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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,189 records · Page 66
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Enabling rapid X-ray CT characterisation for additive manufacturing using CAD models and deep learning-based reconstruction

Metal additive manufacturing (AM) offers flexibility and cost-effectiveness for printing complex parts but is limited to few alloys. Qualifying new alloys requires process parameter optimisation to produce consistent, high-quality components. High-resolution X-ray computed tomography (XCT) has not been effective for this task due to artifacts, slow scan speed, and costs. We propose a deep learning-based approach for rapid XCT acquisition and reconstruction of metal AM parts, leveraging computer-aided design models and physics-based simulations of nonlinear interactions between X-ray radiation and metals. This significantly reduces beam hardening and common XCT artifacts. We demonstrate high-throughput characterisation of over a hundred AlCe alloy components, quantifying improvements in characterisation time and quality compared to high-resolution microscopy and pycnometry. Our approach facilitates investigating the impact of process parameters and their geometry dependence in metal AM.

36 MATERIALS SCIENCE↗
DOE OSTI2022

ORNL Neutron Cross Section Measurements of 90 Zr

Nuclear criticality modeling and simulations rely on the quality of the existing evaluated nuclear data libraries such as Evaluated Nuclear Data File (ENDF)/B, the Joint Evaluated Fission and Fusion (JEFF) nuclear data library, or the Japanese Evaluated Nuclear Data Library (JENDL). In some cases, the cross-section evaluations of those libraries were found to be deficient in describing criticality benchmarks accurately. More than two decades ago, the US Nuclear Criticality Safety Program (NCSP) established a Nuclear Data (ND) task which encompassed experiments and evaluations. In response to this, the Oak Ridge National Laboratory (ORNL) formed a Nuclear Criticality and Data group which performed ND experiments, data analysis, and evaluations to produce ENDF files for the ND libraries as identified in the NCSP Five-Year Plan. Before being submitted to the ENDF library, files were processed and tested for performance by running benchmark calculations. This procedure was centralized in the ORNL group and is now often referred to as the ND pipeline. NCSP collaborates with the Joint Research Center (JRC) of the European Commission in Geel, Belgium, to perform high-resolution neutron-induced cross section measurements at the Geel Linear Accelerator (GELINA). The objective is to address emerging ND problems in criticality calculations. Difficulties with ND include insufficient neutron energy range, missing covariances, and previously unrecognized inaccuracies with experiments. New neutron total and capture cross sections of 90 Zr in the neutron energy range from 100 eV to several hundred keV were recently performed. These measured data will be used, together with existing high-resolution transmission data from a metallic 90 Zr sample, to improve representation of the cross sections.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Erosion-Corrosion Detection in Carbon Steel Pipe Loops using SRNLs Thickness and Mass Loss Measurement Coupons - 20464

Structural health of waste transfer infrastructure is of utmost importance to DOE and communities surrounding their active sites. A Fitness-for-Service (FFS) program for the Waste Transfer System has been implemented by the US Department of Energy (DOE) for the purposes of evaluating and quantifying the degradation of critical components. Currently, the method of approach is to section and evaluate pipelines that have been removed at end service. In order to augment data collection methods applied to making lifespan estimates of waste transfer system components, Florida International University (FIU) has been investigating new-technology based strategies for quantifying the rate of degradation. Present research considers the option of a coupon system installed on a section of pipe at points of interest that will provide easy access to high resolution measurements of erosion/corrosion rates during operation. Researchers at Savannah River National Laboratory (SRNL) have developed this novel solution for in situ erosion and corrosion measurements in many applicable locations such as tanks, pipes, ducts, and injection points. The coupons are approximately 12.7 mm (1/2 inch) in diameter and 25.4 mm (1 inch) in length and can be placed in the pipe sections using Swagelok compression fittings. The coupon design allows for monitoring of the total degradation resulting from corrosion and erosion. High-resolution Ultrasonic Thickness (UT) testing allows in-situ monitoring of both degradation mechanisms. When removed from the system mass loss resulting from corrosion and erosion may also be evaluated. Experimental testing at FIU implemented the SRNL coupon system in a 6.10 meter (20 foot) pipe loop system comprised of 50.8 mm (2 inch) and 76.2 mm (3 inch) pipe sections in order to replicate expected use cases at the sites. Operational conditions were emulated by pumping abrasive materials through the pipeline at full capacity and collecting measurements from the SRNL coupons. Initial testing was conducted by circulating water followed by a mixture of sand and water for uniform wear rates. Thickness changes and mass loss were measured, and the surface exposed to the process fluid was observed for visual evidence of characteristic wear patterns resulting from an erosive environment. The test matrix consisted of several hours of operation and using fine, medium and coarse grain sands. Test results were analyzed to check for all three parameters (mass loss/gain, thickness change and surface patters) which could provide estimates of the remaining useful life of the pipe sections. Thus, the research presents the findings of this evaluation of the SRNL coupons as a means for conducting high accuracy, cost effective in-situ analysis of pipeline and waste transfer systems for erosion and corrosion susceptibility. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

The Influence of Soil Properties on Sea-Breeze Circulations in the Southeast U.S.

Sea-breeze circulations (SBCs) are common weather phenomena at and near coastal regions. They form because of a thermal gradient between the land surface at the coast and the sea surface. In a mid-day regime, a “thermal low” generated at the warm coast will lead to rising air motion, creating a wind shift coming from the sea near the surface displacing the coastal air. A “return flow” moving back towards the sea is generated by upper-level divergence because of the rising motion from the thermal low. SBCs propagate and serve as a method of urban pollutant dispersion in the Los Angeles region of California and are constrained to the coast due to the topography of surrounding mountains serving as a boundary for further inland propagation. Within the northeast U.S. SBCs are seen in the warm season but tend to remain coastally bound due to Coriolis distortion over long distances. Within the southeast U.S. (SEUS), the paradigmatic example of SBCs occurs over the Florida peninsula, where thunderstorms form on a nearly daily occurrence due to the convergence of SBCs from the east and west sides of the peninsula. However, there are further examples of sea-breezes in the SEUS that warrant study. Within the region bordering the SEUS and the Mid-Atlantic, just east of the southern Appalachian Mountains, warm-season SBCs form at the coast of Georgia and the Carolinas. Relatively flat topography ~150-200km inland allows for mostly unimpeded inland SBC propagation. Through visual analysis, Viner et al. catalogued several SBCs that propagated as far inland as the Central Savannah River Area surrounding Augusta, Georgia. Wermter et al. found that while the land-sea thermal gradient at the coast can influence coastal SBC genesis, the inland-coastal thermal gradient over the land is the primary influencer on the speed and depth of inland propagation of SBCs in this region. Additionally, soil moisture itself is a known correlative factor to sea-breeze formation, as it influences the soil temperature and the thermal gradient needed for SBC genesis and inland penetration. Physick determined that higher latent heat fluxes associated with wetter soil dampen the land-sea thermal gradient and suppress the formation of a SBC. Physick determined that higher latent heat fluxes associated with wetter soil dampen the land-sea thermal gradient and suppress the formation of a SBC. Conversely, drier soil enhances the thermal gradient and promotes SBC formation. However, while there is an inverse relationship between soil moisture and SBCs, higher soil moisture can actually promote more convective rainfall following a SBC if it does not significantly impact the thermal gradient. While the relationship between soil moisture and SBC formation has been conceptually explored and modeled numerically, there is a research gap in observed connections. The Soil Moisture Active Passive (SMAP) satellite mission has been operational since 2015 and has been used to create high-resolution re-analytical Level 4 (L4) datasets of soil moisture and soil temperature at different soil depths: the surface (0-5cm) and rootzone (0-1m). The surface soil temperature effectively acts as the “skin temperature” of the surface at these levels, and a spatial map of the land-sea as well as the coastal-inland thermal gradients can be represented. SMAP data are also assimilated in some atmospheric models such at the High Resolution Rapid Refresh (HRRR) mesoscale model. We propose leveraging the use of SMAP products to fill in spatial gaps left by weather and mesonet stations within the SEUS region, as well as assessing the effectiveness of utilizing SMAP products towards SBC forecasting in both deterministic and machine learning (ML) models.

58 GEOSCIENCES↗
DOE OSTI2021

Hydrogen bonded trimesic acid networks on Cu(111) reveal how basic chemical properties are imprinted in HR-AFM images

High resolution non-contact atomic force microscopy measurements characterize assemblies of trimesic acid molecules on Cu(111) and the link group interactions, providing the first fingerprints utilizing CO-based probes for this widely studied paradigm for hydrogen bond driven molecular self assembly. The enhanced submolecular resolution offered by this technique uniquely reveals key aspects of the competing interactions. Accurate comparison between full-density-based modeled images and experiment allows to identify key structural elements in the assembly in terms of the electron-withdrawing character of the carboxylic groups, interactions of those groups with Cu atoms in the surface, and the valence electron density in the intermolecular region of the hydrogen bonds. This study of trimesic acid assemblies on Cu(111) combining high resolution atomic force microscopy measurements with theory and simulation forges clear connections between fundamental chemical properties of molecules and key features imprinted in force images with submolecular resolution.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

The N‐terminal intrinsically disordered region of Ncb5or docks with the cytochrome b 5 core to form a helical motif that is of ancient origin

Abstract NADH cytochromeb 5 oxidoreductase (Ncb5or) is a cytosolic ferric reductase implicated in diabetes and neurological conditions. Ncb5or comprises cytochromeb 5 (b 5 ) and cytochromeb 5 reductase (b 5 R) domains separated by a CHORD‐Sgt1 (CS) linker domain. Ncb5or redox activity depends on proper inter‐domain interactions to mediate electron transfer from NADH or NADPH via FAD to heme. While full‐length human Ncb5or has proven resistant to crystallization, we have succeeded in obtaining high‐resolution atomic structures of theb 5 domain and a construct containing the CS andb 5 R domains (CS/b 5 R). Ncb5or also contains an N‐terminal intrinsically disordered region of 50 residues that has no homologs in other protein families in animals but features a distinctive, conserved L 34 MDWIRL 40 motif also present in reduced lateral root formation (RLF) protein in rice and increased recombination center 21 in baker's yeast, all attaching to ab 5 domain. After unsuccessful attempts at crystallizing a human Ncb5or construct comprising the N‐terminal region naturally fused to theb 5 domain, we were able to obtain a high‐resolution atomic structure of a recombinant rice RLF construct corresponding to residues 25–129 of human Ncb5or (52% sequence identity; 74% similarity). The structure reveals Trp 120 (corresponding to invariant Trp 37 in Ncb5or) to be part of an 11‐residue α‐helix (S 116 QMDWLKLTRT 126 ) packing against two of the four helices in theb 5 domain that surround heme (α2 and α5). The Trp 120 side chain forms a network of interactions with the side chains of four highly conserved residues corresponding to Tyr 85 and Tyr 88 (α2), Cys 124 (α5), and Leu 47 in Ncb5or. Circular dichroism measurements of human Ncb5or fragments further support a key role of Trp 37 in nucleating the formation of the N‐terminal helix, whose location in the N/b 5 module suggests a role in regulating the function of this multi‐domain redox enzyme. This study revealed for the first time an ancient origin of a helical motif in the N/b 5 module as reflected by its existence in a class of cytochromeb 5 proteins from three kingdoms among eukaryotes.

Biochemistry & Molecular Biology↗
DOE OSTI2025

Polarization Switching on the Open Surfaces of the Wurtzite Ferroelectric Nitrides: Ferroelectric Subsystems and Electrochemical Reactivity

Binary ferroelectric nitrides are promising materials for information technologies and power electronics. However, polarization switching in these materials is highly unusual. From the structural perspective, polarization reversal is associated with the change of the effective polarity at the surfaces and interfaces from N‐to‐M terminated, suggesting strong coupling between ferroelectric and chemical phenomena. Phenomenologically, macroscopic studies demonstrate the presence of complex time dependent phenomena including wake‐up. Here, in this study, the polarization switching using the multidimensional high‐resolution piezoresponse force microscopy (PFM) and spectroscopy is explored, detecting both the evolution of induced ferroelectric domain, electromechanical response, and surface deformation during first‐order reversal curve measurements. The presence of two weakly coupled ferroelectric subsystems are demonstrated and the bias‐induced electrochemical reactivity. The observed behaviors are very similar to the recent studies of other wurtzite system but additionally include electrochemical reactivity, suggesting the universality of these behaviors for the wurtzite binary ferroelectrics. These studies suggest potential of high‐resolution multimodal PFM spectroscopies to resolve complex coupled polarization dynamics in materials. Furthermore, these PFM based studies are fully consistent with the recent electron microscopy observations of the shark‐teeth like ferroelectric domains in nitrides. Hence, it is believed that these studies establish the universal phenomenological picture of polarization switching in binary wurtzite.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Primary Velocity and Orbital Phase Effects on Planetary Detectability from Small Epoch Number Data Sets

Cross-correlation analyses of high-resolution spectroscopic data have recently shown great success in directly detecting planetary signals and enabling the characterization of their atmospheres. One such technique aims to observe a system at multiple epochs and combine the measured planetary radial velocities from each epoch into a measurement of the planetary Keplerian orbital velocity K {sub p}, constituting a direct detection of the planetary signal. Recent work has shown that in few-epoch (∼5) data sets, unintended structure can arise at a high level, obscuring the planetary detection. In this work, we look to simulations to examine whether there are ways to reduce this structured noise in few-epoch data sets by careful planning of observations. The choice of observation date allows observers to select the primary (stellar) velocity through a set systemic velocity and chosen barycentric velocity and the planetary orbital phase so we focus on the effects of these two parameters. We find that epochs taken when the primary velocity is near zero and the stellar lines remain relatively fixed to the telluric rest-frame greatly reduce the level of structured noise and allow for much stronger planetary detections, on average more than twice the significance of detections made with epochs using randomly selected primary velocities. Following these results, we recommend that observers looking to build up high-resolution multi-epoch data sets target nights when their system has a near-zero primary velocity.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Spatially Resolved Performance Analysis for Perovskite Solar Cells

This review explores the current state of the art in spatially resolved characterization of mixed-halide perovskite solar cells. As the size of perovskite cells and modules continues to grow, quantification of the spatial distribution of key cell parameters will become increasingly valuable in predicting ultimate cell-level performance and tracking process homogeneity. Here, both high resolution microscopic approaches using scanning techniques and camera-based methods for full-area cell and/or module analysis are discussed. The value of this local data in predicting performance losses at the cell level is particularly emphasized. Measurable physical parameters sensitive to losses of voltage, current, fill factor, and efficiency are discussed together with selected experimental results. It is demonstrated that a combination of spatially resolved cell parameter mapping/imaging can be used to quantitatively discriminate various loss contributions at high resolution. The impact and control of inhomogeneities become particularly important when upscaling from small devices to large formats compatible with industrial mass production.

14 SOLAR ENERGY↗
DOE OSTI2021

NanoSIP: NanoSIMS Applications for Microbial Biology

High-resolution imaging with secondary ion mass spectrometry (nanoSIMS) has become a standard method in systems biology and environmental biogeochemistry and is broadly used to decipher ecophysiological traits of environmental microorganisms, metabolic processes in plant and animal tissues, and cross-kingdom symbioses. When combined with stable isotope-labeling—an approach we refer to as nanoSIP—nanoSIMS imaging offers a distinctive means to quantify net assimilation rates and stoichiometry of individual cell-sized particles in both low- and high-complexity environments. While the majority of nanoSIP studies in environmental and microbial biology have focused on nitrogen and carbon metabolism (using 15 N and 13 C tracers), multiple advances have pushed the capabilities of this approach in the past decade. The development of a high-brightness oxygen ion source has enabled high-resolution metal analyses that are easier to perform, allowing quantification of metal distribution in cells and environmental particles. New preparation methods, tools for automated data extraction from large data sets, and analytical approaches that push the limits of sensitivity and spatial resolution have allowed for more robust characterization of populations ranging from marine archaea to fungi and viruses. Further, NanoSIMS studies continue to be enhanced by correlation with orthogonal imaging and ‘omics approaches; when linked to molecular visualization methods, such as in situ hybridization and antibody labeling, these techniques enable in situ function to be linked to microbial identity and gene expression. Here we present an updated description of the primary materials, methods, and calculations used for nanoSIP, with an emphasis on recent advances in nanoSIMS applications, key methodological steps, and potential pitfalls.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2024

Architecture for Web-Based Visualization of Large-Scale Energy Domains: Preprint

With the growing penetration of inverter-based distributed energy resources and increased loads through electrification, power systems analyses are becoming more important and more complex. Moreover, these analyses increasingly involve the combination of interconnected energy domains with data that are spatially and temporally increasing in scale by orders of magnitude, surpassing the capabilities of many existing analysis and decision-support systems. We present the architectural design, development, and application of a high-resolution web-based visualization environment capable of cross-domain analysis of tens of millions of energy assets, focusing on scalability and performance. Our system supports the exploration, navigation, and analysis of large data from diverse domains such as electrical transmission and distribution systems, mobility and electric vehicle charging networks, communications networks, cyber assets, and other supporting infrastructure. We evaluate this system across multiple use cases, describing the capabilities and limitations of a web-based approach for high-resolution energy system visualizations.

grid modernization↗
DOE OSTI2021

Comparison of Observations and Predictions of Daytime Planetary-Boundary-Layer Heights and Surface Meteorological Variables in the Columbia River Gorge and Basin During the Second Wind Forecast Improvement Project

The second Wind Forecast Improvement Project (WFIP2) is an 18-month field campaign in the Pacific Northwest U.S.A., whose goal is to improve the accuracy of numerical-weather-prediction forecasts in complex terrain. The WFIP2 campaign involved the deployment of a large suite of in situ and remote sensing instrumentation, including eight 915-MHz wind-profiling radars, and surface meteorological stations. The evolution and annual variability of the daytime convective planetary-boundary-layer (PBL) height is investigated using the wind-profiling radars. Three models with different horizontal grid spacing are evaluated: the Rapid Refresh, the High-Resolution Rapid Refresh, and its nested version. The results are used to assess errors in the prediction of PBL height within the experimental and control versions of the models, with the experimental versions including changes and additions to the model parametrizations developed during the field campaign, and the control version using the parametrizations present in the National Oceanic and Atmospheric Administration/National Centers for Environmental Prediction operational version of the models at the start of the project. Results show that the high-resolution models outperform the low-resolution versions, the experimental versions perform better compared with the control versions, model PBL height estimations are more accurate on cloud-free days, and model estimates of the PBL height growth rate are more accurate than model estimates of the rate of decay. Finally, using surface sensors, we assess surface meteorological variables, finding improved surface irradiance and, to a lesser extent, improved 2-m temperature in the experimental version of the model.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Evaluating the WFIP2 updates to the HRRR model using scanning Doppler lidar measurements in the complex terrain of the Columbia River Basin

The wind-energy (WE) industry relies on numerical weather prediction (NWP) forecast models as foundational or base models for many purposes, including wind-resource assessment and wind-power forecasting. During the Second Wind Forecast Improvement Project (WFIP2) in the Columbia River Basin of Oregon and Washington, a significant effort was made to improve NWP forecasts through focused model development, to include experimental refinements to the High Resolution Rapid Refresh (HRRR) model physics and horizontal grid spacing. In this study, the performance of an experimental version of HRRR that includes these refinements is tested against a control version, which corresponds to that of the operational HRRR run by National Oceanic and Atmospheric Administration/National Centers for Environmental Protection at the outset of WFIP2. Furthermore, the effects of horizontal grid resolution were also tested by comparing wind forecasts from the HRRR (with 3-km grid spacing) with those from a finer-resolution HRRR nest with 750-m grid spacing. Model forecasts are validated against accurate wind-profile measurements by three scanning, pulsed Doppler lidars at sites separated by a total distance of 71 km. Model skill and improvements in model skill, attributable to physics refinements and improved horizontal grid resolution, varied by season, by site, and during periods of atmospheric phenomena relevant to WE. In general, model errors were the largest below 150 m above ground level (AGL). Experimental HRRR refinements tended to reduce the mean absolute error (MAE) and other error metrics for many conditions, but degradation in skill (increased MAE) was noted below 150 m AGL at the two lowest-elevation sites at night. Finer resolution was found to produce the most significant reductions in the error metrics.

17 WIND ENERGY↗
DOE OSTI2024

Using Median Point in Keeling Plot to Reduce the Uncertainty of the Isotopic Composition of Evapotranspiration

Abstract The isotopic composition of evapotranspirationδ ET is a crucial parameter in isotope-based evapotranspiration (ET) partitioning and moisture recycling studies. The Keeling plot method is the most prevalent method to calculateδ ET , though it contains large extrapolated uncertainties from the least squares regression. Traditional Keeling regression uses the mean point of individual measurements. Here, a modified Keeling plot framework was proposed using the median point of individual measurements. We tested theδ ET uncertainty using the mean point [σ ET (mean)] and median point [σ ET (median)]. Multiple resolutions of input and output data from six independent sites were used to test the performance of the two methods. Theσ ET (mean) would be greater thanσ ET (median) when the mean value of inverse vapor concentration () is greater than the median value of inverse vapor concentration []. When applying the filter ofr 2 > 0.8, around 70% ofσ ET (mean) was greater thanσ ET (median). This phenomenon might be due to the normality of the vapor concentrationC υ producing the asymmetric distribution of 1/C υ . The median method could perform significantly better than the mean method when inputting high-resolution measurements (e.g., 1 Hz) and when the water vapor concentrationC υ is relatively low. Compared to the mean method, applying the median method could on average reduce 6.88% of ET partitioning uncertainties and could on average reduce 9.00% of moisture recycling uncertainties. This study provided a new insight of the Keeling plot method and emphasized handling model output uncertainty from multiple perspectives instead of only from input parameters.

Meteorology & Atmospheric Sciences↗
DOE OSTI2024

The XRISM first-light observation: Velocity structure and thermal properties of the supernova remnant N 132D

Abstract We present an initial analysis of the X-Ray Imaging and Spectroscopy Mission (XRISM) first-light observation of the supernova remnant (SNR) N 132D in the Large Magellanic Cloud. The Resolve microcalorimeter has obtained the first high-resolution spectrum in the 1.6–10 keV band, which contains K-shell emission lines of Si, S, Ar, Ca, and Fe. We find that the Si and S lines are relatively narrow, with a broadening represented by a Gaussian-like velocity dispersion of $\sigma _v \sim 450$ km s$^{-1}$. However, the Fe He$\alpha$ lines are substantially broadened with $\sigma _v \sim 1670$ km s$^{-1}$. This broadening can be explained by a combination of the thermal Doppler effect due to the high ion temperature and the kinematic Doppler effect due to the SNR expansion. Assuming that the Fe He$\alpha$ emission originates predominantly from the supernova ejecta, we estimate the reverse shock velocity at the time when the bulk of the Fe ejecta were shock heated to be $-1000 \lesssim V_{\rm rs}$ (km s$^{-1}$) $\lesssim 3300$ (in the observer frame). We also find that Fe Ly$\alpha$ emission is redshifted with a bulk velocity of $\sim 890$ km s$^{-1}$, substantially larger than the radial velocity of the local interstellar medium surrounding N 132D. These results demonstrate that high-resolution X-ray spectroscopy is capable of providing constraints on the evolutionary stage, geometry, and velocity distribution of SNRs.

individual objects↗
DOE OSTI2022

Classification of Wetland Vegetation Based on NDVI Time Series from the HLS Dataset

Natural wetlands are intrinsically heterogeneous and typically composed of a mosaic of ecosystem patches with different vegetation types. Hydrological and biogeochemical processes in wetlands vary strongly among these ecosystem patches. To date, most remote sensing classification approaches for wetland vegetation either rely on coarse images that cannot capture the spatial variability of wetland vegetation or rely on very-high-resolution multi-spectral images that are detailed but very sporadic in time (less than once per year). This study aimed to use NDVI time series, generated from NASA’s HLS dataset, to classify vegetation patches. We demonstrate our approach at a temperate, coastal lake, estuarine marsh. To classify vegetation patches, a standard time series library of the four land-cover patch types was built from referencing specific locations that were identified as “pure” pixels. These were identified using a single-time high-resolution image. We calculated the distance between the HLS-NDVI time series at each pixel and the “pure”-pixel standards for each land-cover type. The resulting true-positive classified rate was >73% for all patch types other than water lily. The classification accuracy was higher in pixels of a more uniform composition. A set of vegetation maps was created for the years 2016 to 2020 at our research site to identify the vegetation changes at the site as it is affected by rapid water elevation increases in Lake Erie. Our results reveal how changes in water elevation have changed the patch distribution in significant ways, leading to the local extinction of cattail by 2019 and a continuous increase in the area cover of water lily patches.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Cryogenic X-ray crystallographic studies of biomacromolecules at Turkish Light Source " Turkish DeLight "

X-ray crystallography is a robust and powerful structural biology technique that provides high-resolution atomic structures of biomacromolecules. Scientists use this technique to unravel mechanistic and structural details of biological macromolecules (e.g., proteins, nucleic acids, protein complexes, protein-nucleic acid complexes, or large biological compartments). Since its inception, single-crystal cryocrystallography has never been performed in Türkiye due to the lack of a single-crystal X-ray diffractometer. The X-ray diffraction facility recently established at the University of Health Sciences, Istanbul, Türkiye will enable Turkish and international researchers to easily perform high-resolution structural analysis of biomacromolecules from single crystals. Here, we describe the technical and practical outlook of a state-of-the-art home-source X-ray, using lysozyme as a model protein. The methods and practice described in this article can be applied to any biological sample for structural studies. Therefore, this article will be a valuable practical guide from sample preparation to data analysis.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

A Novel Approach to Simulate Realistic Concrete Microstructures under Irradiation

The concrete biological shield of light water reactors is exposed to high neutron and gamma irradiation doses in the long term. Irradiation deteriorates the physical and mechanical properties of concrete. Such effects need to be investigated to predict the concrete’s performance in the event of a lifetime extension of a nuclear power plant. This work combines high-resolution characterization techniques with fast-Fourier transform (FFT)-based 2-D simulations to evaluate the radiation-induced volumetric expansion (RIVE) and damage in concrete microstructures under neutron irradiation. Two concrete microstructures from samples provided by the Japan Concrete Aging Management Program (JCAMP) were characterized using micro x-ray fluorescence (mXRF) to obtain elemental intensity maps, and energy-dispersive x-ray spectroscopy to complement mXRF with local elemental information for Na. Minerals and cement paste are then identified based on the elemental composition to produce high-resolution phase maps, resulting in a more accurate representation of the microstructures compared to previous work. Simulations of radiation-induced volumetric expansion (RIVE), creep, and damage in JCAMP concrete use the fast Fourier transform (FFT)-based code Microstructure Oriented Scientific Analysis of Irradiated Concrete (MOSAIC) combined with the irradiated minerals, aggregates, and concrete (IMAC) database, which contains mineral-specific RIVE models. Overall, the simulation results are in fair agreement with experimental data.

Cheniour, Amani↗