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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Spectral evolution of Eu{sup 3+} doped Y{sub 3}NbO{sub 7} niobate induced by temperature

A Eu{sup 3+} doped Y{sub 3}NbO{sub 7} niobate powder was synthetized using a polymerizable complex route. It gave rise to nanometric particles that crystallized in the fluorine structure, corresponding to the Y{sub 3}NbO{sub 7} phase. The thermal evolution of this powder was followed up to 1600 °C, using X-ray diffraction and optical characterizations. The fluorine structure was maintained in the whole temperature range. However, spectral evolution of the samples calcined above 900 °C showed a more complex situation. Emission spectra of powders heat treated at different temperatures showed an evolution of the emission lines that can be attributed first to a better crystallization of the niobate phase and second to its partial decomposition in favor of the formation of YNbO{sub 4} and Y{sub 2}O{sub 3}. Although the Y{sub 3}NbO{sub 7} phase appeared stable up to 1650 °C, from X-ray diffraction analysis, spectral analysis showed that the local environment of the doping element is modified from 1100 °C. - Graphical abstract: Spectral evolution of Eu{sup 3+} doped Y{sub 3}NbO{sub 7} niobate induced by temperature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Quantum textures of the many-body wavefunctions in magic-angle graphene

Interactions among electrons create novel many-body quantum phases of matter with wavefunctions that often reflect electronic correlation effects, broken symmetries, and novel collective excitations. A wide range of quantum phases has been discovered in MATBG, including correlated insulating, unconventional superconducting, and magnetic topological phases. The lack of microscopic information, including precise knowledge of possible broken symmetries, has thus far hampered our understanding of MATBG's correlated phases. Here we use high-resolution scanning tunneling microscopy to directly probe the wavefunctions of the correlated phases in MATBG. The squares of the wavefunctions of gapped phases, including those of the correlated insulators, pseudogap, and superconducting phases, show distinct patterns of broken symmetry with a √3 x √3 super-periodicity on the graphene atomic lattice that has a complex spatial dependence on the moiré superlattice scale. We introduce a symmetry-based analysis to describe our measurements of the wavefunctions of MATBG's correlated phases with a set of complex-valued local order parameters. For the correlated insulators in MATBG, at fillings of ±2 electrons per moiré unit cell relative to charge neutrality, we compare the observed quantum textures to those expected for proposed theoretical ground states. In typical MATBG devices, the textures of correlated insulators' wavefunctions closely match those of the theoretically proposed IKS order, while in ultra-low-strain samples our data has local symmetries like those of a T-IVC phase. Here, we also study the wavefunction of MATBG's superconducting state, revealing strong signatures of intervalley coherence that can only be distinguished from those of the insulator with our phase-sensitive measurements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

East Tennessee Technology Park Biological Monitoring and Abatement Program 2024 Calendar Year Report

The East Tennessee Technology Park (ETTP) Biological Monitoring and Abatement Program (BMAP) consists of three tasks that reflect different but complementary approaches to evaluating the ecological integrity of waters near ETTP. These tasks include (1) bioaccumulation monitoring of fish and clams, (2) benthic macroinvertebrate species richness and density monitoring, and (3) fish community monitoring. The sampling and analysis requirements for the ETTP BMAP in calendar year 2024, covering in part both FY 2024 and FY 2025, are outlined in the respective FY sampling and analysis plans (UCOR 2023, 2024). Sampled water bodies and locations for the ETTP BMAP are shown in Figures 1 and 2. This ETTP BMAP report presents the CY 2024 results and provides context with results from previous years. The report also includes Oak Ridge National Laboratory (ORNL)–generated biological monitoring data collected for other US Department of Energy programs, including the UCOR Water Resources Restoration Program (WRRP) off-site fish bioaccumulation data (UCOR 2023) and select Y-12 National Security Complex (Y-12) BMAP fish bioaccumulation data. Historical data collected for the ETTP BMAP and other programs in the nearby Poplar Creek and Clinch River are provided where appropriate. This progress report provides an update on the biological monitoring activities supporting the ETTP UCOR Environmental Compliance organization, which sponsors the ETTP BMAP. In addition to this internal reporting, ETTP BMAP results are provided in the annual remediation effectiveness reports and the annual site environmental reports, both of which are publicly available. BMAP data are also available to the public via the Oak Ridge Environmental Information System (https://ucor.com/oak-ridge-environmental-information-system-oreis/).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Solute Redistribution During Aging in a Laser-Based Powder Bed Fusion-Produced Fe-18Ni-9Co-5Mo-Ti Maraging Steel

Solute distribution during the laser-based powder bed fusion of metals process is highly complex because of solidification. This study builds on a previous investigation of how solute heterogeneities across different scales influence phase distribution and aging physical phenomena in a Fe-18Ni-9Co-5Mo-Ti maraging steel (Santana et al. in Addit Manuf 104494, 2024). Previous work using energy-dispersive X-ray spectroscopy revealed heterogeneous Ni and Mo enrichment at intercellular regions. Using X-ray diffraction, 8 ± 3% retained austenite was quantified in as-built samples. Additionally, electron backscatter diffraction analysis exposed the location of retained austenite along cell boundaries. In this work, scanning transmission electron microscopy results revealed the presence of non-enriched retained austenite in the as-built condition. With increased aging temperature, Ni and Mo enrichment in austenite increased, especially at the austenite/martensite boundary. Solute diffusion was simulated in DICTRA Thermo-Calc® software to assess solute redistribution between the matrix and second phases and to comprehend whether elemental diffusion processes are interconnected. Three different scenarios were considered: (1) solute diffusion in the matrix; (2) diffusion with enriched austenite in the intercellular region; (3) diffusion with non-enriched austenite in the intercellular region. Results showed that Ni partitioning controls austenite growth and that boundary regions exhibit higher element enrichment than the core.

42 ENGINEERING↗
DOE OSTI2019

Advanced FIB-based Preparation of Cryogenically-prepared Specimens for APT Analysis

The utilization of the focused ion beam scanning electron microscope (FIB-SEM) has aided the application of Atom Probe Tomography (APT) to a continually-growing variety of materials, including soft biological materials. However, the regular application of APT to hydrated interfaces such as those found in biological and environmental materials is lacking in large part due to difficulties in specimen preparation under high and ultra-high vacuum conditions. Although a FIB-SEM based cryogenic specimen preparation approach offers a rational route to the preparation of such specimens for APT analysis, many practical aspects such as welding and limitations in the cryo stage manipulation makes it challenging for routine liftout of site-targeted specimens. In this work, we describe our recent efforts in the development of a site-specific liftout and attachment scheme for cryogenically cooled specimens involving a combination of redeposition and overcoating of organic and organometallic molecules, as shown in Fig. 1a-d for a cryogenically-frozen corroded glass sample containing a hydrated porous gel surface layer. Application of an annular milling pattern to the frozen specimens leads to a needle-shaped morphology necessary for APT analysis with the targeted water-ice filled porous corroded silicate glass region of interest near the apex. Using a custom shuttle device and environmental transfer hub at PNNL to facilitate environmentally-protected specimen transfer, APT analysis was applied to directly map, for the first time, a water/solid interface in 3D to reveal the complex nanoscale water-filled porous network of corroded glass. Application of this unique specimen preparation approach to biological specimens will also be discussed, as well as the application of a unique cryo nanomaniupulator with integrated gas injection system to enable controlled FIB-based welding under cryogenic temperatures.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Bioactivity Profiling of Chemical Mixtures for Hazard Characterization

Abstract The assessment and regulation of chemical toxicity to protect human health and the environment are done one chemical at a time and seldom at environmentally relevant concentrations. However, chemicals are found in the environment as mixtures, and their toxicity is largely unknown. Understanding the hazard posed by chemicals within the mixture is critical to enforce protective measures. Here, we demonstrate the application of bioactivity profiling of environmental water samples using the sentinel and ecotoxicology model species Daphnia to reveal the biomolecular response induced by exposure to real-world mixtures. We exposed a Daphnia strain to 30 sampled waters of the Chaobai River and measured the gene expression response profiles. Using a multiblock correlation analysis, we establish correlations between chemical mixtures identified in 30 water samples with gene expression patterns induced by these chemical mixtures. We identified 80 metabolic pathways putatively activated by mixtures of inorganic ions, heavy metals, polycyclic aromatic hydrocarbons, industrial chemicals, and a set of biocides, pesticides, and pharmacologically active substances. Our data-driven approach discovered both known bioactivity signatures with previously described modes of action and new pathways linked to undiscovered potential hazards. This study demonstrates the feasibility of reducing the complexity of real-world mixture toxicity to characterize the biomolecular effects of a defined number of chemical components based on gene expression monitoring of the sentinel species Daphnia.

Engineering↗
DOE OSTI2018

Analysis and Distribution of Proppant Recovered from Fracture Faces in the HFTS Slant Core Drilled through a Stimulated Reservoir

Although sand proppant has been used since 1949 to increase efficacy of hydraulically fractured treatments by preventing fractures from closing after well depressurization, many questions remain regarding the behavior and distribution of proppant in the subsurface. To this end, we quantified the amount of recovered proppant in open fractures within a slant core drilled through hydraulically fractured Wolfcamp Shale. To improve understanding of hydraulic-fracture growth and patterns, we then addressed basic questions such as the following regarding proppant behavior in the subsurface: Is there variation along the length of the examined core? Is the proppant mainly found in hydraulic fractures, in reactivated natural fractures, or is it transported into drilling-induced fractures during recovery? Do the majority of proppant grains remain whole or tend to get crushed? To answer these questions, we collected all material from every open fracture (407 samples total) within ~600 ft of core. Samples consisted of drilling mud, aluminum shavings from the core barrel, shale and lithic fragments, calcite, and, potentially, sand proppant (95% plain and 5% colored resin-coated grains) pumped during the hydraulic fracturing of adjacent wells. We then washed, sieved into four size fractions, weighed, and imaged all samples for quantitative image analysis. Retrieved samples were labeled with respect to a master fracture database, where fractures were identified in the core and on CT scans of each 3-ft interval, allowing us to code them as either hydraulic, natural reactivated, or drilling/recovery-induced fractures. From this coding, we quantified the amount of proppant within each fracture, analyzed the distribution of grains among different fracture types, and traced base versus colored grains. Proppant packs 0.5–1 cm thick were found in two locations where there was complex fracture geometry, but fracture faces showed no evidence of proppant embedment. In situ sand patches were found on a few fracture faces, mostly in fractures near the proppant packs. Pumped proppant was 100 and 40/70 mesh (149–420 μm), and even though widespread grain crushing is not observed, the majority of recovered proppant ranges from 63 to 250 μm. The distribution of retrieved proppant, especially the larger retrieved sizes (250– >500 μm), mirrors the proximity of the slant core to the hydraulic fracture treatment wells. Hydraulic fracture samples contained variable amounts of proppant, and natural reactivated fractures sometimes contained more proppant than nearby hydraulic fractures, suggesting transference between fracture types in the subsurface. Regarding colored proppant, some colored sands occurred in discreet fractures, whereas other colors appeared to be mixed and widespread. Ultimately, all fractures contain at least some proppant, especially in the smallest size fractions; however, the extent to which the proppant was introduced during the core-drilling process is still unknown. Our study is one of the first attempts at physically recovering and quantifying injected proppant from parted fracture breaks within a stimulated reservoir, and the results are significant in terms of understanding propped fracture networks and predicting future proppant distribution during hydraulic fracturing.

Elliott, Sara↗
DOE OSTI2018

Aluminum Clad Spent Nuclear Fuel Task 4: Performance of Aluminum SNF in Dry Storage Experiment Test Plan

This document presents the activities to be performed in support of understanding the performance of aluminum spent nuclear fuel (ASNF) in dry storage. These activities will visually examine and acquire baseline samples of as-irradiated ATR fuel assembly components to determine fuel condition and the morphology of the aluminum oxyhydroxides present on the fuel external surfaces. Because the boehmite phase of oxyhydroxide is projected to be a significant contributor to radiolytic hydrogen production and general corrosion, being able to quantify its presence is of major importance to long term storage of aluminum spent nuclear fuel. Baseline samples will be taken from irradiated end adapters, removed from ATR SNF elements, stored in the ATR Canal. These will be transferred to Idaho National Laboratory (INL) Materials and Fuels Complex (MFC) to perform non-destructive and destructive testing to determine the degree of hydration of the wet-stored aluminum components prior to drying and air storage. Examination of the dry stored SNF at Idaho Nuclear Technology and Engineering Center (INTEC) in CPP-603 Irradiated Fuel Storage Facility (IFSF) will allow the opportunity to identify gross degradation and as conditions permit, sample the surface oxide on fueled and un-fueled portions of the stored assemblies. The information resulting from analysis of the ATR Canal samples will be used to support validation of surrogate samples prepared under Task 6, sample surrogate preparation, and used in Task 1, oxyhydroxide layer behavior and chemistry, Task 2, oxide layer radiolytic gas generation, and Task 5, oxide layer response to drying. Surface oxide samples collected from SNF in IFSF dry storage will SNF dry storage prediction modeling from Task 3, sealed and vented system episodic breathing and gas generation prediction.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Comparing Sensor Fusion and Multimodal Chemometric Models for Monitoring U(VI) in Complex Environments Representative of Irradiated Nuclear Fuel

Optical sensors and chemometric models were leveraged for the quantification of uranium(VI) (0–100 μg mL –1 ), europium (0–150 μg mL –1 ), samarium (0–250 μg mL –1 ), praseodymium (0–350 μg mL –1 ), neodymium (0–1000 μg mL –1 ), and HNO 3 (2–4 M) with varying corrosion product (iron, nickel, and chromium) levels using laser fluorescence, Raman scattering, and ultraviolet–visible–near-infrared absorption spectra. In this paper, an efficient approach to developing and evaluating tens of thousands of partial least-squares regression (PLSR) models, built from fused optical spectra or multimodal acquisitions, is discussed. Each PLSR model was optimized with unique preprocessing combinations, and features were selected using genetic algorithm filters. The 7-factor D-optimal design training set contained just 55 samples to minimize the number of samples. The performance of PLSR models was evaluated by using an automated latent variable selection script. PLS1 regression models tailored to each species outperformed a global PLS2 model. PLS1 models built using fused spectra data and a multimodal (i.e., analyzed separately) approach yielded similar information, resulting in percent root-mean-square error of prediction values of 0.9–5.7% for the seven factors. Further, the optical techniques and data processing strategies established in this study allow for the direct analysis of numerous species without measuring luminescence lifetimes or relying on a standard addition approach, making it optimal for near-real-time, in situ measurements. Nuclear reactor modeling helped bound training set conditions and identified elemental ratios of lanthanide fission products to characterize the burnup of irradiated nuclear fuel. Leveraging fluorescence, spectrophotometry, experimental design, and chemometrics can enable the remote quantification and characterization of complex systems with numerous species, monitor system performance, help identify the source of materials, and enable rapid high-throughput experiments in a variety of industrial processes and fundamental studies.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

An X-band waveguide measurement technique for the accurate characterization of materials with low dielectric loss permittivity

In this work, we present a new X-band waveguide (WR90) measurement method that permits the broadband characterization of the complex permittivity for low dielectric loss tangent material specimens with improved accuracy. An electrically long polypropylene specimen that partially fills the cross-section is inserted into the waveguide and the transmitted scattering parameter (S{sub 21}) is measured. The extraction method relies on computational electromagnetic simulations, coupled with a genetic algorithm, to match the experimental S{sub 21} measurement. The sensitivity of the technique to sample length was explored by simulating specimen lengths from 2.54 to 15.24 cm, in 2.54 cm increments. Analysis of our simulated data predicts the technique will have the sensitivity to measure loss tangent values on the order of 10{sup −3} for materials such as polymers with relatively low real permittivity values. The ability to accurately characterize low-loss dielectric material specimens of polypropylene is demonstrated experimentally. The method was validated by excellent agreement with a free-space focused-beam system measurement of a polypropylene sheet. This technique provides the material measurement community with the ability to accurately extract material properties of low-loss material specimen over the entire X-band range. This technique could easily be extended to other frequency bands.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

Assessment of calcium addition on the removal of U(VI) in the alkaline conditions created by NH3 gas

Remediation of uranium (U) contamination in the deep vadose zone (VZ) sediments abundant in calcite mineral is a challenging task considering the formation of highly stable and mobile uranyl complexes with carbonate and calcium in pore water composition. There is a concern that uranium contamination in the VZ can serve as a continued source for groundwater pollution, creating a risk to human health and the environment through the groundwater pathway. This requires in-situ remediation of the radionuclide-contaminated VZ to convert soluble U species to low solubility precipitates that are stable in the natural environment. Injection of reactive gasses (e.g., NH3) is a promising technology to decrease U mobility in the unsaturated zone without the addition of liquid amendments. The NH3 injection creates alkaline conditions that can alter the sediment pore water composition due to a release of elements from minerals (via desorption and dissolution) that are present in the sediment. However, it is not known how VZ pore water constituents (Si, Al3+, HCO3 -, and Ca2 +) would affect U(VI) removal/precipitation in alkaline conditions. This study quantified the role of major pore water constituents typically present in the arid and semi-arid environments of the western regions of the U.S and identified solid uranium-bearing phases that could potentially precipitate from solutions approximating pore water compositions after pH manipulations via ammonia gas injections. Triplicate samples were prepared using six Si (5, 50 100, 150, 200, and 250 mM), six HCO3 - (0, 3, 25, 50, 75, and 100 mM), and two Ca2+ (5 and 10 mM) concentrations. The concentration of aluminum and uranium was kept constant at 5mM and 0.0084 mM, respectively, in all synthetic formulations tested. Results showed that the percentage of U(VI) removal was controlled by the Si/Al molar ratios and Ca2+ concentrations. Regardless of the bicarbonate concentration tested, the percentage of U(VI) removed increased as the Si/Al ratios were increased. However, higher Ca concentrations correlated with higher U(VI) removal, ranging between 96% and 99%, at low Si/Al ratios. The SEM images of dried precipitates displayed dense amorphous regions high in silica content, where EDS elemental analysis unveiled higher U atomic percentages. The formation of uranyl silicate and carbonate minerals was also predicted by the speciation modeling. XRD analysis revealed the presence of uranyl carbonate mineral phases (andersonite, grimselite); however, uranyl silicates predicted (Naboltwoodite) were not identified experimentally, possibly due to the amorphous nature of the silica solid phases observed in our experiments.

Katsenovich, Yelena↗
DOE OSTI2020

TChem v2.0 - A Software Toolkit for the Analysis of Complex Kinetic Models

TChem is an open source software library for solving complex computational chemistry problems and analyzing detailed chemical kinetic models. The software provides support for: complex kinetic models for gas-phase and surface chemistry; thermodynamic properties based on NASA polynomials; species production/consumption rates; stable time integrator for solving stiff time ordinary differential equations; and, reactor models such as homogenous gas-phase ignition (with analytical Jacobian matrices), continuously stirred tank reactor, plug-flow reactor. This toolkit builds upon earlier versions that were written in C and featured tools for gas-phase chemistry only. The current version of the software was completely refactored in C++, uses an object-oriented programming model, and adopts Kokkos as its portability layer to make it ready for the next generation computing architectures i.e., multi/many core computing platforms with GPU accelerators. We have expanded the range of kinetic models to include surface chemistry and have added examples pertaining to Continuously Stirred Tank Reactors (CSTR) and Plug Flow Reactor (PFR) models to complement the homogenous ignition examples present in the earlier versions. To exploit the massive parallelism available from modern computing platforms, the current software interface is designed to evaluate samples in parallel, which enables large scale parametric studies, e.g. for sensitivity analysis and model calibration.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Uncertainty quantification and global sensitivity analysis of the Los Alamos sea ice model

Changes in the high-latitude climate system have the potential to affect global climate through feedbacks with the atmosphere and connections with midlatitudes. Sea ice and climate models used to understand these changes have uncertainties that need to be characterized and quantified. We present a quantitative way to assess uncertainty in complex computer models, which is a new approach in the analysis of sea ice models. We characterize parametric uncertainty in the Los Alamos sea ice model (CICE) in a standalone configuration and quantify the sensitivity of sea ice area, extent, and volume with respect to uncertainty in 39 individual model parameters. Unlike common sensitivity analyses conducted in previous studies where parameters are varied one at a time, this study uses a global variance-based approach in which Sobol' sequences are used to efficiently sample the full 39-dimensional parameter space. We implement a fast emulator of the sea ice model whose predictions of sea ice extent, area, and volume are used to compute the Sobol' sensitivity indices of the 39 parameters. Main effects and interactions among the most influential parameters are also estimated by a nonparametric regression technique based on generalized additive models. A ranking based on the sensitivity indices indicates that model predictions are most sensitive to snow parameters such as snow conductivity and grain size, and the drainage of melt ponds. Lastly, it is recommended that research be prioritized toward more accurately determining these most influential parameter values by observational studies or by improving parameterizations in the sea ice model.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Distribution of rare earth elements and other critical elements in beneficiated Pennsylvania anthracites

The Pennsylvania Anthracite Fields are in a complex tectonic and metamorphic terrain, historically hosting one of the largest concentrations of coal mining in the USA. Anthracite mining now largely consists of the surface mining of the pillars remaining from the prime years of underground mining. The geochemical study of the sized coal products and the refuse (largely rock) from three preparation plants (breakers) demonstrates that Principal components analysis (PCA) of select major oxide, minor element, and rare earth elements illustrates some differentiation among the products from the individual plants. The rock samples, with abundant quartz and metamorphic Al-Si minerals and with a lower ash-basis REE concentration than the coals, were distinctly separated from the coal samples on the PCA plots. Plots of Gd N /Gd N * vs. Eu N /Eu N * and Ce N /Ce N * vs. Eu N / Eu N * showed differentiation between the individual suites of coals showed that the refuse samples had distinct REE distributions compared to the associated coals. Further, several minor and trace elements show enrichments in the coal samples. Lithium, with concentrations of up to 314 ppm on an ash basis, is among the most promising of the critical elements, exceeding the enrichment of the REY and Sc.

58 GEOSCIENCES↗
DOE OSTI2021

Identification of dislocation-related and point-defects in III-As layers for silicon photonics applications

Abstract The aim of this paper is to identify, analyze and compare the defects present in III-As, as a function of dislocation density, and as a function of the presence/absence of quantum dots (QDs). Such materials are of fundamental importance for the development of lasers and photodiodes for silicon photonics. The study is based on an extensive deep-level transient spectroscopy investigation, carried out on GaAs pin diodes grown on Si and on GaAs (that differ in the dislocation density), with and without embedded QDs. The original results described in this paper demonstrate that: (a) we were able to identify four different defects within the device grown on Si (three electron and one hole traps) and one defect (hole trap) in the device on GaAs, common to both samples; (b) all the majority carrier traps identified are located near midgap, i.e. are efficient non-radiative recombination centers; (c) such defects are absent (or non-detectable) in the sample grown on GaAs substrate, having a very low dislocation density; (d) the presence of QDs does not result in additional defects within the semiconductor material; (e) the analysis of the capture kinetics revealed that two of the identified traps are related to point defects, whereas the other two traps can be associated with point defects located near a dislocation; (f) a comparison with previous reports indicate that the detected traps are related to native III-As defects, or to oxygen-related complexes.

Physics↗
DOE OSTI2020

Non-Gaussianity in the weak lensing correlation function likelihood – implications for cosmological parameter biases

ABSTRACT We study the significance of non-Gaussianity in the likelihood of weak lensing shear two-point correlation functions, detecting significantly non-zero skewness and kurtosis in 1D marginal distributions of shear two-point correlation functions in simulated weak lensing data. We examine the implications in the context of future surveys, in particular LSST, with derivations of how the non-Gaussianity scales with survey area. We show that there is no significant bias in 1D posteriors of Ωm and σ8 due to the non-Gaussian likelihood distributions of shear correlations functions using the mock data (100 deg2). We also present a systematic approach to constructing approximate multivariate likelihoods with 1D parametric functions by assuming independence or more flexible non-parametric multivariate methods after decorrelating the data points using principal component analysis (PCA). While the use of PCA does not modify the non-Gaussianity of the multivariate likelihood, we find empirically that the 1D marginal sampling distributions of the PCA components exhibit less skewness and kurtosis than the original shear correlation functions. Modelling the likelihood with marginal parametric functions based on the assumption of independence between PCA components thus gives a lower limit for the biases. We further demonstrate that the difference in cosmological parameter constraints between the multivariate Gaussian likelihood model and more complex non-Gaussian likelihood models would be even smaller for an LSST-like survey. In addition, the PCA approach automatically serves as a data compression method, enabling the retention of the majority of the cosmological information while reducing the dimensionality of the data vector by a factor of ∼5.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Application of Synchrotron Radiation-based Methods for Environmental Biogeochemistry: Introduction to the Special Section

To understand the biogeochemistry of nutrients and contaminants in environmental media, their speciation and behavior under different conditions and at multiple scales must be determined. Synchrotron radiation-based X-ray techniques allow scientists to elucidate the underlying mechanisms responsible for nutrient and contaminant mobility, bioavailability, and behavior. The continuous improvement of synchrotron light sources and X-ray beamlines around the world has led to a profound transformation in the field of environmental biogeochemistry and, subsequently, to significant scientific breakthroughs. Following this introductory paper, this special collection includes 10 papers that either present targeted reviews of recent advancements in spectroscopic methods that are applicable to environmental biogeochemistry or describe original research studies conducted on complex environmental samples that have been significantly enhanced by incorporating synchrotron radiation-based X-ray technique(s). We believe that the current focus on improving the speciation of ultra-dilute elements in environmental media through the ongoing optimization of synchrotron technologies (e.g., brighter light sources, improved monochromators, more efficient detectors) will help to significantly push back the frontiers of environmental biogeochemistry research. As many of the relevant techniques produce extremely large datasets, we also identify ongoing improvements in data processing and analysis (e.g., software improvements and harmonization of analytical methods) as a significant requirement for environmental biogeochemists to maximize the information that can be gained using these powerful tools.

58 GEOSCIENCES↗
DOE OSTI2025

The Profiled Feldman-Cousins Method for Confidence Interval Construction for the Nova 3-Flavor Oscillation Analysis

The small interaction cross-section of neutrinos makes experimental neutrino physics particularly responsive to technological advancements. A significant development leveraged by the NOvA experiment is large-scale parallel processing, enabling novel computational approaches to longstanding experimental challenges. Central to managing the resulting high-throughput data is NOvA’s implementation of the Freight Train model, designed for efficient data production and handling.This dissertation details the methodology and execution of the NOvA 2024 3-Flavor Oscillation Analysis, supported by a comprehensive dataset spanning ten years. It emphasizes frequentist results refined through the Feldman-Cousins (FC) technique, specifically addressing confidence interval corrections in parameter estimation. The computational intensity associated with Feldman-Cousins arises from extensive Monte Carlo simulations, which were substantially mitigated through parallel computing on the Perlmutter supercomputer at the National Energy Research Scientific Computing Center (NERSC), employing the MPI framework.To further enhance computational efficiency, an Importance Sampling method is introduced and evaluated, demonstrating significant potential to reduce complexity, particularly in exploring extreme parameter space regions. This thesis presents both the successful application of advanced computational resources and the development of sophisticated statistical techniques, aiming to enhance the precision and scope of neutrino oscillation analyses.

Dye ajdye11190@gmail.com, Andrew Joseph [Mississip↗