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At least 1,567 records · Page 87

Radiative transition probabilities of neutral and singly ionized rare earth elements (La, Ce, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu) estimated by laser-induced breakdown spectroscopy

Rare earth elements (REEs) are essential to society given their prevalence in many modern technologies. Quantitative elemental analysis of REEs is therefore a critical capability. Calibration free–laser-induced breakdown spectroscopy (CF-LIBS) is a rapidly maturing and promising approach to quantitative elemental analysis with many attractive qualities. The application of CF-LIBS to analyzing samples containing the REEs is hindered by a lack of fundamental data, specifically transition probabilities (TPs). As such, this study seeks to help address this knowledge deficiency by reporting 967 previously unreported TPs for 13 REEs (lanthanum, cerium, praseodymium, neodymium, samarium, gadolinium, terbium, dysprosium, holmium, erbium, thulium, ytterbium, and lutetium). The method developed in this study to estimate the TPs requires small amounts of material (a few nanograms) compared with other approaches (~ milligrams), uses non-specialized equipment, and does not involve complicated sample preparations.

(LIBS)↗

X-ray computed tomography-based porosity analysis: Algorithms and application for porous woody biomass

The properties of lignocellulosic biomass, such as bulk physical, thermal, and mechanical properties, as well as the mobility of enzymes or catalysts, are largely affected by porosity, pore structures, and pore size distribution. While X-ray computed tomography (CT) has been introduced to effectively produce 3D volumetric images of material microstructure, a quantitative porosity analysis from the 3D images has never been done. This work introduces a first-of-its-kind X-ray CT-based quantitative porosity analysis method and applies the developed toolkit to characterize the internal porosity distribution of loblolly pine. A sample loblolly pine chip was scanned by a nano-resolution X-ray CT system and digitally reconstructed after a sequence of image processing operations. Here, a comprehensive porosity analysis was then performed to quantify the envelope porosity, the spatial distribution of local porosity, and the directional porosity. Solutions to the various challenges in image processing, porosity calculation, and large data handling are provided.

42 ENGINEERING↗

Quantitative Scanning Transmission Electron Microscopy for Materials Science: Imaging, Diffraction, Spectroscopy, and Tomography

Scanning transmission electron microscopy (STEM) is one of the most powerful characterization tools in materials science research. Due to instrumentation developments such as highly coherent electron sources, aberration correctors, and direct electron detectors, STEM experiments can examine the structure and properties of materials at length scales of functional devices and materials down to single atoms. STEM encompasses a wide array of flexible operating modes, including imaging, diffraction, spectroscopy, and 3D tomography experiments. This review outlines many common STEM experimental methods with a focus on quantitative data analysis and simulation methods, especially those enabled by open source software. The hope is to introduce both classic and new experimental methods to materials scientists and summarize recent progress in STEM characterization. The review also discusses the strengths and weaknesses of the various STEM methodologies and briefly considers promising future directions for quantitative STEM research.

36 MATERIALS SCIENCE↗

NSAID use and clinical outcomes in COVID-19 patients: a 38-center retrospective cohort study

Abstract Background Non-steroidal anti-inflammatory drugs (NSAIDs) are commonly used to reduce pain, fever, and inflammation but have been associated with complications in community-acquired pneumonia. Observations shortly after the start of the COVID-19 pandemic in 2020 suggested that ibuprofen was associated with an increased risk of adverse events in COVID-19 patients, but subsequent observational studies failed to demonstrate increased risk and in one case showed reduced risk associated with NSAID use. Methods A 38-center retrospective cohort study was performed that leveraged the harmonized, high-granularity electronic health record data of the National COVID Cohort Collaborative. A propensity-matched cohort of 19,746 COVID-19 inpatients was constructed by matching cases (treated with NSAIDs at the time of admission) and 19,746 controls (not treated) from 857,061 patients with COVID-19 available for analysis. The primary outcome of interest was COVID-19 severity in hospitalized patients, which was classified as: moderate, severe, or mortality/hospice. Secondary outcomes were acute kidney injury (AKI), extracorporeal membrane oxygenation (ECMO), invasive ventilation, and all-cause mortality at any time following COVID-19 diagnosis. Results Logistic regression showed that NSAID use was not associated with increased COVID-19 severity (OR: 0.57 95% CI: 0.53–0.61). Analysis of secondary outcomes using logistic regression showed that NSAID use was not associated with increased risk of all-cause mortality (OR 0.51 95% CI: 0.47–0.56), invasive ventilation (OR: 0.59 95% CI: 0.55–0.64), AKI (OR: 0.67 95% CI: 0.63–0.72), or ECMO (OR: 0.51 95% CI: 0.36–0.7). In contrast, the odds ratios indicate reduced risk of these outcomes, but our quantitative bias analysis showed E-values of between 1.9 and 3.3 for these associations, indicating that comparatively weak or moderate confounder associations could explain away the observed associations. Conclusions Study interpretation is limited by the observational design. Recording of NSAID use may have been incomplete. Our study demonstrates that NSAID use is not associated with increased COVID-19 severity, all-cause mortality, invasive ventilation, AKI, or ECMO in COVID-19 inpatients. A conservative interpretation in light of the quantitative bias analysis is that there is no evidence that NSAID use is associated with risk of increased severity or the other measured outcomes. Our results confirm and extend analogous findings in previous observational studies using a large cohort of patients drawn from 38 centers in a nationally representative multicenter database.

60 APPLIED LIFE SCIENCES↗

Common Cause Failure Evaluation of High Safety-significant Safety-related Digital Instrumentation and Control Systems

Digital instrumentation and control (DI&C) systems in nuclear power plants (NPPs) have many advantages over analog systems but also pose different engineering and technical challenges, such as potential threats due to common cause failures (CCFs). This paper proposes a Platform for Risk Assessment of DI&C (PRADIC) developed by Idaho National Laboratory for dealing with potential software CCFs in DI&C systems of NPPs. The methodology development of PRADIC on the quantitative evaluation of software CCFs in high safety-significant safety-related DI&C systems in NPPs is illustrated in this paper. In PRADIC, qualitative hazard analysis and quantitative reliability and consequence analysis are successively implemented to obtain quantitative risk information, compare with respective risk evaluation acceptance criteria, and provide suggestions for risk reduction and design optimization. A comprehensive case study was also performed and documented in this paper. Results show that PRADIC can effectively identify potential digital-based CCFs, estimate their failure probabilities, and evaluate their impacts to system and plant safety.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Common Cause Failure Evaluation of High Safety Significant Safety-related Digital Instrumentation and Control Systems using IRADIC Technology

Digital instrumentation and control (DI&C) systems in nuclear power plants (NPPs) have many advantages over analog systems but also pose different engineering and technical challenges, such as potential threats due to common cause failures (CCFs). This paper proposes an integrated risk assessment technology for DI&C systems (IRADIC) developed by Idaho National Laboratory for dealing with potential software CCFs in DI&C systems of NPPs. The methodology development of the IRADIC technology on the quantitative evaluation of software CCFs in high safety-significant safety-related DI&C systems in NPPs is illustrated in this paper. In IRADIC, qualitative hazard analysis and quantitative reliability and consequence analysis are successively implemented to obtain quantitative risk information, compare with respective risk evaluation acceptance criteria, and provide suggestions for risk reduction and design optimization. A comprehensive case study was also performed and documented in this paper. Results show that the IRADIC technology can effectively identify potential digital-based CCFs, estimate their failure probabilities, and evaluate their impacts to system and plant safety.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Differentiation of pancreatic neuroendocrine tumors from pancreas renal cell carcinoma metastases on CT using qualitative and quantitative features

Purpose: To assess qualitative and quantitative imaging features on enhanced CT that may differentiate pancreatic neuroendocrine tumors (PNETs) from pancreatic renal cell carcinoma (RCC) metastases. Methods: This IRB-approved multi-center retrospective case–control study compared 43 resected PNETs and 28 resected RCC metastases with pre-operative enhanced CT identified consecutively between 2003 and 2017. Two blinded radiologists (R1/R2) independently assessed tumor location, attenuation (relative to pancreas), composition (solid/cystic/mixed), homogeneity (homogeneous/heterogeneous), calcification, multiplicity, and for main pancreatic duct (MPD) dilation. Tumors were segmented for quantitative texture analysis. Data were analyzed with Chi square, logistic regression, and receiver operating characteristic (ROC). Inter-observer agreement was assessed (Cohen’s kappa). Results: There was no difference in age, gender, location, attenuation, or composition (P > 0.05) between groups. PNETs were larger than RCC metastases (37 ± 23 mm vs. 26 ± 21 mm, P = 0.038), more frequently solitary (P < 0.001), subjectively more heterogeneous (P = 0.033/0.144, R1/R2), and associated with calcification (P = 0.002/0.004) and MPD dilation (P = 0.025/0.006). Agreement for subjective features was moderate-to-almost perfect (K = 0.4879–0.9481). Quantitative texture analysis showed higher entropy in PNETs (6.32 ± 0.49 versus 5.96 ± 0.53; P = 0.004) with no difference in other features studied (P > 0.05). Entropy had ROC area under the curve for diagnosis of PNET of 0.77 ± 0.06, with optimal sensitivity/specificity of 71.4/79.1%. Conclusions: Compared to pancreatic RCC metastases, PNETs are larger, more frequently solitary, contain calcification, show MPD dilation, and are subjectively and quantitatively more heterogeneous tumors.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

An open-source computational and data resource to analyze digital maps of immunopeptidomes

We present a novel proteomics-based workflow and an open source data and computational resource for reproducibly identifying and quantifying HLA-associated peptides at high-throughput. The provided resources support the generation of HLA allele-specific peptide assay libraries consisting of consensus fragment ion spectra and the analysis of quantitative digital maps of HLA peptidomes generated by SWATH mass spectrometry (MS). This is the first community-based study towards the development of a robust platform for the reproducible and quantitative measurement of HLA peptidomes, an essential step towards the design of efficient immunotherapies.

Environmental Molecular Sciences Laboratory↗

Shrub and sedge rhizosphere communities display distinct affinities toward exudates and soil organic matter degradation: a quantitative stable isotope probing analysis

Warming temperatures are accelerating permafrost thaw and changing tundra vegetation, where woody shrubs are displacing sedges. Shrubs, such as Betula nana, and sedges, such as Eriophorum vaginatum, exhibit distinct life strategies including unique root-associated, or rhizosphere microbial communities. As permafrost thaws it unlocks previously unavailable carbon and nutrient sources resulting in deeper roots and a translocation of rhizosphere communities. Because permafrost microbial communities contain lower diversity and biomass than rhizosphere communities, the coalescence of rhizosphere and permafrost microbial communities could alter soil organic matter (SOM) degradation rates and increase greenhouse gas emissions. To identify metabolic strategies across distinct rhizosphere and permafrost microbial communities we conducted an isotope tracing incubation experiment. We inoculated thawed permafrost with shrub and sedge rhizosphere communities while adding exudates or water daily and compared this to an uninoculated control. After 46 days, we spiked samples with 18O enriched water or 13C enriched exudates and measured isotope incorporation into microbial DNA with quantitative stable isotope probing (qSIP). Our results indicate that exudate additions had little effect on uninoculated permafrost communities but the addition of exudates and rhizosphere inoculants had a compounding effect on respiration rates. We found that soils inoculated with shrub rhizosphere communities contained a mixture of exudate and SOM degraders while soils inoculated with sedge rhizosphere communities contained mainly SOM degraders. Finally, we found that individual microbial taxa exhibited maximum growth rates under specific combinations of microbial inoculant communities and exudate addition treatments. Our results reveal that microbial niches are strongly influenced by substrate preferences and community context, and suggest that a reduction in sedges and an expansion of shrubs may provide a mechanism by which permafrost carbon losses are mitigated through corresponding shifts in microbial communities and their substrate preferences.

Schaefer, Sean R [Natural Resources and Earth Syst↗

Dynamic evolution of liquid-liquid phase separation during continuous cooling

Solidification from a multiphase fluid involves many unknown quantities due to the difficulty of predicting the impact of fluid flow on chemical partitioning. Real-time x-ray radiography has been used to observe liquideliquid phase separation in Al90In10 prior to solidification. Quantitative image analysis has been used to measure the motion and population characteristics of the dispersed indium-rich liquid phase during cooling. Here we determine that the droplet growth characteristics resemble well known steady-state coarsening laws with likely enhancement by concurrent growth due to supersaturation. Simplistic views of droplet motion are found to be insufficient until late in the reaction due to a hydrodynamic instability caused by the large density difference between the dispersed and matrix liquid phases.

Alloys↗

Influence of early life exposure, host genetics and diet on the mouse gut microbiome and metabolome

Although the gut microbiome plays important roles in host physiology, health and disease1, we lack understanding of the complex interplay between host genetics and early life environment on the microbial and metabolic composition of the gut.We used the genetically diverse Collaborative Cross mouse system2 to discover that early life history impacts themicrobiome composition, whereas dietary changes have only a moderate effect. By contrast, the gut metabolome was shaped mostly by diet, with specific non-dietary metabolites explained by microbial metabolism. Quantitative trait analysis identified mouse genetic trait loci (QTL) that impact the abundances of specific microbes. Human orthologues of genes in the mouse QTL are implicated in gastrointestinal cancer. Additionally, genes located in mouse QTL for Lactobacillales abundance are implicated in arthritis, rheumatic disease and diabetes. Furthermore, Lactobacillales abundance was predictive of higher host T-helper cell counts, suggesting an important link between Lactobacillales and host adaptive immunity.

59 BASIC BIOLOGICAL SCIENCES↗

A two-stage method for microcalcification cluster segmentation in mammography by deformable models

Purpose: Segmentation of microcalcification (MC) clusters in x-ray mammography is a difficult task for radiologists. Accurate segmentation is prerequisite for quantitative image analysis of MC clusters and subsequent feature extraction and classification in computer-aided diagnosis schemes. Methods: In this study, a two-stage semiautomated segmentation method of MC clusters is investigated. The first stage is targeted to accurate and time efficient segmentation of the majority of the particles of a MC cluster, by means of a level set method. The second stage is targeted to shape refinement of selected individual MCs, by means of an active contour model. Both methods are applied in the framework of a rich scale-space representation, provided by the wavelet transform at integer scales. Segmentation reliability of the proposed method in terms of inter and intraobserver agreements was evaluated in a case sample of 80 MC clusters originating from the digital database for screening mammography, corresponding to 4 morphology types (punctate: 22, fine linear branching: 16, pleomorphic: 18, and amorphous: 24) of MC clusters, assessing radiologists’ segmentations quantitatively by two distance metrics (Hausdorff distance—HDIST{sub cluster}, average of minimum distance—AMINDIST{sub cluster}) and the area overlap measure (AOM{sub cluster}). The effect of the proposed segmentation method on MC cluster characterization accuracy was evaluated in a case sample of 162 pleomorphic MC clusters (72 malignant and 90 benign). Ten MC cluster features, targeted to capture morphologic properties of individual MCs in a cluster (area, major length, perimeter, compactness, and spread), were extracted and a correlation-based feature selection method yielded a feature subset to feed in a support vector machine classifier. Classification performance of the MC cluster features was estimated by means of the area under receiver operating characteristic curve (Az ± Standard Error) utilizing tenfold cross-validation methodology. A previously developed B-spline active rays segmentation method was also considered for comparison purposes. Results: Interobserver and intraobserver segmentation agreements (median and [25%, 75%] quartile range) were substantial with respect to the distance metrics HDIST{sub cluster} (2.3 [1.8, 2.9] and 2.5 [2.1, 3.2] pixels) and AMINDIST{sub cluster} (0.8 [0.6, 1.0] and 1.0 [0.8, 1.2] pixels), while moderate with respect to AOM{sub cluster} (0.64 [0.55, 0.71] and 0.59 [0.52, 0.66]). The proposed segmentation method outperformed (0.80 ± 0.04) statistically significantly (Mann-Whitney U-test, p < 0.05) the B-spline active rays segmentation method (0.69 ± 0.04), suggesting the significance of the proposed semiautomated method. Conclusions: Results indicate a reliable semiautomated segmentation method for MC clusters offered by deformable models, which could be utilized in MC cluster quantitative image analysis.

60 APPLIED LIFE SCIENCES↗

A Quantitative Risk-Benefit Analysis of Prophylactic Surgery Prior to Extended-Duration Spaceflight

INTRODUCTION: Among otherwise healthy astronauts undertaking deep space missions, the risks for acute appendicitis (AA) and cholecystitis (AC) are not zero. If these conditions were to occur during spaceflight they may require surgery for definitive care. The proposed study quantifies and compares the risks of developing de novo AA and AC in-flight to the surgical risks of prophylactic laparoscopic appendectomy (LA) and cholecystectomy (LC) using NASA's Integrated Medical Model (IMM). METHODS: The IMM is a Monte Carlo simulation that forecasts medical events during spaceflight missions and estimates the impact of these medical events on crew health. In this study, four Design Reference Missions (DRMs) were created to assess the probability of an astronaut developing in-flight small-bowel obstruction (SBO) following prophylactic 1) LA, 2) LC, 3) LA and LC, or 4) neither surgery (SR# S-20160407-351). Model inputs were drawn from a large, population-based 2011 Swedish study that examined the incidence and risks of post-operative SBO over a 5-year follow-up period. The study group included 1,152 patients who underwent LA, and 16,371 who underwent LC. RESULTS: Preliminary results indicate that prophylactic LA may yield higher mission risks than the control DRM. Complete analyses are pending and will be subsequently available. DISCUSSION: The risk versus benefits of prophylactic surgery in astronauts to decrease the probability of acute surgical events during spaceflight has only been qualitatively examined in prior studies. Within the assumptions and limitations of the IMM, this work provides the first quantitative guidance that has previously been lacking to this important question for future deep space exploration missions.

Carroll, Danielle↗

Simultaneous X-ray diffraction and phase-contrast imaging for investigating material deformation mechanisms during high-rate loading

Using a high-speed camera and an intensified charge-coupled device (ICCD), a simultaneous X-ray imaging and diffraction technique has been developed for studying dynamic material behaviors during high-rate tensile loading. A Kolsky tension bar has been used to pull samples at 1000 s -1 and 5000 s -1 strain-rates for super-elastic equiatomic NiTi and 1100-O series aluminium, respectively. By altering the ICCD gating time, temporal resolutions of 100 ps and 3.37 µs have been achieved in capturing the diffraction patterns of interest, thus equating to single-pulse and 22-pulse X-ray exposure. Furthermore, the sample through-thickness deformation process has been simultaneously imaged via phase-contrast imaging. It is also shown that adequate signal-to-noise ratios are achieved for the detected white-beam diffraction patterns, thereby allowing sufficient information to perform quantitative data analysis diffraction via in-house software ( WBXRD_GUI ). Of current interest is the ability to evaluate crystal d -spacing, texture evolution and material phase transitions, all of which will be established from experiments performed at the aforementioned elevated strain-rates.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Uncertainty Quantification Study of CTF for the OECD/NEA LWR Uncertainty Analysis in Modeling Benchmark

This work describes the results of a quantitative uncertainty analysis of the thermal-hydraulic subchannel code for nuclear engineering applications, Coolant Boiling in Rod Arrays-Three Field (COBRA-TF). CTF is used, which is a version of COBRA-TF developed in cooperation between the Consortium for Advanced Simulation of Light Water Reactors and North Carolina State University. Four steady-state cases from Phase II Exercise 3 of the Organisation for Economic Co-operation and Development/Nuclear Energy Agency Light Water Reactor Uncertainty Analysis in Modeling (UAM) Benchmark are analyzed using the statistical analysis tool, Design Analysis Kit for Optimization and Terascale Applications (Dakota). The input parameters include boundary condition, geometry, and modeling uncertainties, which are selected using a sensitivity study and then defined based on expert judgment. Here, a forward uncertainty quantification method with Latin hypercube sampling (LHS) is used, where the sample size is based on available computational resources.

42 ENGINEERING↗

Quantifying dry supercritical CO 2 -induced changes of the Utica Shale

Traditionally, shale formations have been studied as sealing layers that prevent vertical migration of hydrocarbons and CO2 due to their low permeability and fracture porosity. Recent research has focused on storing CO2 in hydrocarbon-bearing shale formations that have already undergone depletion through primary production and using CO2 as a potential fracturing agent for unconventional reservoirs. The injected CO2 will interact with shale components (i.e. clays, organic matter) and affect rock properties through chemical alteration, matrix swelling/shrinkage, and related geomechanical effects. As changes in rock properties will impact both anthropogenic CO2 storage and hydraulic fracturing, it is imperative to increase our understanding of the CO2-shale interactions. In-situ Fourier Transform infrared (FT-IR) spectroscopy coupled with high temperature and pressure capability was used to examine the interaction of dry CO2 on Utica Shale, clay, and kerogen samples at the molecular scale and characterize vibrational changes of sorption bands sensitive to the gas-solid environment. The Utica Shale was also analyzed for micro and macro-scale chemical and physical changes before and after exposure to dry CO2 at subsurface storage conditions using surface relocation techniques via high-resolution field-emission scanning electron microscopy (FE-SEM). Brunauer-Emmett-Teller (BET) surface area/pore size analysis and quantitative adsorption isotherms were applied to understand changes in surface area, pore volumes, and understand the storage potential of CO2 in the Utica Shale sample. FT-IR and feature relocation via FE-SEM indicate carbonate formation and dissolution occurs in shale exposed to dry CO2. Results indicate that etching and pitting occur, with minor calcite precipitation along the surface of the shale sample. Quantitative isotherm results indicate that shales with a higher content of kerogen and illite-smectite clays would be expected to have the highest CO2 storage capacity provided these constituents were accessible for interaction.

04 OIL SHALES AND TAR SANDS↗