% talc-filled PP (PP-T10), 20% talc-filled PP (PP-T20), and a 20% glass-/mineral-filled polyamide (PA6 + GF7 + MF13). The materials underwent shredding, drying, and injection molding before being characterized by particle size analysis, density measurement, thermal analysis (TGA, DSC), mechanical testing, and heat deflection temperature (HDT) evaluation. The results in this work indicated that minor differences in crystallinity were observed and small differences between model materials and ELV materials could have contributed to these changes. Mechanical testing revealed that neat polypropylene suffered a 15–20% reduction in stiffness and tensile strength, but talc-filled polypropylene and glass/mineral-filled nylon retained >90% of their modulus, strength, and heat deflection temperature values relative to virgin controls. Differences between virgin and ELV materials could have been attributed to use life degradation, contamination during use life, or even chemical/processing differences in model materials and ELV materials. However, these findings suggest that mechanically recycled, disassembled ELV plastics can retain sufficient structural performance to support circularity efforts in the automotive sector.

automotive recycling↗

Optics Studies for Multipass Energy Recovery at CEBAF: ER@CEBAF

Energy recovery linacs (ERLs), focus on recycling the kinetic energy of electron beam for the purpose of accelerating a newly injected beam within the same accelerating structure. The rising developments in the super conducting radio frequency technology, ERL technology has achieved several noteworthy milestones over the past few decades. In year 2003, Jefferson Lab has successfully demonstrated a single pass energy recovery at the CEBAF accelerator. Furthermore, they conducted successful experiments with IR-FEL demo and upgrades, as well as the UV FEL driver. This multi-pass, multi-GeV range energy recovery demonstration proposed to be carried out at CEBAF accelerator at Jefferson Lab focuses on demonstrating highest energy recovery in super conducting linac in the low-current range. Continuous electron beam accelerate up to 7.5 GeV within 5-passes and decelerate in the next 5-passes recovering RF energy and dumps at a low energy dump. The beamline optics design for recirculating linacs require special attention to avoid beam instabilities due to RF wakefields. Usually, multi-pass linac beam lines require stronger focusing at lower energies as that is necessary to avoid beam breakup (BBU) instabilities, even with this small beam current. The CEBAF linac optics optimization is focused on balancing over-focusing at higher energies and beta excursions at lower energies. The race-track-shaped geometry of CEBAF accelerator allows its linacs to accommodate multiple energy beams simultaneously, while individual recirculating arcs transporting one beam energy, are shared between accelerating/decelerating beams. For the linac optics optimization process, an extended strategy is used that is originally used in 6-pass Recirculating Linac design of the LHeC, to represent the ten passes through a single linac. Using proper mathematical expressions, linac optics optimization can be achieved with evolutionary genetic algorithms, with Multi-Objective optimization. This thesis introduces a CEBAF optics redesign tailored to accommodates the ER@CEBAF multi-pass ER scheme. The isochronous arcs were retuned to match into optics solutions for optimized 10-pass linacs. Within this work, a single bunch particle tracking analysis presented here focuses on the further improvements of the beamline and beam transportation.

Neththikumara, Isurumali↗