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At least 307 records · Page 17

Particulate Emission and Optical Measurements in n-Heptane Low-Swirl Non-Premixed Flames at Elevated Pressures

A series of ground combustion tests conducted at elevated pressures demonstrates in-chamber optical measurements of soot emissions, combined with conventional gaseous and particle emissions sampling techniques. Utilizing a micro-radial-entry counter-swirl (MRX) burner, we successfully stabilized an n-heptane low-swirl, non-premixed spray flame across a wide range of equivalence ratios at pressures reaching 250 psia. Our optical diagnostics feature a temporally gated diffused-backlight illumination extinction imaging (DBI-EI) system, equipped with a 470-nm strobe high-intensity LED array as the illumination source, along with a line-of-sight telecentric camera. By accessing the flame tube, the pulsed DBI-EI provides illuminating optical extinction images, enabling experimental estimation of soot volume fractions within the reaction zone. This imaging technique will allow for real-time observation of soot formation dynamics occurring above the air-blast fuel injector. To further enhance our analysis, we employed simultaneous gaseous and particulate extractive diagnostics, interpreting in-flame particulate information through CO2 sampling, exhaust particle sizing, and particle counting. The processed dataset reveals a promising application of DBI-EI for propulsion emission analysis in high-pressure environments, where optical beam-steering effects can significantly impact results. This report is essential to bridging the divide between in-flame optical diagnostics and exhaust extractive measurements. By achieving an understanding of non-premixed combustion emission characteristics, we attempt to provide invaluable data for computer code validation, advancing the field of combustion research and supporting the development of cleaner, more efficient engines.

high-pressure flame↗

Particulate Emission and Optical Measurements in n-Heptane Low-Swirl Non-Premixed Flames at Elevated Pressures

A series of ground combustion tests conducted at elevated pressures demonstrates in-chamber optical measurements of soot emissions, combined with conventional gaseous and particle emissions sampling techniques. Utilizing a micro-radial-entry counter-swirl (MRX) burner, we successfully stabilized an n-heptane low-swirl, non-premixed spray flame across a wide range of equivalence ratios at pressures reaching 250 psia. Our optical diagnostics feature a temporally gated diffused-backlight illumination extinction imaging (DBI-EI) system, equipped with a 470-nm strobe high-intensity LED array as the illumination source, along with a line-of-sight telecentric camera. By accessing the flame tube, the pulsed DBI-EI provides illuminating optical extinction images, enabling experimental estimation of soot volume fractions within the reaction zone. This imaging technique will allow for real-time observation of soot formation dynamics occurring above the air-blast fuel injector. To further enhance our analysis, we employed simultaneous gaseous and particulate extractive diagnostics, interpreting in-flame particulate information through CO2 sampling, exhaust particle sizing, and particle counting. The processed dataset reveals a promising application of DBI-EI for propulsion emission analysis in high-pressure environments, where optical beam-steering effects can significantly impact results. This report is essential to bridging the divide between in-flame optical diagnostics and exhaust extractive measurements. By achieving an understanding of non-premixed combustion emission characteristics, we attempt to provide invaluable data for computer code validation, advancing the field of combustion research and supporting the development of cleaner, more efficient engines.

high-pressure flame↗

Nanometer Scale Imaging to Develop Quantitative Descriptors of Bipolar Membrane Junction Structure

Swings in pH can be achieved by electrically polarizing a bipolar membrane (BPM) to drive water dissociation at the BPM junction for electrochemical conversion and separation processes. BPM junction design is critical to tailor performance for specific applications; however, characterization techniques capable of resolving the nanometer scale physical structure of the junction are limited. We present sample preparation, imaging, and analysis workflows that are adaptable to a variety of BPM junction architectures. Atomic force microscopy produces BPM junction images with nanometer scale lateral resolution for samples with and without a graphene oxide water dissociation catalyst in the junction. Subsequent image segmentation and analysis quantify line edge roughness and catalyst layer thickness as descriptors of junction structure. Comparison of pre- and post-electrodialysis junctions suggests electric field-induced alignment of catalyst particles during electrodialysis. This characterization workflow can inform manufacturing protocols, computational modeling, and failure mode analysis for next-generation BPMs.

97 MATHEMATICS AND COMPUTING↗

Operando X-ray imaging reveals size-dependent evolution of cobalt oxide thermochemical material during thermal redox cycles

Multivalent metal oxides are promising thermochemical materials (TCMs) for energy storage and conversion owing to their high energy density, air compatibility, and high-temperature stability. Co 3 O 4 serves as a model system for examining particle-size- and structure-dependent redox behavior. While particle size and porosity are known to affect performance, their interplay and the kinetics of pore formation during cycling remain unclear. Here we show the chemical and 3D morphological evolution of Co 3 O 4 micro- and nanoparticles during redox cycles at 800–900 °C using thermal analysis, in-situ synchrotron transmission X-ray microscopy (TXM), and scanning electron microscopy. Thermal analysis shows that nanoparticles re-oxidize more rapidly than microparticles at 800 °C. In-situ nanotomography and chemical imaging reveals that nanoparticles undergo redox conversion without forming internal pores, whereas microparticles develop isolated porosity during reduction. These pores persist through re-oxidation, correlating to a lower conversion rate in subsequent cycles. Our results demonstrate distinct degradation kinetics in Co 3 O 4 micro- and nanoparticles, underscoring the critical role of particle size and porosity in redox performance and informing strategies to enhance the long-term efficiency of metal oxide TCMs.

25 ENERGY STORAGE↗

Introducing the Video In Situ Snowfall Sensor (VISSS)

The open-source Video In Situ Snowfall Sensor (VISSS) is introduced as a novel instrument for the characterization of particle shape and size in snowfall. The VISSS consists of two cameras with LED backlights and telecentric lenses that allow accurate sizing and combine a large observation volume with relatively high pixel resolution and a design that limits wind disturbance. VISSS data products include various particle properties such as maximum extent, cross-sectional area, perimeter, complexity, and sedimentation velocity. Initial analysis shows that the VISSS provides robust statistics based on up to 10 000 unique particle observations per minute. Comparison of the VISSS with the collocated PIP (Precipitation Imaging Package) and Parsivel instruments at Hyytiälä, Finland, shows excellent agreement with the Parsivel but reveals some differences for the PIP that are likely related to PIP data processing and limitations of the PIP with respect to observing smaller particles. The open-source nature of the VISSS hardware plans, data acquisition software, and data processing libraries invites the community to contribute to the development of the instrument, which has many potential applications in atmospheric science and beyond.

54 ENVIRONMENTAL SCIENCES↗

Interdisciplinary investigations of comparative planetology

Research supported wholly or in part by NASA's Planetary Programs Office is summarized. Topics covered include: the evaporation of ice in planetary atmospheres: ice-covered rivers on Mars; reducing greenhouses and the temperature history of Earth and Mars; particle motion on Mars inferred from the Viking Lander cameras; the nature and visibility of crater-associated streaks on Mars; the equilibrium figure of Phobos and other small bodies; striations on Phobos; radiation pressure and Poynting-Robertson drag for small spherical particles; direct imaging of extra-solar planets with stationary occultations; the relation between planetology and conventional astrophysics; remote spectral studies and in situ X-ray fluorescence analysis of the Martian surface; small channels on Mars; junction angles of Martian channels; constraints on Aeolian phenomena on Mars; the geology of Mars; and the flow of erosional debris on the Martian terrain.

Sagan, C.↗

Vortex-Body Interactions: A Critical Assessment. Coupled Gap-Wake Instabilities/Turbulence: A Source of Noise

This program has involved, first of all, a critical state-of-the-art assessment of vortex-body interactions. Then, efforts were focused on experimental investigation on coupled-wake instabilities and turbulence occurring in a two-cylinder system. An extensive review was undertaken on the effect of incident vortices on various types of bodies. These incident vortices have a length scale of the same order of magnitude as the scale of the body. The body can take on various forms, including, for example, a circular cylinder, a blade or a wing. The classes of vortex-body interaction that were critically assessed include: (1) Periodic distortion of the incident (primary) vortex and shedding of secondary vorticity from the surface of the body. (2) Modulated vortex distortion and shedding at a leading-edge or surface due to incidence of a complex system of vortices. (3) Vortex distortion and shedding in presence of body oscillation. (4) Three-dimensional vortex interaction and shedding. For all of these classes of vortex-body interaction, quantitative topologies of the vorticity distributions and streamline patterns were found to be central to a unified description of mechanisms of vortex distortion and shedding. In most cases, it was possible to define relationships between vortex interactions and unsteady loading at the body surface. This phase of the program was an experimental investigation of a two-cylinder system, which simulated a central aspect of a four-wheel bogie on a large-scale commercial aircraft. The overall aim of this experimental research program was to determine the crucial elements of the unsteadiness in the gap and near-wake regions as a function of time using cinema-based techniques. During the research program, various image evaluation techniques were employed. They involved assessment of instantaneous velocity fields, streamline topology and patterns of vorticity. Experiments were performed in a large-scale water channel using a high-resolution version of digital particle image velocimetry. The program has focused on acquisition of images of velocity and vorticity for varying gap widths between the two-cylinder system. As a result of analysis of a relatively large number of images, it is demonstrated that low frequency instabilities can occur in the gap region between the cylinder. These low frequency instabilities are hypothesized to influence the near-wake structure of the entire two-cylinder system. The nature of the unstable shear layers in the gap region involves generation of small-scale Kelvin-Helmholtz instabilities. These unsteady shear layers then impinge upon the upper and lower surfaces of the cylinders, thereby influencing both the unsteady structure and the time-averaged patterns of the near-wake. Initial efforts have focused on characterization of the patterns of instantaneous and averaged streamlines using topological concepts. The end result of this investigation is a series of documented instantaneous images. They will serve as a basis for various types of post-processing, which will lead to a fuller understanding of the instantaneous and time-averaged unstable-turbulent fields in the gap region and downstream of the two-cylinder system. This further assessment is the focus of a subsequent program.

Rockwell, Donald↗

A prototype scintillator real‐time beam monitor for ultra‐high dose rate radiotherapy

Background: FLASH Radiotherapy (RT) is an emergent cancer RT modality where an entire therapeutic dose is delivered at more than 1000 times higher dose rate than conventional RT. For clinical trials to be conducted safely, a precise and fast beam monitor that can generate out-of-tolerance beam interrupts is required. This paper describes the overall concept and provides results from a prototype ultra-fast, scintillator-based beam monitor for both proton and electron beam FLASH applications. Purpose: A FLASH Beam Scintillator Monitor (FBSM) is being developed that employs a novel proprietary scintillator material. The FBSM has capabilities that conventional RT detector technologies are unable to simultaneously provide: (1) large area coverage; (2) a low mass profile; (3) a linear response over a broad dynamic range; (4) radiation hardness; (5) real-time analysis to provide an IEC-compliant fast beam-interrupt signal based on true two-dimensional beam imaging, radiation dosimetry and excellent spatial resolution. Methods: The FBSM uses a proprietary low mass, less than 0.5 mm water equivalent, non-hygroscopic, radiation tolerant scintillator material (designated HM: hybrid material) that is viewed by high frame rate CMOS cameras. Folded optics using mirrors enable a thin monitor profile of ∼10 cm. A field programmable gate array (FPGA) data acquisition system generates real-time analysis on a time scale appropriate to the FLASH RT beam modality: 100–1000 Hz for pulsed electrons and 10–20 kHz for quasi-continuous scanning proton pencil beams. An ion beam monitor served as the initial development platform for this work and was tested in low energy heavy-ion beams ( 86 Kr +26 and protons). A prototype FBSM was fabricated and then tested in various radiation beams that included FLASH level dose per pulse electron beams, and a hospital RT clinic with electron beams. Results: Results presented in this report include image quality, response linearity, radiation hardness, spatial resolution, and real-time data processing. Furthermore, the HM scintillator was found to be highly radiation damage resistant. It exhibited a small 0.025%/kGy signal decrease from a 216 kGy cumulative dose resulting from continuous exposure for 15 min at a FLASH compatible dose rate of 237 Gy/s. Measurements of the signal amplitude versus beam fluence demonstrate linear response of the FBSM at FLASH compatible dose rates of >40 Gy/s. Comparison with commercial Gafchromic film indicates that the FBSM produces a high resolution 2D beam image and can reproduce a nearly identical beam profile, including primary beam tails. The spatial resolution was measured at 35–40 µm. Tests of the firmware beta version show successful operation at 20 000 Hz frame rate or 50 µs/frame, where the real-time analysis of the beam parameters is achieved in less than 1 µs. Conclusions: The FBSM is designed to provide real-time beam profile monitoring over a large active area without significantly degrading the beam quality. A prototype device has been staged in particle beams at currents of single particles up to FLASH level dose rates, using both continuous ion beams and pulsed electron beams. Using a novel scintillator, beam profiling has been demonstrated for currents extending from single particles to 10 nA currents. Radiation damage is minimal and even under FLASH conditions would require ≥50 kGy of accumulated exposure in a single spot to result in a 1% decrease in signal output. Beam imaging is comparable to radiochromic films, and provides immediate images without hours of processing. Real-time data processing, taking less than 50 µs (combined data transfer and analysis times), has been implemented in firmware for 20 kHz frame rates for continuous proton beams.

2D beam imaging↗

Uncertainty analysis of PIV measurements in bubbly flows considering sampling and bubble effects with ray optics modeling

In this report, a modeling-based approach is developed to investigate the external sources of uncertainty in particle image velocimetry (PIV) measurements for two-phase bubbly flows. Primarily relied on ray optics modeling, this study focuses on the uncertainty in PIV measurements due to bubble-induced light distortion. In addition, the uncertainty due to sampling is also considered through synthetic PIV images generated from Monte Carlo sampling. Based on a PIV-planar laser induced florescence (PLIF) measurement system, three case studies are performed and discussed, considering respectively the sampling effect, bubble effect, and the combination of these two effects. These case studies confirm the validity of the ray optics modeling in obtaining accurate particle images through a benchmark test. Furthermore, it is also found that the bubble effect could significantly influence the particle images. On the other hand, the result of the case study with synthetic PIV images indicates that the bubble effect on particle images can be minimized by removing “outliers” in the obtained velocity vector field through a multi-pass post-processing procedure. However, the uncertainty of the velocity measurements will still increase.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Assessing Stratospheric Aerosols Contamination Due to Space Activities

The life cycle of a spacecraft starts and ends in the atmosphere: it interacts with the atmosphere right after the launch and during the atmospheric reentry when it usually mostly ablates. Both phases induce emissions of gases and solid particles, providing a source of these components in the middle atmosphere. Little is known about the exact nature, composition and effects of these emissions on the atmosphere and climate, but their impact is expected to rise as more and more orbiting satellites are launched. Ever since the years 2000, the number of space rockets launched per year has increased by a factor 3 globally. At the same time, the number of satellites launched in orbit around the Earth per year has been multiplied by about 30. One may wonder whether changes in the anthropogenic material injected in the terrestrial stratosphere can be detected and what its influence may be. In order to study the cosmic dust particles arriving on Earth, the NASA Johnson Space Center (JSC) has been systematically collecting solid dust particles from the Earth’s stratosphere by aircraft equipped with dedicated particle collectors since 1981. So far, 25 catalogs have been published, covering campaigns of collection from 1981 to 2020, with a total of 5071 solid particles that have been preliminary characterized and curated. In this work, we use the preliminary classification of the dust particles. Based on SEM images and X-ray EDS composition the collected dust is separated into four groups: C (Cosmic), TCN (Terrestrial Contaminant Natural), TCA (Terrestrial Contaminant Artificial) and AOS (Aluminum Oxide Sphere). The AOS being mostly generated by solid rocket propellant, they also belong to the TCA class. Our analysis of the data published indicates that from 1980 to 2009 the cosmic dust particles typically represent on average 40% of the collection with TCA and TCN corresponding to about 30% each. In the recent years, the TCA fraction has doubled to about 60% of the collection (2010-2020). This increase in anthropogenic particles is likely due to the overall human space activity and its recent increase. We will present the properties of the solid stratospheric dust particles collected and their evolution with time. Future work will be dedicated to better classify the natural and anthropogenic particles collected and described in the existing databases. We will use numerical modelling to produce quantitative estimates of the injected mass, the lifetime of particles in the middle atmosphere (stratosphere) and the relative abundance of the anthropogenic particles with respect to the stratospheric background particle population.

J Lasue↗

Introduction: Photons and Ground-Based

A Conference on Measurement Techniques for Solar and Space Physics was held on 20-24 April 2015 in Boulder, Colorado, at the National Center for Atmospheric Research Center Green Campus. The present volume collects together the conference papers for photons and ground-based categories. This gathering of over 200 scientists and instrumentalists was born out of the desire to collect in one place the latest experiment and instrument technologies required for advancement of scientific knowledge in the disciplines of solar and space physics. The two goals for this conference and the subsequent publication of its content are (a) to describe measurement techniques and technology development needed to advance high priority science in the fields of solar and space physics; and (b) to provide a survey or reference of techniques for in situ measurement and remote sensing of space plasmas. Towards this end, our goal has always been inspired by the two 1998 Geophysical Monographs (Nos. 102 and 103) entitled, "Measurement Techniques in Space Plasmas" (particles and fields) [Pfaff et al., 1998a, 1998b], which have served as a reference and resource for advanced students, engineers, and scientists who wish to learn the fundamentals of measurement techniques and technology in this field. Those monographs were the product of an American Geophysical Union Chapman Conference that took place in Santa Fe, NM, in 1995: "Measurement Techniques in Space Plasmas-What Works, What Doesn't." Two decades later, we believe that it is appropriate to revisit this subject, in light of recent advances in technology, research platforms, and analysis techniques. Moreover, we now include direct measurements of neutral gases in the upper atmosphere, optical imaging techniques, and remote observations in space and on the ground. Accordingly, the workshop was organized among four areas of measurement techniques: particles, fields, photons, and ground-based. This two-set volume is largely composed of the content of that workshop. Special attention is given to those techniques and technologies that demonstrate promise of significant advancement in measurements that will enable the highest priority science as described in the 2012 National Research Council Decadal Survey [Baker and Zurbuchen et al., 2013]. Additionally, a broad tutorial survey of the current technologies is provided to serve as reference material and as a basis from which advanced and innovative ideas can be discussed and pursued. Included are instrumentation and techniques to observe the solar environment from its interior to its outer atmosphere, the heliosphere out to the interstellar regions, in geospace, and other planetary magnetospheres and atmospheres. To make significant progress in priority science as expressed in the National Research Council solar and space physics decadal survey and recent NASA Heliophysics roadmaps, identification of enabling new measurement techniques and technologies to be developed is required. Also, it is valuable to the community and future scientists and engineers to have a complete survey of the techniques and technologies used by the practitioners of solar and space physics. As with the 1995 conference and subsequent 1998 publication, it is incumbent on the community to identify those measurements that are particularly challenging and still require new techniques to be identified and tested to enable the necessary accuracy and resolution of certain parameters to be achieved. The following is a partial list of the measurement technique categories that are featured in these special publications: Particles; Thermal plasma to MeV energetic particles, neutral gas properties including winds, density, temperature, and composition, and enhanced neutral atom imaging; Fields; DC electric and magnetic fields, plasma waves, and electron drift instruments from which the plasma velocity information provides a measure of the DC electric field; Photons; Instruments sensitive from the near-infrared to X-rays; Contributions of techniques and technology for optical design, optical components, sensors, material selection for cameras, telescopes, and spectrographs; Ground based; Remote sensing methods for solar and geospace activity and space weather. The focus includes solar observatories, all-sky cameras, lidars, and ionosphere thermosphere mesosphere observatory systems such as radars, ionosondes, GPS receivers, magnetometers, conjugate observations, and airborne campaigns. The present volume collects together the papers for photons and ground-based categories. The companion volume collects together the papers for particles and fields categories. It is recognized that there are measurement techniques that overlap among the four categories. For example, use of microchannel plate detectors is used in photon and particle measurement techniques or the observation of visible photons and magnetic fields in space and on the ground share common technologies. Therefore, the reader should consider the entire collection of papers as they seek to understand particular applications. We hope that these volumes will be as valuable as a reference for our community as the earlier 1998 volumes have been.

Spann, James↗

Systematic Source Determination and X-Ray Radiography Detection of Nonuniformities on High-Density Carbon Ablators

Recent deuterium-tritium (D-T)–layered implosion experiments at the National Ignition Facility have achieved a burning plasma and >1-MJ neutron yield. A series of repeat experiments have shown that the degree of performance is very likely dependent on capsule quality, including the quantity of what are collectively termed “high- Z particles.” These particles are detected on a custom-built radiography system, known as the Sagometer, during the final target qualification process. The term particles is misleading, as the source of these nonuniformities in the capsule images is uncertain; the term detection will be used instead. An increased number of D-T targets have been rejected at the final stages of production due to Sagometer detections. Late detections are deleterious in terms of loss of production parts, effort, and overall operating efficiency. In response, we undertook an effort to determine the origin of these detections and to ultimately mitigate target losses caused by them. Through careful testing and analysis, we have determined neither insufficient production cleanliness nor hohlraum shedding is responsible for the detections on the capsule. Here, we determined that the detections are inherent to the capsule and have made efforts to use the Zeiss Xradia to identify them earlier in the production process. While testing revealed the Xradia is not currently sufficient for identifying such particles using radiography images, we continue to look to other forms of metrology to down select the capsules early in the process.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Spatiotemporal Plasma-Particle Characterization of Dry Aerosols Using Nanosecond, Femtosecond, and Filament Laser-Produced Plasmas

The ability to rapidly characterize dry aerosols in air using laser-induced breakdown spectroscopy (LIBS) with femtosecond laser pulses promises advancement towards real-time atmospheric sampling and standoff capabilities. Of particular interest is the ability to apply LIBS in the context of low-particle loaded environments where discrete particle interactions must be observed within the sampling volume of the laser-produced plasma (LPP). In this study, dry nanoparticles in suspension are generated from a standard solution and sampled in air using Q-switched nanosecond (ns-) pulses, short-focus (SF) femtosecond (fs-) pulses, and filaments. Short time-gated plasma images are captured to observe spatially and temporally varying discrete plasma-particle interactions, which is shown to influence early air breakdown behavior and subsequent plasma evolution. Along with images, photo-multiplier tube (PMT) measurements are conducted where strong spatiotemporal dependencies are exhibited by the collected emission signal on particle proximity and plasma expansion behavior. Finally, conditional analysis is performed on LIBS measurements to determine associated sampling probabilities and filter out spectra with poor or absent emission peaks with an adaptive threshold algorithm.

42 ENGINEERING↗

Kinetic Simulation and Energetic Neutral Atom Imaging of the Magnetosphere

Advanced simulation tools and measurement techniques have been developed to study the dynamic magnetosphere and its response to drivers in the solar wind. The Comprehensive Ring Current Model (CRCM) is a kinetic code that solves the 3D distribution in space, energy and pitch-angle information of energetic ions and electrons. Energetic Neutral Atom (ENA) imagers have been carried in past and current satellite missions. Global morphology of energetic ions were revealed by the observed ENA images. We have combined simulation and ENA analysis techniques to study the development of ring current ions during magnetic storms and substorms. We identify the timing and location of particle injection and loss. We examine the evolution of ion energy and pitch-angle distribution during different phases of a storm. In this talk we will discuss the findings from our ring current studies and how our simulation and ENA analysis tools can be applied to the upcoming TRIO-CINAMA mission.

Fok, Mei-Ching H.↗

A High Resolution Study of the X-Ray Emission From 3C400.2

The ROSAT HRI observation of 3C400.2 was conducted and the data have been received by the PI. The data have been processed using the Extended Source Analysis SW (ESAS) developed by Steve Snowden for the analysis of extended objects with ROSAT. The ESAS SW models and subtracts the particle background of the ROSAT HRI which is the dominant contributor to the non-cosmic background in the HRI. The background-subtracted image was smoothed with an adaptive-smoothing algorithm in order to enhance faint structure but also to maintain the superb angular resolution of the HRI where a sufficient number of counts were available. We have also used the ESAS SW to analyze the existing archival PSPC data. We have generated background-subtracted and merged images from the multiple PSPC observations. In the future, we will conduct a detailed comparison between the HRI and PSPC images. In addition, we plan to use the existing archival ASCA data to better determine the spectrum as a function of position in the remnant. The PI has not been able to finish the analysis and write the paper due to his demands on his time supporting operations of the Chandra X-ray Observatory. The PI will have more time in the coming year and hopes to finish the analysis.

Plucinsky, Paul↗

Towards Autonomous Experiments by Connecting High Performance Microscopy with High Performance Computing

The digitization of controls, data, and analysis in microscopy is bringing the idea of autonomous microscopes closer to reality than ever before. Automated transmission electron microscopy (TEM) is already fairly routine for some experiments the only require simple repetitive tasks such as imaging biological macromolecules for single particle cryoEM [1], tilt series for electron tomography [2], and movies for crystallography [3]. The vast majority of TEM experiments are conducted completely by human operators who choose the regions of interest, optimize experimental parameters, and make decisions about data quality visually during an experiment. The field is still a long way from having completely autonomous TEMs that can adapt to sample difficulties and tune experimental parameters based on data quality and desired experimental outcomes. Part of the issue is the lack of capability for feeding information learned from on-line, live data analysis back into the on-going experiment [4]. Furthermore, this presentation will discuss current capabilities for large scale data reduction and analysis using high performance computing (i.e. supercomputing) and progress towards developing a true feed-back loop that places data analysis and theory in the experimental loop.

97 MATHEMATICS AND COMPUTING↗

Electrode Mesoscale as a Collection of Particles: Coupled Electrochemical and Mechanical Analysis of NMC Cathodes

Battery electrodes are composed of polydisperse particles and a porous, composite binder domain. These materials are arranged into a complex mesostructure whose morphology impacts both electrochemical performance and mechanical response. We present image-based, particle-resolved, mesoscale finite element model simulations of coupled electrochemical-mechanical performance on a representative NMC electrode domain. Beyond predicting macroscale quantities such as half-cell voltage and evolving electrical conductivity, studying behaviors on a per-particle and per-surface basis enables performance and material design insights previously unachievable. Voltage losses are primarily attributable to a complex interplay between interfacial charge transfer kinetics, lithium diffusion, and, locally, electrical conductivity. Mesoscale heterogeneities arise from particle polydispersity and lead to material underutilization at high current densities. Particle-particle contacts, however, reduce heterogeneities by enabling lithium diffusion between connected particle groups. While the porous composite binder domain (CBD) may have slower ionic transport and less available area for electrochemical reactions, its high electrical conductivity makes it the preferred reaction site late in electrode discharge. Mesoscale results are favorably compared to both experimental data and macrohomogeneous models. This work enables improvements in materials design by providing a tool for optimization of particle sizes, CBD morphology, and manufacturing conditions.

42 ENGINEERING↗

Multi-Tiered Estimation for Correlation Spectroscopy in 3D (MTECS3D) v0.1

This innovative software estimates rotational diffusion coefficients of particles from X-ray photon correlation spectroscopy (XPCS) data of monodispersed particle systems. It is the first method capable of extracting rotational diffusion information from three-dimensional particle systems using XPCS. Using the angular-temporal cross-correlation of the XPCS images, this software is able to estimate the rotational diffusion coefficients with only a few percent relative errors while requiring minimal prior knowledge of particle structures. This software enhances XPCS analysis capabilities, allowing researchers to study translational and rotational Brownian dynamics of particles in suspension across various temporal and spatial scales.

Hu, Zixi↗