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At least 883 records · Page 49

Extensive urban air pollution footprint evidenced by submicron organic aerosols molecular composition

Transport and transformation of urban air pollutants are among the major factors driving the changes in the atmospheric composition in the downwind rural/remote areas of a megacity. Here, we assess the impacts of urban air pollution in a subtropical forest through characterization of the organic markers in submicron aerosol particles. The aerosol samples were collected and analyzed using TD-PTR-ToF-MS, where 163 ions were detected. The concentration of these extracted ions accounts for 83% of the mass of submicron organic aerosols, which are accordingly characterized by a median formula of C 7 H 10 O 2 . Molecular speciation indicates that urban and biomass burning pollution contributed substantially to the budget of organic aerosols, which were enhanced particularly by the liquid water content and acidity of the aerosols. Our results evidence that the footprint of urban air pollution was extended to its downwind forested areas and caused changes in the concentration and composition of submicron aerosols.

54 ENVIRONMENTAL SCIENCES↗

Relating microstructure to defect behavior in AA6061 using a combined computational and multiscale electron microscopy approach

In this paper, a multiscale electron microscopy-based approach is applied to understanding how different aspects of the microstructure in a notched AA6061-T6, including grain boundaries, triple junctions, and intermetallic particles, promote localized dislocation accumulation as a function of applied tensile strain and depth from the sample surface. Experimental measurements and crystal plasticity simulations of dislocation distributions as a function of distance from specified microstructural features both showed preferential dislocation accumulation near intermetallic particles relative to grain boundaries and triple junctions. High resolution electron backscatter diffraction and site-specific transmission electron microscopy characterization showed that high levels of dislocation accumulation near intermetallic particles led to the development of an ultrafine sub-grain microstructure, indicative of a much higher level of local plasticity than predicted from the coarser measurements and simulations. In addition, high resolution measurements in front of a crack tip suggested a compounding influence of intermetallic particles and grain boundaries in dictating crack propagation pathways.

36 MATERIALS SCIENCE↗

Cloud Water Chemistry and Aerosol Processing: Assessing the Hydroxyl Radical Burst in Newly Formed Cloud Droplets (Field Campaign Report)

Aerosol particles are tiny liquid or solid particles in the atmosphere, ranging in size from a few nanometers to several micrometers in diameter. Aerosol-cloud interactions are the most uncertain aspect of the climate system, and models routinely underpredict aerosol particle formation. Clouds are well known to alter aerosol size, chemical composition, and radiative properties, but the processes are poorly characterized. Organics and sulfates are the most abundant materials in particles, and for each of these there are significant gaps in the understanding of the role of clouds in their formation and/or aging. Many of the cloud processes are driven by aqueous chemistry that depends on hydroxyl (OH) radicals, the subject of this project.

54 ENVIRONMENTAL SCIENCES↗

Strong- vs. weak-coupling pictures of jet quenching: a dry run using QED

High-energy partons (E >> T) traveling through a quark-gluon plasma lose energy by splitting via bremsstrahlung and pair production. Regardless of whether or not the quark-gluon plasma itself is strongly coupled, a vital question lying at the heart of philosophically different approaches to energy loss is whether the high-energy partons of an in-medium shower can be thought of as a collection of individual particles, or whether their coupling to each other is also so strong that a description as high-energy ``particles'' is inappropriate. We discuss some possible theorists' tests of this question for simple situations (e.g. an infinite, non-expanding plasma) using thought experiments and first-principles quantum field theory calculations (with some simplifying approximations). The physics of in-medium showers is substantially affected by the Landau-Pomeranchuk-Midgal (LPM) effect, and our proposed tests require use of what might be called ``next-to-leading order'' LPM results, which account for quantum interference between consecutive splittings. The complete set of such results is not yet available for QCD but is already available for the theory of large-N f QED. We therefore use large-N f QED as an example, presenting numerical results as a function of N f alpha, where alpha is the strength of the coupling at the relevant high-energy scale characterizing splittings of the high-energy particles.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Model-based Reconstruction for Single Particle Cryo-Electron Microscopy

Single particle cryo-electron microscopy is a vital tool for 3D characterization of protein structures. A typical workflow involves acquiring projection images of a collection of randomly oriented particles, picking and classifying individual particle projections by orientation, and finally using the individual particle projections to reconstruct a 3D map of the electron density profile. The reconstruction is challenging because of the low signal-to-noise ratio of the data, the unknown orientation of the particles, and the sparsity of data especially when dealing with flexible proteins where there may not be sufficient data corresponding to each class to obtain an accurate reconstruction using standard algorithms. In this paper we present a model-based image reconstruction technique that uses a regularized cost function to reconstruct the 3D density map by assuming known orientations for the particles. Our method casts the reconstruction as minimizing a cost function involving a novel forward model term that accounts for the contrast transfer function of the microscope, the orientation of the particles and the center of rotation offsets. We combine the forward model term with a regularizer that enforces desirable properties in the volume to be reconstructed. Using simulated data, we demonstrate how our method can significantly improve upon the typically used approach.

Venkatakrishnan, Singanallur↗

Dynamics of solid lubrication as observed by optical microscopy

A bench metallograph was converted into a micro contact imager by the addition of a tribometer employing a steel ball in sliding contact with a glass disk. The sliding contact was viewed in real time by means of projection microscope optics. The dynamics of abrasive particles and of solid lubricant particles within the contact were observed in detail. The contact was characterized by a constantly changing pattern of elastic strain with the passage of surface discontinuities and solid particles. Abrasive particles fragmented upon entering the contact, embedded in one surface and scratched the other; in contrast, the solid lubricant particles flowed plastically into thin films. The rheological behavior of the lubricating solids gave every appearance of a paste-like consistency within the Hertzian contact.

Sliney, H. E.↗

Dynamics of solid lubrication as observed by optical microscopy

A bench metallograph was converted into a 'micro contact imager' by the addition of a tribometer employing a steel ball in sliding contact with a glass disk. The sliding contact was viewed in real time by means of projection microscope optics. The dynamics of abrasive particles and of solid lubricant particles within the contact were observed in detail. The contact was characterized by a constantly changing pattern of elastic strain with the passage of surface discontinuities and solid particles. Abrasive particles fragmented upon entering the contact, embedded in one surface and scratched the other; in contrast, the solid lubricant particles flowed plastically into thin films. The rheological behavior of the lubricating solids gave every appearance of a paste-like consistency within the Hertzian contact.

Sliney, H. E.↗

Ejection of Dust From the Ocean as a Potential Source of Marine Ice Nucleating Particles

Oceans are, generally, relatively weak sources of ice nucleating particles (INPs). Thus, dust transported from terrestrial regions can dominate atmospheric INP concentrations even in remote marine regions. Studies of ocean-emitted INPs have focused upon sea spray aerosols containing biogenic species. Even though large concentrations of dust are transported over marine regions, resuspended dust has never been explicitly considered as another possible source of ocean-emitted INPs. Current models assume that deposited dust is not re-emitted from surface waters. Our laboratory studies of aerosol particles produced from coastal seawater and synthetic seawater doped with dust show that dust can indeed be ejected from water during bubble bursting. INP concentration measurements show these ejected dust particles retain ice nucleating activity. Doping synthetic seawater to simulate a strong dust deposition event produced INPs active at temperatures colder than -13 °C and INP concentrations one to two orders of magnitude greater than either lab sea spray or marine boundary layer measurements. The relevance of these laboratory findings is highlighted by single particle composition measurements along the Californian coast where at least 9% of dust particles were mixed with sea salt. Additionally, global modeling studies show that resuspension of dust from the ocean could exert the most impact over the Southern Ocean, where ocean-emitted INPs are thought to dominate atmospheric INP populations. More work characterizing the factors governing the resuspension of dust particles is required to understand the potential impact upon clouds.

54 ENVIRONMENTAL SCIENCES↗

Fluorescent Particle Vertical Profiles (Counts and Fractions) at SAIL

This dataset contains vertically resolved fluorescent aerosol number concentrations and fluorescent fractions of total aerosol number concentrations measured with the ARM Tethered Balloon System during the Surface Atmosphere Integrated Field Laboratory campaign near Gothic, Colorado. Measurements were collected during April and June 2023 as part of the ARM–EMSL FICUS project “Characterization of the Aerobiome during the ARM Surface-Atmosphere Integrated Laboratory Campaign,” which was designed to characterize the vertical distribution of bioaerosol-relevant particles in the Colorado River Basin. The dataset includes profiles of fluorescent particle concentrations measured with a Fluorescent Portable Optical Particle Sizer (FPOPS) in the approximately 0.5–3 µm diameter range. For fluorescent fractions of total aerosol number concentrations, we compare FPOPS measurements to POPS on the same TBS flight.

Fluorescent particle concentration↗

Assessment and Improvement Proposals for High-Pressure Rinsing Processes during Cleanroom Preparation of Superconducting Radio-Frequency Cavities for Particle Accelerators

The goal of this internship is to develop a fluid dynamics characterization of the high-pressure flow used for cleaning the internal surface of the SRF cavities. Initially, the High Pressure Rinsing (HPR) process is introduced, focusing on the problems of the SRF cavities and how this method can be used to increase their acceleration efficiency and performance. The characterization of the problem is then presented, including an introduction to the multiphase flow modeling and the analysis of the Fermilab facility for the HPR. To accomplish the goal, a preliminary estimation of the variables was performed using MATLAB. Then, multiple 2D simulations were developed with Ansys Fluent, and the influence of the main parameter was investigated. The simulation results are then presented and analysed, with a focus on the possible future developments of the HPR process fluid dynamic characterization.

43 PARTICLE ACCELERATORS↗

Characterization of sub-picosecond laser-produced fast electrons by modeling angularly resolved bremsstrahlung measurements with 3D hybrid particle-in-cell code

Hard x-rays produced by intense laser-produced fast electrons interacting with solids are a vital source for producing radiographs of high-density objects and implosion cores for inertial confinement fusion. Accurate calculation of hard x-ray sources requires a three-dimensional (3D) simulation geometry that fully models the electron transport dynamics, including electron recirculation and the generation of absolute photon yields. To date, 3D simulations of laser-produced bremsstrahlung photons over tens of picoseconds and code benchmarking have not been performed definitively. In this study, we characterize sub-picosecond laser-produced fast electrons by modeling angularly resolved bremsstrahlung measurements for refluxing and non-refluxing targets using the 3D hybrid particle-in-cell (PIC), Large Scale Plasma code. Bremsstrahlung radiation and escaped electron data were obtained by focusing a 50-TW Leopard laser (15 J, 0.35 ps, 2 × 10 19 W/cm 2 ) on a 100-μm-thick Cu foil and a Cu with a large plastic backing (Cu–CH target). Data for both the Cu and Cu–CH targets were reproduced for simulations with a given set of electron parameters. Comparison of the simulations revealed that the hard x-ray emission from the Cu target was significantly longer in duration than that from the Cu–CH target. Here, the benchmarked hybrid PIC code could prove to be a powerful tool in the design and optimization of time- and angular-dependent bremsstrahlung sources for flash x-ray and gamma-ray radiography.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Developing and Testing a Novel Stochastic Ice Microphysics Parameterization for Cloud and Climate Models Using ARM Field Campaign Data (Final Progress Report)

The major goals of this project were: 1) to use field campaign measurements from DOE’s Atmospheric Radiation Measurement (ARM) program to characterize variability of important parameters describing properties of ice particles in the atmosphere; 2) based on this observational analysis, to develop a parameterization scheme for weather and climate models that stochastically varies these parameters, and implement the new scheme into a weather model called the Weather Research and Forecasting model (WRF); 3) to use WRF coupled with the new stochastic scheme to simulate ARM field campaign thunderstorm cases and analyze how accounting for this parameter variability affects the model simulations. This work was performed jointly between the National Center for Atmospheric Research, University of Oklahoma, and University of Utah. To accomplish these goals, we extended an approach previously developed to characterize the variability in the size distribution of ice particles to parameters that are explicitly represented in models (i.e., relationships between ice particle mass and size, and between particle fall velocity and size). Our project was, to our knowledge, the first to apply observationally-constrained estimates of this parameter variability describing mass-size and fall velocity-size in a modeling framework. Our results showed efficacy of the approach, evaluated using ARM observations. Similarly, to our knowledge, work in this project was the first to propose and evaluate in detail a stochastic approach for unresolved turbulent mixing in high-resolution model simulations against detailed, benchmark large eddy simulations and ARM observations. Results showed some promising behavior, particularly with increased mixing and dilution of air in thunderstorm cores with surrounding environmental air, bringing the stochastic simulations closer to the benchmark large eddy simulations; however, results were somewhat degraded using stochastic mixing compared to observations from the AMIE/DYNAMO field campaign. This project also further refined and applied a modeling methodology called “piggybacking” that can robustly separate dynamical and thermodynamic impacts of model changes, and comparison studies of different models based on cases developed from ARM observations. Finally, this project directly supported three graduate students who completed their PhDs as well as a postdoctoral research fellow.

54 ENVIRONMENTAL SCIENCES↗

Model-based iterative reconstruction with adaptive regularization for artifact reduction in electron tomography

Obtaining high-quality 3D reconstructions from electron tomography of crystalline particles embedded in lighter support elements is crucial for various material systems such as catalysts for fuel cell applications. However, significant challenges arise due to the limited tilt range, sparse and low signal-to-noise ratio of the measurements. In addition, small metal particles can cause strong streaking and shading artifacts in the 3D reconstructions when using conventional reconstruction algorithms due to the presence of Bragg diffraction and the large scattering cross-section difference between the materials of the particles and the background support regions. These artifacts lead to errors in the downstream characterization affecting extraction of critical features such as the size of the metal particles, their distribution and the volume of the lighter support regions. In this paper, we present a two-stage algorithm based on metal artifact reduction, utilizing model-based iterative reconstruction methods with adaptive adjustment of regularization parameters. Our approach yields high-quality 3D reconstructions compared to traditional algorithms, accurately capturing both the metal particles as well as the background support. We demonstrate the effectiveness of our algorithm through simulated and experimental bright-field electron tomography data, showing significant improvements in reconstruction quality compared to traditional methods.

97 MATHEMATICS AND COMPUTING↗

Diverse delayed effects in human lymphoblastoid cells surviving exposure to high-LET (56)Fe particles or low-LET (137)Cs gamma radiation

To obtain information on the origin of radiation-induced genomic instability, we characterized a total of 166 clones that survived exposure to (56)Fe particles or (137)Cs gamma radiation, isolated approximately 36 generations after exposure, along with their respective control clones. Cytogenetic aberrations, growth alterations, responses to a second irradiation, and mutant frequencies at the Na(+)/K(+) ATPase and thymidine kinase loci were determined. A greater percentage of clones that survived exposure to (56)Fe particles exhibited instability (defined as clones showing one or more outlying characteristics) than in the case of those that survived gamma irradiation. The phenotypes of the unstable clones that survived exposure to (56)Fe particles were also qualitatively different from those of the clones that survived gamma irradiation. A greater percentage (20%) of the unstable clones that survived gamma irradiation than those that survived exposure to (56)Fe particles (4%) showed an altered response to the second irradiation, while an increase in the percentage of clones that had an outlying frequency of ouabain-resistant and thymidine kinase mutants was more evident in the clones exposed to (56)Fe particles than in those exposed to gamma rays. Growth alterations and increases in dicentric chromosomes were found only in clones with more than one alteration. These results underscore the complex nature of genomic instability and the likelihood that radiation-induced genomic instability arises from different original events.

NASA Discipline Radiation Health↗

The Hoyle Family: The Search for Alpha-Condensate States in Light Nuclei

Our present understanding of the structure of the Hoyle state in 12 C and other near-threshold states in α-conjugate nuclei is reviewed in the framework of the α-condensate model. The 12 C Hoyle state, in particular, is a candidate for α-condensation, due to its large radius and α-cluster structure. The predicted features of nuclear α-particle condensates are reviewed along with a discussion of their experimental indicators, with a focus on precision break-up measurements. Two experiments are discussed in detail, firstly concerning the break-up of 12 C and then the decays of heavier nuclei. With more theoretical input, and increasingly complex detector setups, precision break-up measurements can, in principle, provide insight into the structures of states in α-conjugate nuclei. However, the commonly-held belief that the decay of a condensate state will result in Nα-particles is challenged. We further conclude that unambiguously characterizing excited states built on α-condensates is difficult, despite improvements in detector technology.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Report on partially complete post-irradiation-examination of the INL samples

Ferritic-martensitic steels (NF616 and T91), and austenitic stainless steel 800H and its Grain Boundary Engineering (GBE)-treated version 800H-TMP (ThermoMechanical Processing) were irradiated in the Advanced Test Reactor (ATR) at Idaho National Laboratory (INL) and their microstructures and mechanical properties were characterized. Ferritic-martensitic steels were irradiated up to 8.16 dpa in the irradiation temperatures ranging from 241 °C to 447.5 °C. Selected 800H and 800H-TMP samples were also irradiated up to 9.12 dpa at 359°C to 431°C. Vickers hardness measurement, fractography, and microstructural characterization were performed on the selected samples in the LAMDA lab. Radiation-induced hardening of NF616 and T91 was observed in the hardness measurements which show ~37% to ~65% increases, depending on irradiation dose and irradiation temperature. Within the irradiation conditions studied in this work, samples with a higher dose had a higher hardness. All the tested alloy 800H and 800H-TMP in this work showed irradiation-hardening by ~96±7% to ~152±10%. Alloy 800HTMP tended to have slightly smaller irradiation-hardening than alloy 800H. The fractography of NF616 samples D2 (2.96 dpa at 291.5°C), D4 (5.91 dpa at 359°C), and D6 (8.16 dpa at 431°C) indicated loss of ductility with negligible necking for the sample D2, yet obvious ductile failure for samples D4 and D6. Fractography of alloy 800H samples N4 (7.27 dpa at 359°C), N5 (3.9 dpa at 451.5°C), and N6 (9.01 dpa at 431°C), and alloy 800H-TMP samples P4 (7.36 dpa at 359°C), P5 (3.95 dpa at 451.5°C), and P6 (9.12 dpa at 431°C) indicated that all samples failed in a ductile mode, with obvious necking. Dimples were observed where large Ti-containing particles were observed for the samples. TEM characterization was performed on alloy 800H (N4, N5, N6) and 800H-TMP (P4, P5 and P6). Accumulation of M23C6 precipitates at grain boundaries was observed in all samples, and the presence of Ti(C,N) precipitates at grain boundaries and in the matrix was observed in alloy 800H-TMP. M23C6 precipitates were found to have the cube-on-cube orientation relationship with the matrix. In addition, nanoscale Si-rich clusters were observed in the matrix of all samples. Atom probe tomography was conducted on the same samples, and their results are being analyzed to be integrated with the TEM results for a confident description of the clustering behavior. Due to the low irradiation temperature (up to 451.5°C), dislocation loops formed in all samples, with the density and the average size of dislocation loops in the order of 1022 – 1023 m-3 and 11.7 – 15.9 nm, respectively. The loop densities in alloy 800H were higher than that in alloy 800H-TMP under the same irradiation conditions. Further systematic data analyses, together with some complementary experiments, will be pursued for these samples to foster peer-reviewed journal article publications.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Ab Initio Studies on the Stopping Power of Warm Dense Matter with Time-Dependent Orbital-Free Density Functional Theory

Here, electronic transport properties of warm dense matter, such as electrical/thermal conductivities and nonadiabatic stopping power, are of particular interest to geophysics, planetary science, astrophysics, and inertial confinement fusion (ICF). One example is the α-particle stopping power of dense deuterium–tritium (DT) plasmas, which must be precisely known for current small-margin ICF target designs to ignite. We have developed a time-dependent orbital-free density functional theory (TD-OF-DFT) method for ab initio investigations of the charged-particle stopping power of warm dense matter. Our current dependent TD-OF-DFT calculations have reproduced the recently well-characterized stopping power experiment in warm dense beryllium. Forα-particle stopping in warm and solid-density DT plasmas, the ab initio TD-OF-DFT simulations show a lower stopping power up to ~25% in comparison with two stopping-power models widely used in the high-energy-density physics community.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗