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First Annual Report on Pulsed Thermal Tomography Nondestructive Evaluation of Additively Manufactured Reactor Materials and Components: Pulsed Thermal Tomography Nondestructive Examination of Additively Manufactured Reactor Materials and Components

Additive manufacturing (AM, or 3D printing) for commercial nuclear energy applications is an emerging method for cost-efficient manufacturing aimed at replacing aging nuclear reactor parts and reducing costs for new construction. Because of the geometry of metallic structures of interest for nuclear applications, which consist of planar primitives with no symmetry of revolution, limited options are available for nondestructive evaluation (NDE), either during or post manufacturing. Known material flaws in AM include low-density regions consisting of non-sintered powder, which have to be detected to ensure the safety of long-term performance nuclear reactor components. As a solution to NDE of AM, we are developing pulsed thermal tomography (PTT) models and depth inversion algorithms for 3D imaging. PTT has many advantages because the method is non-contact and allows for in-service, NDE of AM nuclear reactor parts. By analyzing transients of surface temperature response due to internal thermal resistances, one can obtain 3D reconstructions of material effusivity using a unique inversion algorithm developed at Argonne. This report provides results of preliminary performance evaluation of PTT capability in detection of flaws in metallic structures, as well imaging complex geometry AM structures. Performance of PTT was investigated through modeling and experiments, Computer models of PTT were developed using COMSOL Heat Transfer module. Defects were modeled as cylindrical flat bottom holes (FBH), which is a common model of calibrated material flaws in thermal tomography experiments. Materials considered in this study include stainless steel 316 (SS316), stainless steel 304 (SS304), and Inconel 718. Theoretical analyses were conducted to validate inversion of simulated PTT data with COMSOL for a plate. Subsequently, 3D reconstructions were performed on COMSOL simulations for FBH, revealing a decrease in spatial resolution over depth due to thermal diffusion. The results of this study show that the performance of the inversion algorithm for detecting smaller defects depends strongly on the depth of the defect as well as the incident heat flux. The size of detectable defect was estimated by fitting a Gaussian function to surface temperature profile. The criteria for detectability was taken as 20mK noise equivalent temperature difference (NETD), which is currently the sensitivity limit of high-performance infrared cameras. It was determined through computer simulations that the smallest detectable FBH in SS316 has a 50µm diameter and is located 0.5mm below the plate surface. Preliminary experimental studies were performed to evaluate PTT performance in detecting calibrated flaws using metallic specimens with AM defects simulated as drilled-in FBH’s. High strength Stainless Steel 316 and Inconel 718 alloys were considered, as well as lower grade Stainless Steel 304, Nickel 200, and Hastelloy C276. Specimens investigated in this report consisted of approximately 1/4in-thick plates made out of these alloys using conventional manufacturing methods. The diameters of FBH’s varied from 1mm to 8mm, and their depths below the plate flat surface varied between 1mm and 6mm. The size of the smallest FBH was limited to 1mm because conventional mechanical drills were used for creating the holes. PTT imaging results have shown that 1mm-diameter FBH located 1mm and 2mm below the surface were detectable. Larger size FBH were detectable at greater depth. For example, 6mm-diameter FBH could be detected at 8mm depth. Image contrast varied slightly between the specimens, with the best reconstructions obtained in SS316 and C276 plates. Finally, PTT capability in imaging several AM structures fabricated from Inconel 718 (IN718) powder feedstock was investigated. The AM structures have complex geometry, but do not have calibrated internal defects. The objective is to determine PTT settings, such as the total integration time, for imaging of representative AM structures. A new FLIR X8500sc IR camera with higher spatial resolution (1280x1024 at 181Hz frame rate) was integrated into the PTT laboratory setup. Software tools were developed to ensure compatibility of new camera files with legacy effusivity reconstruction codes. The new camera was used to obtain 3-D reconstructions of AM IN718 nozzle plate and a particle filter plate. It was shown that PTT can scan through 2/3in-thick Inconel 718 plates in approximately 15s. Several modes of 3-D data visualization were explored, including using ImageJ and MATLAB software packages. The results demonstrate the capability of PTT in 3-D imaging of complex geometry AM structures. Intermediate results demonstrated in this report will be developed further to investigate detection of flaws in AM specimens.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Enhancing Regional Seismic Velocity Models With Higher‐Resolution Local Results Using Sparse Dictionary Learning

Abstract We use sparse dictionary learning to develop transformations between seismic velocity models of different resolution and spatial extent. Starting with data in the common region of both models, the method can enhance a regional lower‐resolution model to match the style and resolution of local higher‐resolution results while preserving its regional coverage. The method is demonstrated by applying it to two‐dimensional V S and three‐dimensional V P and V S regional and local velocity models in southern California. The enhanced reconstructed regional results exhibit clear visual improvements, especially in the reconstructed V P / V S ratios, and better correlations with geological features. Moreover, the reconstructed regional V P , V S models outperform the original ones in comparison of simulated earthquake waveforms to observations. The improved fitting to observed waveforms extends beyond the domain of the overlapping region. The developed dictionary learning approach provides physically interpretable results and offers a powerful tool for additional applications of data enhancement in earth sciences.

Geochemistry & Geophysics↗

Induced microearthquakes predict permeability creation in the brittle crust

Predicting the evolution of permeability accurately during stimulation at the reservoir scale and at the resolution of individual fractures is essential to characterize the fluid transport and the reactive/heat-transfer characteristics of reservoirs where stress exerts significant control. Here, we develop a hybrid machine learning (ML) model to visualize in situ permeability evolution for an intermediate-scale (~10 m) hydraulic stimulation experiment. This model includes an ML model that was trained using the well history of flow rate and wellhead pressure and MEQ data from the first three stimulation episodes to predict average permeability from the statistical features of the MEQs alone for later episodes. Moreover, a physics-inspired model is integrated to estimate in situ fracture permeability spatially. This method relates fracture permeability to fracture dilation and scales dilation to the equivalent MEQ magnitude, according to laboratory observations. The seismic data are then applied to define incremental changes in permeability in both space and time. Our results confirm the excellent agreement between the ground truth and model-predicted permeability evolution. The resulting permeability map defines and quantifies flow paths in the reservoir with the averaged permeability comparing favorably with the ground truth of permeability.

induced seismicity↗

Four-Dimensional Imaging of ZnO-Coated Alumina Aerogels by Scanning Transmission X-ray Microscopy and Ptychographic Tomography

Functional porous materials are of mounting significance in energy conversion and catalysis. Improved analysis is needed to guide optimization. Four-dimensional (4D) imaging [chemical mapping in three-dimensional (3D) by spectro-tomography] of an Al 2 O 3 aerogel coated with ZnO by atomic layer deposition was performed using soft X-ray ptychography at the Zn L-edge. A two-dimensional spatial resolution of 14(2) nm was achieved. Visualizations of the 3D chemical structure are provided. The degree of ZnO coverage of the surface of the Al 2 O 3 aerogel framework in two different samples was estimated and found to be both thicker and less homogeneous than expected. Other analyses of the 4D results, including the degree of contact between Al 2 O 3 and ZnO, were extracted from the reconstructed 3D data. This pioneering soft X-ray spectro-ptycho-tomography research will anchor further studies of functional porous materials.

36 MATERIALS SCIENCE↗

No more active galactic nuclei in clumpy disks than in smooth galaxies at z ∼ 2 in CANDELS/3D-HST

We use CANDELS imaging, 3D-HST spectroscopy, and Chandra X-ray data to investigate if active galactic nuclei (AGNs) are preferentially fueled by violent disk instabilities funneling gas into galaxy centers at 1.3 < z < 2.4. We select galaxies undergoing gravitational instabilities using the number of clumps and degree of patchiness as proxies. The CANDELS visual classification system is used to identify 44 clumpy disk galaxies, along with mass-matched comparison samples of smooth and intermediate morphology galaxies. We note that despite being mass-matched and having similar star formation rates, the smoother galaxies tend to be smaller disks with more prominent bulges compared to the clumpy galaxies. The lack of smooth extended disks is probably a general feature of the z ∼ 2 galaxy population, and means we cannot directly compare with the clumpy and smooth extended disks observed at lower redshift. We find that z ∼ 2 clumpy galaxies have slightly enhanced AGN fractions selected by integrated line ratios (in the mass-excitation method), but the spatially resolved line ratios indicate this is likely due to extended phenomena rather than nuclear AGNs. Meanwhile, the X-ray data show that clumpy, smooth, and intermediate galaxies have nearly indistinguishable AGN fractions derived from both individual detections and stacked non-detections. The data demonstrate that AGN fueling modes at z ∼ 1.85—whether violent disk instabilities or secular processes—are as efficient in smooth galaxies as they are in clumpy galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗

TU-AB-204-00: Advances in Cone-Beam CT and Emerging Applications

This symposium highlights advanced cone-beam CT (CBCT) technologies in four areas of emerging application in diagnostic imaging and image-guided interventions. Each area includes research that extends the spatial, temporal, and/or contrast resolution characteristics of CBCT beyond conventional limits through advances in scanner technology, acquisition protocols, and 3D image reconstruction techniques. Dr. G. Chen (University of Wisconsin) will present on the topic: Advances in C-arm CBCT for Brain Perfusion Imaging. Stroke is a leading cause of death and disability, and a fraction of people having an acute ischemic stroke are suitable candidates for endovascular therapy. Critical factors that affect both the likelihood of successful revascularization and good clinical outcome are: 1) the time between stroke onset and revascularization; and 2) the ability to distinguish patients who have a small volume of irreversibly injured brain (ischemic core) and a large volume of ischemic but salvageable brain (penumbra) from patients with a large ischemic core and little or no penumbra. Therefore, “time is brain” in the care of the stroke patients. C-arm CBCT systems widely available in angiography suites have the potential to generate non-contrast-enhanced CBCT images to exclude the presence of hemorrhage, time-resolved CBCT angiography to evaluate the site of occlusion and collaterals, and CBCT perfusion parametric images to assess the extent of the ischemic core and penumbra, thereby fulfilling the imaging requirements of a “one-stop-shop” in the angiography suite to reduce the time between onset and revascularization therapy. The challenges and opportunities to advance CBCT technology to fully enable the one-stop-shop C-arm CBCT platform for brain imaging will be discussed. Dr. R. Fahrig (Stanford University) will present on the topic: Advances in C-arm CBCT for Cardiac Interventions. With the goal of providing functional information during cardiac interventions, significant effort has been expended to improve the quantitative accuracy of C-arm CBCT reconstructions. The challenge is to improve image quality while providing very short turnaround between data acquisition and volume data visualization. Corrections for x-ray scatter, view aliasing and patient motion that require no more than 2 iterations keep processing time short while reducing artifact. Fast, multi-sweep acquisitions can be used to permit assessment of left ventricular function, and visualization of radiofrequency lesions created to treat arrhythmias. Workflows for each imaging goal have been developed and validated against gold standard clinical CT or histology. The challenges, opportunities, and limitations of the new functional C-arm CBCT imaging techniques will be discussed. Dr. W. Zbijewski (Johns Hopkins University) will present on the topic: Advances in CBCT for Orthopaedics and Bone Health Imaging. Cone-beam CT is particularly well suited for imaging of musculoskeletal extremities. Owing to the high spatial resolution of flat-panel detectors, CBCT can surpass conventional CT in imaging tasks involving bone visualization, quantitative analysis of subchondral trabecular structure, and visualization and monitoring of subtle fractures that are common in orthopedic radiology. A dedicated CBCT platform has been developed that offers flexibility in system design and provides not only a compact configuration with improved logistics for extremities imaging but also enables novel diagnostic capabilities such as imaging of weight-bearing lower extremities in a natural stance. The design, development and clinical performance of dedicated extremities CBCT systems will be presented. Advanced capabilities for quantitative volumetric assessment of joint space morphology, dual-energy image-based quantification of bone composition, and in-vivo analysis of bone microarchitecture will be discussed, along with emerging applications in the diagnosis of arthritis and osteoporosis and assessment of novel therapies. Finally, Dr. J. Boone (UC Davis) will present on the topic: Advances in CBCT for Breast Imaging. Breast CT has been studied as an imaging tool for diagnostic breast evaluation and for potential breast cancer screening. The breast CT application lends itself to CBCT because of the small dimensions of the breast, the tapered shape of the breast towards higher cone angle, and the fact that there are no bones in the breast. The performance of various generations of breast CT scanners developed in recent years will be discussed, focusing on advances in spatial resolution and image noise characteristics. The results will also demonstrate the results of clinical trials using both computer and human observers. Learning Objectives: Understand the challenges, key technological advances, and emerging opportunities of CBCT in: Brain perfusion imaging, including assessment of ischemic stroke Cardiac imaging for functional assessment in cardiac interventions Orthopedics imaging for evaluation of musculoskeletal trauma, arthritis, and osteoporosis Breast imaging for screening and diagnosis of breast cancer. Work presented in this symposium includes research support by: Siemens Healthcare (Dr. Chen); NIH and Siemens Healthcare (Dr. Fahrig); NIH and Carestream Health (Dr. Zbijewski); and NIH (Dr. Boone)

60 APPLIED LIFE SCIENCES↗

Visualizing feedstock siting in biomass production: Tradeoffs between economic and water quality objectives

New domestic, renewable energy resources must be considered to increase energy security in the U.S. Ethanol production through second-generation (cellulosic) feedstocks will help the U.S. meet the legislative Renewable Fuel Standard, which mandates 36 billion gallons of renewable fuels by 2022. Yet, conversion of cropland to meet the cellulosic feedstock production goals may have unforeseen environmental consequences. Here, using Soil Water Assessment Tool (SWAT) outputs and National Agricultural Statistics Service (USDA NASS) economic data, we conducted a spatial optimization of bioenergy feedstock introduction into the Arkansas White-Red River Basin based on water quality and economic objectives, subject to constraints on total land conversion. Results displayed tradeoffs between bioenergy yield for three crops (switchgrass, sorghum and poplar) and land rent objectives. Optimal solutions tended to prioritize conversion of land in eastern AWR subbasins where yield and water quality objective improvements were greatest. A small number of subbasins contributed to basin-wide water quality improvements, whereas subbasins contributing to economic benefits were more spatially dispersed, indicating that water quality responses are more likely to constrain feedstock placement. Biomass production targets can be met vianumerous spatial arrangements, whereas marginal improvement in water quality objectives can best be achieved by selectively siting perennial feedstocks in the eastern half of the region.

09 BIOMASS FUELS↗

Development of low temperature fuel cell holders for Operando x-ray micro and nano computed tomography to visualize water distribution

Abstract Synchrotron x-ray imaging techniques, like x-ray computed tomography (CT) and radiography have proven instrumental in expanding the communities knowledge of complex transport and reaction kinetics in electrochemical devices such as fuel cells and electrolyzers. This work presents the development of novel x-ray CT imaging techniques for operando visualization of water within low temperature fuel cells at spatial resolutions spanning the micro and nano scales. The design of operando sample holders, for both micro x-ray CT and nano CT experiments is described in depth, and prototypes of these sample holders were evaluated across a set of requirements, the most important of which are x-ray transmissibility, electrical conductivity and mechanical stability. Water segmentation from micro x-ray CT data was enabled by an image subtraction method, where the image without water is subtracted from the one with water. Through iterative experimentations, the operando nano CT cell was developed to optimize mechanical compression, electric conductivity and gas flow. While three-dimensional fuel cell reconstructions were shown possible, there remain challenges to overcome at typical lower energies (8 keV) due to beam damage, whereas it is not as significant for higher energies (>17.5 keV).

Kulkarni, Devashish↗

Imaging LIDAR through Fog and Dust for Maritime Surveillance

This work supports Airborne Intelligence, Surveillance, and Reconnaissance (ISR) for tactical situational awareness in challenging environments with modified imaging LIDAR (light detection and ranging). LIDAR produces an irradiance-based scene with high, three-dimensional, spatial resolution; differentiating reflecting surfaces and surface textures not just for target detection, but also target recognition. LIDAR is generally prevented from working through all weather; as the traditional source wavelengths are scattered and/or absorbed by fog, clouds, and dust known as degraded visual environments (DVEs). This work identifies and quantifies improved optical wavelength regimes and polarization strategies that should open this otherwise denied operating window for LIDAR. We demonstrate modified imaging LIDAR's utility and ability to produce images in environments that have been challenging for traditional LIDAR (fog, dust) systems. We utilize a state-of-the-art Geiger mode avalanche photodiode (GMAPD) 32X32 detecting array for imaging with an integrated fast timing circuit ROIC per imaging detector pixel. This GMAPD is equivalent to 1024 radar receivers and produces a 3-D point cloud scene for each <lnsec laser interrogation pulse. Through this work, we have demonstrated Sandia's first imaging LIDAR system. We developed significant software to scan the GMAPD array, control data acquisition, and stitch an arbitrary number of images for greater lateral spatial resolution. We designed and built an optical system to evaluate performance, in the laboratory and in field tests, and relate to the performance at tactically important distances. Our use of this system is to study and characterize techniques that extend the range of useful imaging through fog for applications in a maritime environment. We quantify, with simulations, broad wavelength regimes and illuminating polarizations that have benefit in propagating through fog. In particular, we identify circular polarization over broad wavebands as a superior persisting signal technique in extending the useful range of active LIDAR in forward-scattering environments. Finally, we characterize the performance of our LIDAR system and confirm our theoretical predictions in the field and directly evaluate this system as a function of polarization in Sandia's medium-range Fog Tunnel Facility. This technology has potential impacts in improved ISR in maritime environments, but with further development could be revolutionary in tactical ISR by providing real-time three-dimensional full motion video (3D FMV) in DVEs.

47 OTHER INSTRUMENTATION↗

TU-H-206-01: An Automated Approach for Identifying Geometric Distortions in Gamma Cameras

Purpose: To develop a clinically-deployable, automated process for detecting artifacts in routine nuclear medicine (NM) quality assurance (QA) bar phantom images. Methods: An artifact detection algorithm was created to analyze bar phantom images as part of an ongoing QA program. A low noise, high resolution reference image was acquired from an x-ray of the bar phantom with a Philips Digital Diagnost system utilizing image stitching. NM bar images, acquired for 5 million counts over a 512×512 matrix, were registered to the template image by maximizing mutual information (MI). The MI index was used as an initial test for artifacts; low values indicate an overall presence of distortions regardless of their spatial location. Images with low MI scores were further analyzed for bar linearity, periodicity, alignment, and compression to locate differences with respect to the template. Findings from each test were spatially correlated and locations failing multiple tests were flagged as potential artifacts requiring additional visual analysis. The algorithm was initially deployed for GE Discovery 670 and Infinia Hawkeye gamma cameras. Results: The algorithm successfully identified clinically relevant artifacts from both systems previously unnoticed by technologists performing the QA. Average MI indices for artifact-free images are 0.55. Images with MI indices < 0.50 have shown 100% sensitivity and specificity for artifact detection when compared with a thorough visual analysis. Correlation of geometric tests confirms the ability to spatially locate the most likely image regions containing an artifact regardless of initial phantom orientation. Conclusion: The algorithm shows the potential to detect gamma camera artifacts that may be missed by routine technologist inspections. Detection and subsequent correction of artifacts ensures maximum image quality and may help to identify failing hardware before it impacts clinical workflow. Going forward, the algorithm is being deployed to monitor data from all gamma cameras within our health system.

60 APPLIED LIFE SCIENCES↗

Reconciling satellite aerosol optical thickness and surface fine particle mass through aerosol liquid water

Summertime aerosol optical thickness (AOT) over the southeast U.S. is sharply enhanced over wintertime values. This seasonal pattern is unique and of particular interest because temperatures there have not warmed over the past 100 years. Patterns in surface fine particle mass are inconsistent with satellite reported AOT. In this work, we attempt to reconcile the spatial and temporal distribution of AOT over the U.S. with particle mass measurements at the surface by examining trends in aerosol liquid water (ALW), a particle constituent that scatters radiation and affects satellite AOT but is removed in mass measurements at routine surface monitoring sites. Herein, we employ the thermodynamic model ISORROPIAv2.1 to estimate ALW mass concentrations at Interagency Monitoring of PROtected Visual Environments sites using measured ion mass concentrations and North American Regional Reanalysis meteorological data. Excellent agreement between Cloud-Aerosol Lidar and Infrared Pathfinder Satellite Observations AOT and estimated ALW provides a plausible explanation for the discrepancies in the geographical patterns of AOT and aerosol mass measurements.

54 ENVIRONMENTAL SCIENCES↗

Grain Size Variations in the Murray Formation: Stratigraphic Evidence for Changing Depositional Environments in Gale Crater, Mars

The lowermost exposure of the Murray formation in Gale crater, Mars, was interpreted as sediment deposited in an ancient lake based on data collected by the Curiosity rover. Constraining the stratigraphic extent and duration of this environment has important implications for the paleohydrology of Gale. Insights into early Martian environments and paleofluid flow velocity can be obtained from grain size in rocks. Visual inspection of grain size is not always available for rocks investigated at field sites on Mars due to limited image coverage. But grain sizes can also be estimated from the Gini Index Mean Score, a grain-size proxy that uses point-to-point chemical variations in ChemCam Laser Induced Breakdown Spectroscopy data. Here, new Gini Index Mean Score results indicate that the Murray formation is dominated by mudstones with grains smaller than the spatial resolution of all rover cameras. Intervals of fine to coarse sandstone also are present, some of which are verified using observations of grain size and sedimentary structures in associated images. Overall, results demonstrate that most of the Murray consists of mudstone, suggesting settling of grains from suspension in low energy depositional environments such as lakes. Some of the mudstones contain desiccation cracks indicating periods of drying with a lowering of lake water level. However, beds and lenses of cross-bedded sandstones are common at specific intervals, suggesting episodes of fluvial and possibly eolian deposition. The persistence of lacustrine deposits interspersed with fluvial deposits suggests that liquid water was sustained on the Martian surface for tens of thousands to millions of years.

58 GEOSCIENCES↗

Elucidating a dissolution–deposition reaction mechanism by multimodal synchrotron X-ray characterization in aqueous Zn/MnO 2 batteries

Aqueous Zn/MnO 2 batteries with their environmental sustainability and competitive cost, are becoming a promising, safe alternative for grid-scale electrochemical energy storage. Here, presented as a promising design principle to deliver a higher theoretical capacity, this work offers fundamental understanding of the dissolution–deposition mechanism of Zn/β-MnO 2 . A multimodal synchrotron characterization approach including three operando X-ray techniques (powder diffraction, absorption spectroscopy, and fluorescence microscopy) is coupled with elementally resolved synchrotron X-ray nano-tomography. Together they provide a direct correlation between structural evolution, reaction chemistry, and 3D morphological changes. Operando synchrotron X-ray diffraction and spectroscopy show a crystalline-to-amorphous phase transition. Quantitative modeling of the operando data by Rietveld refinement for X-ray diffraction and multivariate curve resolution (MCR) for X-ray absorption spectroscopy are used in a complementary fashion to track the structural and chemical transitions of both the long-range (crystalline phases) and short-range (including amorphous phases) ordering upon cycling. Scanning X-ray microscopy and full-field nano-tomography visualizes the morphology of electrodes at different electrochemical states with elemental sensitivity to spatially resolve the formation of the Zn- and Mn-containing phases. Overall, this work critically indicates that for Zn/MnO 2 aqueous batteries, the reaction pathways involving Zn–Mn complex formation upon cycling become independent of the polymorphs of the initial electrode and sheds light on the interplay among structural, chemical, and morphological evolution for electrochemically driven phase transitions.

36 MATERIALS SCIENCE↗

Immersive Analytics in Critical Spatial Domains: From Materials to Energy Systems

Immersive analytics (IA) leverages virtual reality, augmented reality, and mixed reality to transform how users interact with complex datasets across domains such as science, industry, and education. These immersive technologies offer spatial and multimodal environments that foster intuitive exploration, but they also introduce challenges related to cognitive load, interface design, and system performance. Here, this article presents a comprehensive review of visualization techniques, interaction models, and multimodal inputs utilized in IA. Drawing on case studies in scientific visualization, industrial training, and educational communication, we examine both the potential and limitations of current systems. Finally, we propose future research directions, focusing on real‐time collaboration, adaptive user interfaces, and scalable data exploration strategies to advance the field.

99 - GENERAL AND MISCELLANEOUS↗

Assessment of the importance of spatial scale in long-term land use modelling of the Midwestern United States

The purpose of this study is to assess the value of enhanced spatial resolution in the agriculture and land use component of an integrated assessment model. While these models have historically represented land use decisions at the scale of geopolitical regions, the present generation uses regions defined by climatic or environmental characteristics, to better represent the spatial heterogeneity of land productivity and potential uses. However, increasing a model’s spatial resolution incurs costs, including input data processing, structural modifications, increased run time, and increased complexity of results. This study uses the Global Change Assessment Model (GCAM) to analyze land use in the Midwestern United States in three levels of sub-regional aggregation and three scenarios of future climate mitigation. We demonstrate benefits of enhanced spatial resolution, and to facilitate the assessment of higher resolution model output we apply non-metric multidimensional scaling on a pair-wise distance matrix for visualization and analysis.

54 ENVIRONMENTAL SCIENCES↗

A Polycrystalline Pd Surface Studied by Two-Dimensional Surface Optical Reflectance during CO Oxidation: Bridging the Materials Gap

Industrial catalysts are complex materials systems operating in harsh environments. The active parts of the catalysts are nanoparticles that expose different facets with different surface orientations at which the catalytic reactions occur. However, these facets are close to impossible to study in detail under industrially relevant operating conditions. Instead, simpler model systems, such as single crystals with a well-defined surface orientation, have been successfully used to study gas–surface interactions such as adsorption and desorption, surface oxidation, and oxidation/reduction reactions. To more closely mimic the many facets exhibited by nanoparticles and thereby close the so-called materials gap, there has also been a recent move toward using polycrystalline surfaces and curved crystals. However, these studies are limited either by the pressure or spatial resolution at realistic pressures or by the number of surfaces studied simultaneously. In this work, we demonstrate the use of reflectance microscopy to study a vast number of catalytically active surfaces simultaneously under realistic and identical reaction conditions. As a proof of concept, we have conducted an operando experiment to study CO oxidation over a Pd polycrystal, where the polycrystalline surface acts as a collection of many single-crystal surfaces. Finally, we visualized the resulting data by plotting the reflectivity as a function of surface orientation. We think the techniques and visualization methods introduced in this work will be key toward bridging the materials gap in catalysis.

36 MATERIALS SCIENCE↗

XRIPL

XRIPL is a library of tools for processing x-ray radiographs and extracting contours of interest within the image using computer vision techniques. Features include spatial calibration, denoising, background and attenuation correction through pseudo-flatfielding, watershed segmentation, contour processing, and visualization. The details of the XRIPL analysis pipeline are published in the Proceedings of the 23rd Topical Conference on High-Temperature Plasma Diagnostics Proceedings (LA-UR-20-30133) [1]. [1] P. M. Kozlowski, Y. Kim, B. M. Haines, H. F. Robey, T. J. Murphy, H. M. Johns, and T. S. Perry. Use of Computer Vision for analysis of image data sets from high temperature plasma experiments. Review of Scientific Instruments 92, 033532 (2021) https://doi.org/10.1063/5.0040285

Kozlowski, Pawel↗

Rotation-as-fast-axis scanning-probe x-ray tomography: the importance of angular diversity for fly-scan modes

Here, we investigate the effects of angular diversity on image-reconstruction quality of scanning-probe x-ray tomography for both fly- and step-mode data collection. We propose probe-coverage maps as a tool for both visualizing and quantifying the distribution of probe interactions with the object. We show that data sampling with more angular diversity yields better tomographic image reconstruction as long as it does not come at the cost of not covering some voxels in the object. Therefore, for fly-mode data collection, rotation-as-fast-axis (RAFA) trajectories are superior to raster or other non-RAFA trajectories because they allow for the increasing of angular diversity without sacrificing spatial coverage uniformity. In contrast, for step-mode data collection and a fixed measurement budget, increasing angular diversity can come at the cost of not covering some voxels, and may not be desired. This study has implications for how scanning-probe microscopes should be collecting data in order to make the most of limited resources.

47 OTHER INSTRUMENTATION↗