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At least 1,063 records · Page 59

Using real-time data analysis to conduct next-generation synchrotron fatigue studies

Next-generation experimental techniques, like high energy X-ray diffraction microscopy (HEDM), usher in new opportunities to collect the grain-scale data necessary for understanding the evolving processes that drive fatigue failure. In this study, we present a framework for monitoring the evolution of a deforming polycrystal, in real-time, by applying principal component analysis (PCA) to raw X-ray diffraction image data. We applied this framework to inform in-situ HEDM measurements of a cyclically loaded Inconel-718 superalloy. Further, we discovered correlations between PCA of the diffraction data and the physical processes in the polycrystal. Lastly, we discuss extending this framework in future HEDM fatigue studies.

36 MATERIALS SCIENCE↗

A kernel machine method for detecting higher order interactions in multimodal datasets: Application to schizophrenia

Technological advances are enabling us to collect multimodal datasets at an increasing depth and resolution while with decreasing labors. Understanding complex interactions among multimodal datasets, however, is challenging. Here in this study, we tested the interaction effect of multimodal datasets using a novel method called the kernel machine for detecting higher order interactions among biologically relevant multimodal data. Using a semiparametric method on a reproducing kernel Hilbert space, we formulated the proposed method as a standard mixed-effects linear model and derived a score-based variance component statistic to test higher order interactions between multimodal datasets. The method was evaluated using extensive numerical simulation and real data from the Mind Clinical Imaging Consortium with both schizophrenia patients and healthy controls. Our method identified 13-triplets that included 6 gene-derived SNPs, 10 ROIs, and 6 gene-specific DNA methylations that are correlated with the changes in hippocampal volume, suggesting that these triplets may be important for explaining schizophrenia-related neurodegeneration. The performance of the proposed method is compared with the following methods: test based on only first and first few principal components followed by multiple regression, and full principal component analysis regression, and the sequence kernel association test. With strong evidence (p-value ≤0.000001), the triplet (MAGI2, CRBLCrus1.L, FBXO28) is a significant biomarker for schizophrenia patients. This novel method can be applicable to the study of other disease processes, where multimodal data analysis is a common task.

59 BASIC BIOLOGICAL SCIENCES↗

Integration of machine learning with neutron scattering for the Hamiltonian tuning of spin ice under pressure

Quantum materials research requires co-design of theory with experiments and involves demanding simulations and the analysis of vast quantities of data, usually including pattern recognition and clustering. Artificial intelligence is a natural route to optimise these processes and bring theory and experiments together. Here, we propose a scheme that integrates machine learning with high-performance simulations and scattering measurements, covering the pipeline of typical neutron experiments. Our approach uses nonlinear autoencoders trained on realistic simulations along with a fast surrogate for the calculation of scattering in the form of a generative model. We demonstrate this approach in a highly frustrated magnet, Dy 2 Ti 2 O 7 , using machine learning predictions to guide the neutron scattering experiment under hydrostatic pressure, extract material parameters and construct a phase diagram. Our scheme provides a comprehensive set of capabilities that allows direct integration of theory along with automated data processing and provides on a rapid timescale direct insight into a challenging condensed matter system.

36 MATERIALS SCIENCE↗

Influence of hydrogen effusion from hydrogenated silicon nitride layers on the regeneration of boron-oxygen related defects in crystalline silicon

The degradation effect boron doped and oxygen-rich crystalline silicon materials suffer from under illumination can be neutralized in hydrogenated silicon by the application of a regeneration process consisting of a combination of slightly elevated temperature and carrier injection. In this paper, the influence of variations in short high temperature steps on the kinetics of the regeneration process is investigated. It is found that hotter and longer firing steps allowing an effective hydrogenation from a hydrogen-rich silicon nitride passivation layer result in an acceleration of the regeneration process. Additionally, a fast cool down from high temperature to around 550 °C seems to be crucial for a fast regeneration process. It is suggested that high cooling rates suppress hydrogen effusion from the silicon bulk in a temperature range where the hydrogenated passivation layer cannot release hydrogen in considerable amounts. Thus, the hydrogen content of the silicon bulk after the complete high temperature step can be increased resulting in a faster regeneration process. Hence, the data presented here back up the theory that the regeneration process might be a hydrogen passivation of boron-oxygen related defects.

36 MATERIALS SCIENCE↗

Nanoscale order and crystallization in nitrogen-alloyed amorphous GeTe

The nanoscale order in amorphous GeTe thin films is measured using fluctuation transmission electron microscopy (FTEM). The order increases upon annealing at 145 °C, which indicates a coarsening of subcritical nuclei. This correlates with a reduction in the nucleation delay time in laser crystallization. A shift in the FTEM peak positions may indicate a transformation in local bonding. In samples alloyed with 12 at. % nitrogen, the order does not change upon annealing, the peak does not shift, and the nucleation time is longer. The FTEM data indicate that nitrogen suppresses the structural evolution necessary for the nucleation process and increases the thermal stability of the material.

36 MATERIALS SCIENCE↗

Intra-canopy leaf trait variation facilitates high LAI and compensatory growth in a clonal woody encroaching shrub in the tallgrass prairie

This data package contains the data for Tooley et al. (2022) Intra-canopy leaf trait variation facilitates high leaf area index and compensatory growth in a clonal woody encroaching shrub. The purpose of this project was to evaluate the leaf ecophysiological traits of Cornus drummondii C.A. Mey to better understand how C. drummondii maximizes photosynthetic rates across large gradients of light availability in its short, dense canopies. We also evaluate how C. drummondii modifies its allocation of leaf traits in response to grassland disturbance. High LAI canopies and a compensatory growth response to disturbance are two key factors contributing to the success of C. drummondii and other woody species responsible for the encroachment of grasslands.The data package contains ecophysiological measurements, including leaf morphological, physiological, and chemical traits; photosynthetic measurements, leaf carbon and nitrogen stable isotopes, leaf area index, and photosynthetically active radiation. All measurements were taken vertically across canopies of the clonal woody-encroaching shrub Cornus drummondii under browsed, grazed, and control (unbrowsed and ungrazed) conditions.Files:SeasonalMeasurements_Archive.csv - Data for all seasonal measurements used in the study.LeafPhotoSeasonalRaw_Archive.zip - zip file containing raw data from an li-6400 for each sampling period in the study.LAI_Archive.xlsx - Data for LAI Measurements.ACiandLightCurveResults_Archive.xlsx - Contains parameters extracted from A-ci and Light Response curves along with the morphological and chemical traits for each leaf.ACiRaw Archive.xlsx - Raw data from Li-6400 for A-ci response curvesLightCurves_Raw.zip - zip file containing raw data for Li-6400 light response curves. Excel file format: "IslandID"-"Depth"-lc.xlsx (or .csv)DataCollectionMethods.docx - file containing the methods of data collection, processing, and QA/QC for all data files. File also contains a list of excel file headers, abbreviations, and their units.

54 ENVIRONMENTAL SCIENCES↗

Warming amplifies the variability of methane emissions from a coastal wetland, 2025, Maryland.

These data accompany the published paper Lewis et al., 202X and are from a brackish coastal wetland in situ soil warming experiment (GENX) equipped with automated flux chambers. Methane (CH4) and carbon dioxide (CO2) fluxes were measured in 12 automated chambers using custom-built automated chambers connected to an LI-7810 CH4/CO2 analyzer. The chambers are 1.5 m tall and contain the dominant vegetation species of the site (Schoenoplectus americanus, Spartina patens, and Distichlis spicata). The chambers are also distributed across a soil warming gradient, ranging from ambient to 6°C above ambient, that was started in February 2022. This dataset contains the following files: (1) CH4 and CO2 fluxes from each chamber for March to November 2025, statistics for each flux, and environmental data (water depth, salinity, air temperature) at the time of the flux measurement; (2) 15-minute soil temperature data for each chamber; (3) Aboveground vegetation biomass (total and by species) and stem counts and dimensions for S. americanus; (4) Elevation for each chamber. All data processing code is available on Github.

Coastal wetland↗

Synthesis of scrub-oak responses to elevated CO 2

This report summarizes a synthesis project of a long-term global change experiment conducted at the Kennedy Space Center, Florida, investigating how increasing concentrations of atmospheric carbon dioxide (CO 2 ) influences the functioning of a fire-dominated scrub-oak ecosystem. The experiment began in 1996 and ended in 2007. Results presented here summarize the effects of elevated CO 2 on plant growth, soil processes, carbon and nutrient cycling, and other responses. Products include archived data from the experiment, as well as six publications in the peer-reviewed literature.

54 ENVIRONMENTAL SCIENCES↗

ORNLs Laboratory Directed Research and Development Program FY 2013 Annual Report

The Laboratory Directed Research and Development (LDRD) program at Oak Ridge National Laboratory (ORNL) reports its status to the US Department of Energy (DOE) in March of each year. The program operates under the authority of DOE Order 413.2B, “Laboratory Directed Research and Development” (April 19, 2006), which establishes DOE’s requirements for the program while providing the Laboratory Director broad flexibility for program implementation. LDRD funds are obtained through a charge to all Laboratory programs. This report includes summaries of all ORNL LDRD research activities supported during FY 2013. The associated FY 2013 ORNL LDRD Self-Assessment (ORNL/PPA-2014/2) provides financial data and an internal evaluation of the program’s management process.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Corrective Action Investigation Plan for Corrective Action Unit 414: Clean Slate III Plutonium Dispersion (TTR) Tonopah Test Range, Nevada, Revision 1

Corrective Action Unit (CAU) 414 is located on the Tonopah Test Range, which is approximately 130 miles northwest of Las Vegas, Nevada, and approximately 40 miles southeast of Tonopah, Nevada. The CAU 414 site consists of the release of radionuclides to the surface and shallow subsurface from the conduct of the Clean Slate III (CSIII) storage–transportation test conducted on June 9, 1963. CAU 414 includes one corrective action site (CAS), TA-23-03CS (Pu Contaminated Soil). The known releases at CAU 414 are the result of the atmospheric dispersal of contamination from the 1963 CSIII test. The CSIII test was a nonnuclear detonation of a nuclear device located inside a reinforced concrete bunker covered with 8 feet of soil. This test dispersed radionuclides, primarily uranium and plutonium, on the ground surface. The presence and nature of contamination at CAU 414 will be evaluated based on information collected from a corrective action investigation (CAI). The investigation is based on the data quality objectives (DQOs) developed on June 7, 2016, by representatives of the Nevada Division of Environmental Protection; the U.S. Air Force; and the U.S. Department of Energy (DOE), National Nuclear Security Administration Nevada Field Office. The DQO process was used to identify and define the type, amount, and quality of data needed to develop and evaluate appropriate corrective action alternatives for CAU 414.

54 ENVIRONMENTAL SCIENCES↗

Corrective Action Decision Document/Closure Report for Corrective Action Unit 542: Disposal Holes, Nevada Test Site, Nevada, Revision 0, with ROTC 1-2

The purpose of this Corrective Action Decision Document/Closure Report is to provide justification and documentation supporting the recommendation for closure of CAU 542 with no further corrective action. To achieve this, corrective action investigation (CAI) activities were performed from July 19 through August 25, 2006, as set forth in the Corrective Action Investigation Plan for Corrective Action Unit 542: Disposal Holes. The purpose of the CAI was to fulfill the following data needs as defined during the data quality objective (DQO) process: Determine whether contaminants of concern (COCs) are present. If COCs are present, determine the nature and extent. Provide sufficient information and data to complete appropriate corrective actions.

54 ENVIRONMENTAL SCIENCES↗

High Fluence Active Irradiation and Combined Effects Testing of Sapphire Optical Fiber Distributed Temperature Sensors [Slides]

All objectives have been completed. Heated irradiation indicates potential for sapphire fiber-based sensors to be used in extreme environments beyond silica fiber temperature limits. Sapphire optical fiber may not be appropriate for high fluence applications. Clad sapphire optical fibers have a temperature-dependent attenuation that has not been observed in unclad sapphire. With the appropriate pre-treatments and data post-processing, sapphire optical fiber has the potential to serve as a distributed sensor up to 1700ºC.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

aosflow3 (a1)

The aerosol observing system (AOS) is the primary platform for in situ aerosol measurements at Earth’s surface. Each AOS has a different complement of instruments, which are selected to ensure the best measurements at each deployment site. The AOS measures aerosol optical properties to better understand how particles interact with solar radiation and influence the Earth's radiation balance. These measurements are useful for calculating parameters used in radiative forcing calculations, such as the aerosol single scattering albedo, asymmetry parameter, mass scattering efficiency, and hygroscopic growth. Measurements made with the AOS form a long-term record at the ARM fixed sites. Shorter measurement records are available from mobile deployments in a wide variety of geographical regions. These measurements are valuable for: identifying long-term changes in aerosol properties identifying atmospheric processes controlling aerosol life cycle and their influence on clouds providing experimental data for developing and testing atmospheric climate models.

54 ENVIRONMENTAL SCIENCES↗

aoshumidgr (01)

The aerosol observing system (AOS) is the primary platform for in situ aerosol measurements at Earth’s surface. Each AOS has a different complement of instruments, which are selected to ensure the best measurements at each deployment site. The AOS measures aerosol optical properties to better understand how particles interact with solar radiation and influence the Earth's radiation balance. These measurements are useful for calculating parameters used in radiative forcing calculations, such as the aerosol single scattering albedo, asymmetry parameter, mass scattering efficiency, and hygroscopic growth. Measurements made with the AOS form a long-term record at the ARM fixed sites. Shorter measurement records are available from mobile deployments in a wide variety of geographical regions. These measurements are valuable for: identifying long-term changes in aerosol properties identifying atmospheric processes controlling aerosol life cycle and their influence on clouds providing experimental data for developing and testing atmospheric climate models.

54 ENVIRONMENTAL SCIENCES↗

SAIL-Net Raw and Post Corrected POPS Data Fall 2021 - Summer 2023

SAIL-Net is a DOE funded project in the East River Watershed near Crested Butte, Colorado with the goal of advancing our understanding of aerosol-cloud interactions in complex, mountainous regions. Through the deployment of a network of six low cost microphysics nodes in Fall 2021 in the same domain at the SAIL campaign, SAIL-Net provides data on aerosol size distributions, cloud condensation nuclei (CCN), and ice nucleation particles (INP). This network enables the investigation of small-scale variations in complex terrain. Two datasets are provided - one containing raw data and the other containing post-corrected data. The raw dataset provides the raw data recorded from the POPS which were deployed at each of the six sites. These data are organized by site and broken down into daily data files. The six site names used here are: “gothic”, “irwin”, “cbtop”, “cbmid”, “pumphouse”, and “snodgrass”. These data are not cleaned or post-corrected, but some flags have been added. The data are reported at 1 second time resolution. The post-corrected dataset provides the post-corrected and cleaned data recorded from the POPS which were deployed at each of the six sites. This data are also organized by site (same as those found in the raw data) and broken down into daily data files. Unlike the raw POPS data, these data have already been cleaned to remove what we believe are bad values. These data should be ready to use with no cleaning. For a full description of the cleaning and post-correction process, see the readme.

54 ENVIRONMENTAL SCIENCES↗

Radiative Flux Analysis (RADFLUXANAL) Value-Added Product: Retrieval of Clear-Sky Broadband Radiative Fluxes and Other Derived Values

The Radiative Flux Analysis (RADFLUX) is a technique for using surface broadband radiation measurements for detecting periods of clear (i.e., cloudless) skies, and using the detected clear-sky data to fit functions that are then used to produce continuous clear-sky estimates. The clear-sky estimates and measurements are then used in various ways to infer cloud macrophysical properties. This value-added product (VAP) is based on methodologies developed by Dr. Charles N. Long as referenced in the papers below. It is an updated version of an earlier value-added data product called the Shortwave (SW) Clear-Sky Detection and Fitting Algorithm (SWCLRID). Two major improvements were made over the SWCLRID data product: 1) input data were first run through the Data Quality Assessment for Atmospheric Radiation Measurement (ARM) Radiation Data (QCRAD) VAP to better screen for data quality, and 2) additional processing was implemented to also include longwave (LW) clear sky estimates and derived values.

54 ENVIRONMENTAL SCIENCES↗

Open Source Scalable Data Services and Data Fusion for Biological and Environmental Sciences (SBIR Phase I Final Scientific/ Technical Report)

The overarching goal of the project is to develop an integrated open-source scientific data management system (Apache V2 license), ResonantEco, that meets the need of biological and environmental researchers and developers for data management, curation, and data processing for analyses with a wide range of scale and complexity. ResonantEco will provide web enabled data services with features such as unified data interfaces and federated views of data and metadata for heterogeneous data sources with an interactive web client for data exploration. Our use of the term fusion is taken from geospatial (GIS) domain where data fusion is often synonymous with data integration. In particular, data integration in ResonantEco involves combining data residing in different sources and providing users with a unified view of them.

99 GENERAL AND MISCELLANEOUS↗

Tensile and Microindentation Stress-Strain Curves of Al-6061

Recent spherical microindentation stress-strain protocols were developed and validated on Al-6061 (DOI: 10.1186/s40192-016-0054-3). The scaling factor between the uniaxial yield strength and the indentation yield strength was determined to be about 1.9. The microindentation stress-strain protocols were then applied to a microstructurally graded sample in an effort to extract high throughput process-property relationships. The tensile and microindentation force-displacement and stress-strain data are presented in this data set.

36 MATERIALS SCIENCE↗