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At least 397 records · Page 22

A Data Exploration Tool for Large Sets of Spectra

We present an exploration tool for very large spectrum data sets such as the SDSS (Sloan Digital Sky Survey), LAMOST (Large Sky Area Multi-Object Fiber Spectroscopic Telescope), and 4MOST (4-meter Multi-Object Spectroscopic Telescope) data sets. The tool works in two stages: the first uses batch processing and the second runs interactively. The latter employs the NASA hyperwall, a configuration of 128 workstation displays (8 by 16 array) controlled by a parallelized software suite running on NASA's Pleiades supercomputer. The stellar subset of the Sloan Digital Sky Survey, DR10, was chosen to show how the our tool may be used. In stage one, SDSS files for 569,740 stars are processed through our data pipeline. The pipeline fits each spectrum using an iterative continuum algorithm, distinguishing emission from absorption and handling molecular absorption bands correctly. It then measures 1659 discrete atomic and molecular spectral features that were carefully preselected based on their likelihood of being visible at some spectral type. The depths relative to the local continuum at each feature wavelength are determined for each spectrum: these depths, the local S/N (signal to noise ratio) level, and DR10-supplied variables such as magnitudes, colors, positions, and radial velocities are the basic measured quantities used on the hyperwall. In stage two, each hyperwall panel is used to display a 2-D scatter plot showing the depth of feature A vs the depth of feature B for all of the stars. A and B change from panel to panel. The relationships between the various (A,B) strengths and any distinctive clustering are immediately apparent when examining and inter-comparing the different panels on the hyperwall. The interactive software allows the user to select the stars in any interesting region of any 2-D plot on the hyperwall, immediately rendering the same stars on all the other 2-D plots in a unique color. The process may be repeated multiple times, each selection displaying a distinctive color on all the plots. At any time, the spectra of the selected stars may be examined in detail on a connected workstation display. We illustrate how our approach allows us to quickly isolate and examine such interesting stellar subsets as EMP (Extremely Metal‐Poor) stars, CV (Cataclymic Variable) stars and C (Carbon)-rich stars.

Data Exploration↗

Laser Confocal Microscopy Uncertainty Quantification Study

At Los Alamos National Laboratory (LANL), the Storage Safety and Engineering (SSE) team completes annual surveillance on a subset of in-use interim nuclear material storage containers in fulfilment of requirements outlined in DOE Manual M 441.1-1. The containers are selected through several methods, such as subject matter expert judgement, random selection, and trending items. Following these selections, the SSE team has the capacity to complete surveillance on 15-20 containers each fiscal year, composed of a combination of SAVY-4000 and Hagan storage containers. Through previous work, the stainless-steel components of the containers have been identified as life limiting components, with an emphasis on the thin-walled bodies. The team is focused on understanding the extent of general and pitting corrosion, due to observations of extensive corrosion from stored contents and bag-out-bag degradation. Quantifying corrosion effects on the thin-walled stainless steel container bodies, and understanding potential impacts to the respective design release rates and design qualification release rates is paramount to the team. To date, destructive examination (DE) has proven to be the most insightful method for developing an understanding on the extent of corrosion on used containers. To standardize this process, the SSE team developed a destructive examination guide for analyzing stainless steel components of the containers. Corroded containers of interest are identified during surveillance activities and set aside for sectioning and characterization. Following sectioning, a major step in the DE workflow is the utilization of laser confocal microscopy for scanning corroded samples of interest and extracting data on pits, such as count, depth, and equivalent diameter. Adhering to the techniques outlined in the DE guide, analysis has been completed on two Hagans and one SAVY-4000 container, with the maximum pit depth recorded as 139.1 ± 22.82 μm on a 17.5 year old Hagan. The findings from the completed destructive examinations will be utilized to support lifetime extension efforts of the SAVY-4000 as the team can better estimate corrosion rates and effects over time based on stored contents and age. Due to the implications of observing extreme pit depths that approach the nominal container body thickness of .0299 inches (0.759 mm) or minimum container thickness of 0.236” (0.6 mm), high confidence in the LCM measurements is desired. Through testing outlined in, it was concluded that the total error ascribed to the 20x objective when conducting large image mapping on the Keyence VK-X3050 laser confocal microscope (LCM) relative to a 50x objective (reference) is 16.4% (± 8.73%). For shallow features on the order of pristine SAVY surface defects (i.e. 5 μm), this uncertainty is appropriate. However, this conservative estimate of total error poses a fundamental concern for pit depths that approach the thickness of the measured samples. That is, with the measurement uncertainty currently employed on all measurements, the LCM would be unable to resolve if a pit with a depth of 515 μm is through wall. Standard step height samples were procured and used in the present study to assess the resolution and repeatability of height measurements. Understanding the resolution and repeatability of height measurements was the first focus of the team as it relates directly to pit depth, which is of primary concern. Calibration gratings were procured to evaluate the resolution and repeatability of measurements in the X and Y axes of the LCM stage. The results of the depth uncertainty study were conducted first and presented in the subsequent sections. The planar uncertainty study is appended to the depth study with conclusions from both summarized at the end of the report.

36 MATERIALS SCIENCE↗

Availability of Seasat synthetic aperture radar imagery

One of the sensors of the Seasat satellite was a synthetic aperture radar (SAR), which was operated over both oceanic and land areas. The Seasat SAR was an active imaging microwave system which transmitted and received horizontally polarized radiation at L-band frequency (1.275 GHz, 23-cm wavelength). Extensive coverage was obtained over North America, Europe, the Eastern Pacific Ocean, the Western and Northern Atlantic Ocean, and the Beaufort Sea. Surface coverage was also acquired over limited portions of Central America, the Gulf of Mexico, and the Caribbean Sea. The majority of the data has been optically processed in a so-called survey mode. Each optically processed Seasat pass has a swath width of 100 km at a scale of 1:500,000. A subset of the SAR data has been digitally processed in a so-called high-resolution mode. Digital processing has been performed upon selected scenes with dimensions of 100 x 100 km. Digitally processed imagery has a nominal ground resolution of 25 m.

Holt, B.↗

A natural language query system for Hubble Space Telescope proposal selection

The proposal selection process for the Hubble Space Telescope is assisted by a robust and easy to use query program (TACOS). The system parses an English subset language sentence regardless of the order of the keyword phases, allowing the user a greater flexibility than a standard command query language. Capabilities for macro and procedure definition are also integrated. The system was designed for flexibility in both use and maintenance. In addition, TACOS can be applied to any knowledge domain that can be expressed in terms of a single reaction. The system was implemented mostly in Common LISP. The TACOS design is described in detail, with particular attention given to the implementation methods of sentence processing.

Hornick, Thomas↗

Characterize Aerosols from MODIS MISR OMI MERRA-2: Dynamic Image Browse Perspective

Among the known atmospheric constituents, aerosols still represent the greatest uncertainty in climate research. To understand the uncertainty is to bring altogether of observational (in-situ and remote sensing) and modeling datasets and inter-compare them synergistically for a wide variety of applications that can bring far-reaching benefits to the science community and the broader society. These benefits can best be achieved if these earth science data (satellite and modeling) are well utilized and interpreted. Unfortunately, this is not always the case, despite the abundance and relative maturity of numerous satellite-borne sensors routinely measure aerosols. There is often disagreement between similar aerosol parameters retrieved from different sensors, leaving users confused as to which sensors to trust for answering important science questions about the distribution, properties, and impacts of aerosols. NASA Goddard Earth Sciences Data and Information Services Center (GES DISC) have developed a new visualization service (NASA Level 2 Data Quality Visualization, DQViz)supporting various visualization and data accessing capabilities from satellite Level 2(MODISMISROMI) and long term assimilated aerosols from NASA Modern-Era Retrospective analysis for Research and Applications, Version 2 (MERRA-2 displaying at their own native physical-retrieved spatial resolution. Functionality will include selecting data sources (e.g., multiple parameters under the same measurement), defining area-of-interest and temporal extents, zooming, panning, overlaying, sliding, and data subsetting and reformatting.

data quality↗

Band gap predictions of double perovskite oxides using machine learning

Abstract The compositional and structural variety inherent to oxide perovskites spawn wide-ranging applications. In perovskites, the band gap E g , a key material parameter for these applications, can be optimally controlled by varying the composition. Here, we implement a hierarchical screening process in which two cross-validated and predictive machine learning models for band gap classification and regression, trained using exhaustive datasets that span 68 elements of the periodic table, are applied sequentially. The classification model separates wide band gap materials, with E g ≥ 0.5 eV, from materials which have zero or relatively small band gaps, namely E g < 0.5 eV, and the second regression model quantitatively predicts the gap value of the wide band gap compounds. The study down-selects 13,589 cubic oxide perovskite compositions that are predicted to be experimentally formable, thermodynamically stable, and have a wide band gap. Of these, a subset of 310 compounds, which are predicted to be stable and formable with a confidence greater than 90%, are identified for further investigation. Our models are methodically analyzed via performance metrics and inter-dependence of model features to gain physical insight into the band gap prediction problem. Design maps to identify the variation of band gap with substitution of different elements are also presented.

36 MATERIALS SCIENCE↗

Evaluation plan for space station network interface units

Outlined here is a procedure for evaluating network interface units (NIUs) produced for the Space Station program. The procedures should be equally applicable to the data management system (DMS) testbed NIUs produced by Honeywell and IBM. The evaluation procedures are divided into four areas. Performance measurement tools are hardware and software that must be developed in order to evaluate NIU performance. Performance tests are a series of tests, each of which documents some specific characteristic of NIU and/or network performance. In general, these performance tests quantify the speed, capacity, latency, and reliability of message transmission under a wide variety of conditions. Functionality tests are a series of tests and code inspections that demonstrate the functionality of the particular subset of ISO protocols which have been implemented in a given NIU. Conformance tests are a series of tests which would expose whether or not selected features within the ISO protocols are present and interoperable.

Weaver, Alfred C.↗

Semi-Supervised Learning of Lift Optimization of Multi-Element Three-Segment Variable Camber Airfoil

This chapter describes a new intelligent platform for learning optimal designs of morphing wings based on Variable Camber Continuous Trailing Edge Flaps (VCCTEF) in conjunction with a leading edge flap called the Variable Camber Krueger (VCK). The new platform consists of a Computational Fluid Dynamics (CFD) methodology coupled with a semi-supervised learning methodology. The CFD component of the intelligent platform comprises of a full Navier-Stokes solution capability (NASA OVERFLOW solver with Spalart-Allmaras turbulence model) that computes flow over a tri-element inboard NASA Generic Transport Model (GTM) wing section. Various VCCTEF/VCK settings and configurations were considered to explore optimal design for high-lift flight during take-off and landing. To determine globally optimal design of such a system, an extremely large set of CFD simulations is needed. This is not feasible to achieve in practice. To alleviate this problem, a recourse was taken to a semi-supervised learning (SSL) methodology, which is based on manifold regularization techniques. A reasonable space of CFD solutions was populated and then the SSL methodology was used to fit this manifold in its entirety, including the gaps in the manifold where there were no CFD solutions available. The SSL methodology in conjunction with an elastodynamic solver (FiDDLE) was demonstrated in an earlier study involving structural health monitoring. These CFD-SSL methodologies define the new intelligent platform that forms the basis for our search for optimal design of wings. Although the present platform can be used in various other design and operational problems in engineering, this chapter focuses on the high-lift study of the VCK-VCCTEF system. Top few candidate design configurations were identified by solving the CFD problem in a small subset of the design space. The SSL component was trained on the design space, and was then used in a predictive mode to populate a selected set of test points outside of the given design space. The new design test space thus populated was evaluated by using the CFD component by determining the error between the SSL predictions and the true (CFD) solutions, which was found to be small. This demonstrates the proposed CFD-SSL methodologies for isolating the best design of the VCK-VCCTEF system, and it holds promise for quantitatively identifying best designs of flight systems, in general.

Intelligent Systems↗

Evaluating causal‐based feature selection for fuel property prediction models

Abstract In‐silico screening of novel biofuel molecules based on chemical and fuel properties is a critical first step in the biofuel evaluation process due to the significant volumes of samples required for experimental testing, the destructive nature of engine tests, and the costs associated with bench‐scale synthesis of novel fuels. Predictive models are limited by training sets of few existing measurements, often containing similar classes of molecules that represent just a subset of the potential molecular fuel space. Software tools can be used to generate every possible molecular descriptor for use as input features, but most of these features are largely irrelevant and training models on datasets with higher dimensionality than size tends to yield poor predictive performance. Feature selection has been shown to improve machine learning models, but correlation‐based feature selection fails to provide scientific insight into the underlying mechanisms that determine structure–property relationships. The implementation of causal discovery in feature selection could potentially inform the biofuel design process while also improving model prediction accuracy and robustness to new data. In this study, we investigate the benefits causal‐based feature selection might have on both model performance and identification of key molecular substructures. We found that causal‐based feature selection performed on par with alternative filtration methods, and that a structural causal model provides valuable scientific insights into the relationships between molecular substructures and fuel properties.

Nguyen, Bernard↗

Identification of synthetic consortia from a set of plant-beneficial bacteria

The use of microbial inoculants in agriculture as biofertilisers and/or biopesticides is an appealing alternative to replace or reduce the practice of agrochemicals. Plant microbiota studies are revealing the different bacterial groups which are populating plant microbiomes re-energising the plant probiotic bacteria (PPB) translational research sector. Some single-microbial strain bioinoculants have proven valid in agriculture (e.g., based on Trichoderma, mycorrhiza or rhizobia); however, it is now recommended to consider multistrain consortia since plant-beneficial effects are often a result of community-level interactions in plant microbiomes. A limiting step is the selection of a fitting combination of microbial strains in order to accomplish the best beneficial effect upon plant inoculation. In this study, we have used a subset of 23 previously identified and characterised rice-beneficial bacterial colonisers to design and test a series of associated experiments aimed to identify potential PPB consortia which are able to co-colonise and induce plant growth promotion. Bacterial strains were co-inoculated in vitro and in planta using several different methods and their co-colonisation and co-persistence monitored. Results include the identification of two 5-strain and one 2-strain consortia which displayed plant growth-promoting features. Future practical applications of microbiome research must include experiments aimed at identifying consortia of bacteria which can be most effective as crop amendments.

59 BASIC BIOLOGICAL SCIENCES↗

Image-analysis techniques for determination of morphology and kinematics in arctic sea ice

SAR data have been used to study sea ice with respect to its motion and formation/deformation. With the prospect of the Alaska SAR Facility development in the near future, there is a great need for robust and efficient sea-ice analysis techniques. This paper presents a sea-ice motion analysis technique that can be used for: (1) local motion analysis of a selected ice patch, and (2) a global ice motion over the entire image area. In order to meet the operational speed requirement (over fifty images per day) a sea-ice motion analysis technique has been developed which requires very little human interaction. The proposed technique uses a subset of easily distinguishable features to predict global motion characteristics. The developed technique is applied to two pairs of SEASAT SAR images, one pair with a minor motion of 'ice pack' and another with a larger and discontinuous motion of 'fast ice'. The new approach enables the development of a set of computer-aided tools for feature selection and registration and the implementation of an optimal search strategy for automatic template matching via a motion prediction model.

Lee, Meemong↗

A Weakly Supervised Machine Learning Procedure for Magnet Quench Diagnostics

Voltage taps remain the standard and reliable diagnostic tool for detecting quenches in superconducting magnets. However, they identify a quench only at the time of voltage rise and do not provide information on earlier physical precursors. In this work, we investigate whether acoustic emission data can reveal precursor activity that occurs before conventional voltage detection using machine learning techniques. We introduce an event selection method and a weakly supervised machine learning procedure to learn data-driven criteria for identifying potential acoustic precursors to quenches. Two Convolutional Neural Network (CNN) architectures are trained: one on acoustic sensor events from our selection procedure and one on the Fast Fourier Transforms (FFTs) of these events. Both networks are trained iteratively using confidence-weighted loss functions to associate certain subsets of training data with a precursor label. We evaluate the performance of these models by examining the time distribution of events classified as potential precursors relative to the quench onset. Results indicate that the proposed approach can possibly distinguish acoustic emission events occurring closer to the quench from earlier acoustic activity during ramping, suggesting the potential for flagging quench precursors in acoustic data.

Khan, Maira [Fermilab] (ORCID:0009000891602387)↗

Lunar crater arcs

An analysis has been made of the tendency of large lunar craters to lie along circles. A catalog of the craters at least 50 km in diameter was prepared first, noting position, diameter, rim sharpness and completion, nature of underlying surface, and geological age. The subset of those craters 50-400 km in diameter was then used as input to computer programs which identified each 'family' of four or more craters of selected geological age lying on a circular arc. For comparison, families were also identified for randomized crater models in which the crater spatial density was matched to that on the moon, either overall or separately for mare and highland areas. The observed frequency of lunar arcuate families was statistically highly significantly greater than for the randomized models, for craters classified as either late-pre-Imbrian (Nectarian), middle pre-Imbrian, or early pre-Imbrian, as well as for a number of larger age-classes. The lunar families tend to center in specific areas of the moon; these lie in highlands rather than maria and are different for families of Nectarian craters than for pre-Nectarian. The origin of the arcuate crater groupings is not understood.

Jaffe, L. D.↗

Responses of women to orthostatic and exercise stresses

The results are presented from a special physiological study of women at the Johnson Space Center in 1976 to 1977. Its purpose was to establish a large (98 subjects) database from normal working women. The data sets are medical historical, clinical, anthropometric, and stress response statistics useful for establishing medical criteria for selecting women astronauts. Stressors were lower body negative pressure and static standing (both orthostatic) and treadmill exercise (ergometric). Data shown are original individual values with analyses and subsets, and statistical summaries and correlations relating to human responses to microgravity. Similarities appear between the characteristics of women in this study and those of women astronauts currently flying in Shuttle crews.

Hoffler, G. W.↗

No Galaxy Left Behind: Measuring the Transfer Function of the Dark Energy Survey with Balrog

In this dissertation, we describe a calibration and diagnostic framework called Balrog which was used to directly sample the selection and photometric biases of the Dark Energy Survey (DES) Year 3 (Y3) dataset. We systematically inject onto the single-epoch images of a random 20% subset of the DES footprint an ensemble of nearly 30 million realistic galaxy models derived from DES Deep Field observations. These augmented images are analyzed in parallel with the original data to automatically inherit measurement systematics that are often too difficult to capture with traditional generative models. The resulting object catalog is a Monte Carlo sampling of the DES transfer function and is used as a powerful diagnostic and calibration tool for a variety of DES Y3 science, particularly for the calibration of the photometric redshifts of distant "source" galaxies and magnification biases of nearer "lens" galaxies. The recovered Balrog injections are shown to closely match the photometric property distributions of the fiducial Y3 GOLD catalog, particularly in color, and capture the number density fluctuations from observing conditions of the real data within 1% for a typical galaxy sample. We find that Y3 colors are extremely well calibrated, typically within ~1-8 millimagnitudes, but for a small subset of objects we detect significant magnitude biases correlated with large overestimates of the injected object size due to proximity effects and blending. Finally, we discuss approaches to extend the current methodology to capture more aspects of the transfer function for future analyses.

79 ASTRONOMY AND ASTROPHYSICS↗

CRITICAL MINERAL RESOURCE ASSESSMENT OF COALS FROM THE POWDER RIVER BASIN, WYOMING, USA

Coal and associated sediments are potential sources of Rare Earth Elements (REE) and other critical minerals necessary for many consumer and defense-related products and development of energy technologies. For this study, 15 samples were sourced from Dry Fork Mine within the Powder River Basin near Gillette, Wyoming, to determine REE content along with select transition metals (t-metals) of interest in non-combusted coals and associated sediments. An excavator collected samples along a mine highwall, within benched intervals representing a foot to a few feet of coal strata. Homogenized sample subsets were crushed in an aluminum-ceramic vial, then passed through a 106-micron sieve. Sieved samples were pyrolyzed by a LECO TGA-108, which concurrently measured sample moisture, volatile, and ash content. Residual ash was then fused into a glass bead with lithium metaborate at a 6:1 Li-metaborate to sample ratio and then dissolved in 20% nitric acid. The nitric acid solutions containing digested beads were then diluted and passed through a 0.45 micron syringe filter. Filtered samples were analyzed by ICP-MS for REE and select t-metals. Reagent blanks were analyzed to assess for any potential contamination. Total REE plus Y (REE+Y) concentrations across the 15 samples range from 52 ppm to 1015 ppm with an average of 477 ppm on a dry ash basis. When normalized to upper continental crust (UCC; Taylor and McLennan, 1985) values, 13 of the 15 samples show average enrichment factors (EF) for REE+Y greater than 1. EF values indicate M-type enrichment (Sm through Er), as opposed to distinct preferential enrichment of light or heavy REE. T-metals with the highest average concentrations are V, Cu, Ni, and Zr at 215, 243, 123, and 118 ppm, respectively. Multiple t-metals had EF>1; however, Cu, Ge, and Sb have the highest average EF relative to UCC for t-metals, at 9.7, 8.0, and 17.0, respectively.

Copeland, Grant↗

CMIP5 model selection for ISMIP6 ice sheet model forcing: Greenland and Antarctica

Abstract. The ice sheet model intercomparison project for CMIP6 (ISMIP6) effort brings together the ice sheet and climate modeling communities to gain understanding of the ice sheet contribution to sea level rise. ISMIP6 conducts stand-alone ice sheet experiments that use space- and time-varying forcing derived from atmosphere–ocean coupled global climate models (AOGCMs) to reflect plausible trajectories for climate projections. The goal of this study is to recommend a subset of CMIP5 AOGCMs (three core and three targeted) to produce forcing for ISMIP6 stand-alone ice sheet simulations, based on (i) their representation of current climate near Antarctica and Greenland relative to observations and (ii) their ability to sample a diversity of projected atmosphere and ocean changes over the 21st century. The selection is performed separately for Greenland and Antarctica. Model evaluation over the historical period focuses on variables used to generate ice sheet forcing. For stage (i), we combine metrics of atmosphere and surface ocean state (annual- and seasonal-mean variables over large spatial domains) with metrics of time-mean subsurface ocean temperature biases averaged over sectors of the continental shelf. For stage (ii), we maximize the diversity of climate projections among the best-performing models. Model selection is also constrained by technical limitations, such as availability of required data from RCP2.6 and RCP8.5 projections. The selected top three CMIP5 climate models are CCSM4, MIROC-ESM-CHEM, and NorESM1-M for Antarctica and HadGEM2-ES, MIROC5, and NorESM1-M for Greenland. This model selection was designed specifically for ISMIP6 but can be adapted for other applications.

54 ENVIRONMENTAL SCIENCES↗

Catlas: an automated framework for catalyst discovery demonstrated for direct syngas conversion

Catalyst discovery is paramount to support access to energy and key chemical feedstocks in a post fossil fuel era. Exhaustive computational searches of large material design spaces using ab initio methods like density functional theory (DFT) are infeasible. We seek to explore large design spaces at relatively low computational cost by leveraging large, generalized, graph-based machine learning (ML) models, which are pretrained and therefore require no upfront data collection or training. We present Catlas, a framework that distributes and automates the generation of adsorbate-surface configurations and ML inference of DFT energies to achieve this goal. Catlas is open source, making ML assisted catalyst screenings easy and available to all. To demonstrate its efficacy, we use Catlas to explore catalyst candidates for the direct conversion of syngas to multi-carbon oxygenates. For this case study, we explore 947 stable/metastable binary, transition metal intermetallics as possible catalyst candidates. On this subset of materials, we are able to predict the adsorption energy of key descriptors, *CO and *OH, with good accuracy (0.16, 0.14 eV MAE, respectively). Using the projected selectivity towards C 2+ oxygenates from an existing microkinetic model, we identified 144 candidate materials. For 10 promising candidates, DFT calculations reveal a good correlation with our assessment using ML. Finally, among the top elemental combinations were Pt–Ti, Pd–V, Ni–Nb, and Ti–Zn, all of which appear unexplored experimentally.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗