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At least 109 records · Page 6

BAMCensus (The Behavior and Advanced Mobility Census Dataset Aggregator) [SWR-25-120]

This software is a high-performance tool developed in Rust for downloading and processing large-scale geospatial datasets, specifically focusing on US Census data. It is designed to address scaling limitations found in existing tools, such as R's [tidycensus](https://walker-data.com/tidycensus/), by providing performant streaming dataset JOIN operations between various US Census datasets (like ACS and LEHD) and their corresponding geometries stored on the TIGER/Lines web server. The tool automates the process of joining these data sources, returning aggregated data to the user based on a specified census GEOID type. The tool automates the process of joining these data sources, returning aggregated data to the user based on a specified census GEOID type. Its primary motivation stems from the need for a high-performance solution to combine spatial datasets with graph traversals within the context of mobility analysis tooling being developed at NREL's Behavior and Advanced Mobility (BAM) group.

Fitzgerald, Robert [National Renewable Energy Labo↗

Assessing state-of-the-art capabilities for probing the atmospheric boundary layer: The XPIA field campaign

To assess current capabilities for measuring flow within the atmospheric boundary layer, including within wind farms, the U.S. Dept. of Energy sponsored the eXperimental Planetary boundary layer Instrumentation Assessment (XPIA) campaign at the Boulder Atmospheric Observatory (BAO) in spring 2015. Herein, we summarize the XPIA field experiment, highlight novel measurement approaches, and quantify uncertainties associated with these measurement methods. Line-of-sight velocities measured by scanning lidars and radars exhibit close agreement with tower measurements, despite differences in measurement volumes. Virtual towers of wind measurements, from multiple lidars or radars, also agree well with tower and profiling lidar measurements. Estimates of winds over volumes from scanning lidars and radars are in close agreement, enabling assessment of spatial variability. Strengths of the radar systems used here include high scan rates, large domain coverage, and availability during most precipitation events, but they struggle at times to provide data during periods with limited atmospheric scatterers. In contrast, for the deployment geometry tested here, the lidars have slower scan rates and less range, but provide more data during non-precipitating atmospheric conditions. Microwave radiometers provide temperature profiles with approximately the same uncertainty as Radio-Acoustic Sounding Systems (RASS). Using a motion platform, we assess motion-compensation algorithms for lidars to be mounted on offshore platforms. As a result, we highlight cases for validation of mesoscale or large-eddy simulations, providing information on accessing the archived dataset. We conclude that modern remote sensing systems provide a generational improvement in observational capabilities, enabling resolution of fine-scale processes critical to understanding inhomogeneous boundary-layer flows.

17 WIND ENERGY↗

A hybrid computational strategy to address WGS variant analysis in >5000 samples

Abstract Background The decreasing costs of sequencing are driving the need for cost effective and real time variant calling of whole genome sequencing data. The scale of these projects are far beyond the capacity of typical computing resources available with most research labs. Other infrastructures like the cloud AWS environment and supercomputers also have limitations due to which large scale joint variant calling becomes infeasible, and infrastructure specific variant calling strategies either fail to scale up to large datasets or abandon joint calling strategies. Results We present a high throughput framework including multiple variant callers for single nucleotide variant (SNV) calling, which leverages hybrid computing infrastructure consisting of cloud AWS, supercomputers and local high performance computing infrastructures. We present a novel binning approach for large scale joint variant calling and imputation which can scale up to over 10,000 samples while producing SNV callsets with high sensitivity and specificity. As a proof of principle, we present results of analysis on Cohorts for Heart And Aging Research in Genomic Epidemiology (CHARGE) WGS freeze 3 dataset in which joint calling, imputation and phasing of over 5300 whole genome samples was produced in under 6 weeks using four state-of-the-art callers. The callers used were SNPTools, GATK-HaplotypeCaller, GATK-UnifiedGenotyper and GotCloud. We used Amazon AWS, a 4000-core in-house cluster at Baylor College of Medicine, IBM power PC Blue BioU at Rice and Rhea at Oak Ridge National Laboratory (ORNL) for the computation. AWS was used for joint calling of 180 TB of BAM files, and ORNL and Rice supercomputers were used for the imputation and phasing step. All other steps were carried out on the local compute cluster. The entire operation used 5.2 million core hours and only transferred a total of 6 TB of data across the platforms. Conclusions Even with increasing sizes of whole genome datasets, ensemble joint calling of SNVs for low coverage data can be accomplished in a scalable, cost effective and fast manner by using heterogeneous computing platforms without compromising on the quality of variants.

59 BASIC BIOLOGICAL SCIENCES↗

DECA: scalable XHMM exome copy-number variant calling with ADAM and Apache Spark

Abstract Background XHMM is a widely used tool for copy-number variant (CNV) discovery from whole exome sequencing data but can require hours to days to run for large cohorts. A more scalable implementation would reduce the need for specialized computational resources and enable increased exploration of the configuration parameter space to obtain the best possible results. Results DECA is a horizontally scalable implementation of the XHMM algorithm using the ADAM framework and Apache Spark that incorporates novel algorithmic optimizations to eliminate unneeded computation. DECA parallelizes XHMM on both multi-core shared memory computers and large shared-nothing Spark clusters. We performed CNV discovery from the read-depth matrix in 2535 exomes in 9.3 min on a 16-core workstation (35.3× speedup vs. XHMM), 12.7 min using 10 executor cores on a Spark cluster (18.8× speedup vs. XHMM), and 9.8 min using 32 executor cores on Amazon AWS’ Elastic MapReduce. We performed CNV discovery from the original BAM files in 292 min using 640 executor cores on a Spark cluster. Conclusions We describe DECA’s performance, our algorithmic and implementation enhancements to XHMM to obtain that performance, and our lessons learned porting a complex genome analysis application to ADAM and Spark. ADAM and Apache Spark are a performant and productive platform for implementing large-scale genome analyses, but efficiently utilizing large clusters can require algorithmic optimizations and careful attention to Spark’s configuration parameters.

Linderman, Michael D. (ORCID:0000000296437148)↗

Effect of Aging on the Safety and Sensitivity of Nitroglycerine/Nitrocellulose Mixtures

Mixtures of nitroglycerine (NG) and nitrocellulose (NC) were prepared and aged for several days. Small-scale safety and thermal (SSST) tests were conducted to determine the effect of aging on impact, friction, spark and thermal sensitivities of the mixtures. Nuclear magnetic resonance (NMR) was also used to determine any possible chemical reaction and products occurred during the aging process. The test results are summarized in this report. The main effect due to aging is on impact sensitivity, found by this study. Depending upon how the drop hammer test was performed, the sensitivity of the NG/NC material either decreased or increased with aging. BAM friction also possibly showed a slight decrease in sensitivity upon aging. ESD, DSC, and NMR exhibited no changes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A compact single-camera system for high-speed, simultaneous 3-D velocity and temperature measurements.

The University of Michigan and Sandia National Laboratories collaborated on the initial development of a compact single-camera approach for simultaneously measuring 3-D gasphase velocity and temperature fields at high frame rates. A compact diagnostic tool is desired to enable investigations of flows with limited optical access, such as near-wall flows in an internal combustion engine. These in-cylinder flows play a crucial role in improving engine performance. Thermographic phosphors were proposed as flow and temperature tracers to extend the capabilities of a novel, compact 3D velocimetry diagnostic to include high-speed thermometry. Ratiometric measurements were performed using two spectral bands of laser-induced phosphorescence emission from BaMg2Al10O17:Eu (BAM) phosphors in a heated air flow to determine the optimal optical configuration for accurate temperature measurements. The originally planned multi-year research project ended prematurely after the first year due to the Sandia-sponsored student leaving the research group at the University of Michigan.

Lu, Louise↗

Integrated Data Collection Analysis (IDCA) Program - AN and Bullseye Smokeless Powder

The Integrated Data Collection Analysis (IDCA) program is conducting a proficiency study for Small- Scale Safety and Thermal (SSST) testing of homemade explosives (HMEs). Described here are the results for impact, friction, electrostatic discharge, and differential scanning calorimetry analysis of ammonium nitrate (AN) mixed with Bullseye® smokeless powder (Gunpowder). The participants found the AN/Gunpowder to: 1) have a range of sensitivity to impact, comparable to or less than RDX, 2) be fairly insensitive to friction as measured by BAM and ABL, 3) have a range for ESD, from insensitive to more sensitive than PETN, and 4) have thermal sensitivity about the same as PETN and Gunpowder. This effort, funded by the Department of Homeland Security (DHS), is putting the issues of safe handling of these materials in perspective with standard military explosives. The study is adding SSST testing results for a broad suite of different HMEs to the literature. Ultimately the study has the potential to suggest new guidelines and methods and possibly establish the SSST testing accuracies needed when developing safe handling practices for HMEs. Each participating testing laboratory uses identical test materials and preparation methods. Note, however, the test procedures differ among the laboratories. The testing performers involved are Lawrence Livermore National Laboratory (LLNL), Los Alamos National Laboratory (LANL), Indian Head Division, Naval Surface Warfare Center, (NSWC IHD), Sandia National Laboratories (SNL), and Air Force Research Laboratory (AFRL/RXQL). These tests are conducted as a proficiency study in order to establish some consistency in test protocols, procedures, and experiments and to compare results when these testing variables cannot be made consistent. Keywords: Small-scale safety testing, proficiency test, impact-, friction-, spark discharge-, thermal testing, round-robin test, safety testing protocols, HME, RDX, potassium perchlorate, potassium chlorate, sodium chlorate, sugar, dodecane, PETN, carbon, ammonium nitrate, Gunpowder, Bullseye® smokeless powder.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Integrated Data Collection Analysis (IDCA) Program — Bullseye ® Smokeless Powder

The Integrated Data Collection Analysis (IDCA) program is conducting a proficiency study for Small- Scale Safety and Thermal (SSST) testing of homemade explosives (HMEs). Described here are the results for impact, friction, electrostatic discharge, and differential scanning calorimetry analysis of Bullseye ® smokeless powder (Gunpowder). The participants found the Gunpowder: 1) to have a range of sensitivity to impact, from less than RDX to almost as sensitive as PETN, 2) to be moderately sensitive to BAM and ABL friction, 3) have a range for ESD, from insensitive to more sensitive than PETN, and 4) to have thermal sensitivity about the same as PETN and RDX.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Integrated Data Collection Analysis (IDCA) Program — Ammonium Nitrate

The Integrated Data Collection Analysis (IDCA) program is conducting a proficiency study for Small- Scale Safety and Thermal (SSST) testing of homemade explosives (HMEs). Described here are the results for impact, friction, electrostatic discharge, and differential scanning calorimetry analysis of ammonium nitrate (AN). AN was tested, in most cases, as both received from manufacturer and dried/sieved. The participants found the AN to be: 1) insensitive in Type 12A impact testing (although with a wide range of values), 2) completely insensitive in BAM friction testing, 3) less sensitive than the RDX standard in ABL friction testing, 4) less sensitive than RDX in ABL ESD testing, and 5) less sensitive than RDX and PETN in DSC thermal analyses.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Integrated Data Collection Analysis (IDCA) Program — RDX Standard Data Sets

The Integrated Data Collection Analysis (IDCA) program is conducting a proficiency study for Small- Scale Safety and Thermal (SSST) testing of homemade explosives (HMEs). Described here are the results for impact, friction, electrostatic discharge, and differential scanning calorimetry analysis of the RDX Type II Class 5 standard, for a third and fourth time in the Proficiency Test and averaged with the analysis results from the first and second time. The results, from averaging all four sets (1, 2, 3 and 4) of data suggest a material to have slightly more impact sensitivity, more BAM friction sensitivity, less ABL friction sensitivity, similar ESD sensitivity, and same DSC sensitivity, compared to the results from Set 1, which was used previously as the values for the RDX standard in IDCA Analysis Reports.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Integrated Data Collection Analysis (IDCA) Program - RDX Standard Data Set 2

The Integrated Data Collection Analysis (IDCA) program is conducting a proficiency study for Small- Scale Safety and Thermal (SSST) testing of homemade explosives (HMEs). Described here are the results for impact, friction, electrostatic discharge, and differential scanning calorimetry analysis of the RDX Type II Class 5 standard, from testing the second time in the Proficiency Test. This RDX testing (Set 2) compared to the first (Set 1) was found to have about the same impact sensitivity, have more BAM friction sensitivity, less ABL friction sensitivity, similar ESD sensitivity, and same DSC sensitivity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Integrated Data Collection Analysis (IDCA) Program - NaClO 3 /Icing Sugar

The Integrated Data Collection Analysis (IDCA) program is conducting a proficiency study for Small- Scale Safety and Thermal (SSST) testing of homemade explosives (HMEs). Described here are the results for impact, friction, electrostatic discharge, and differential scanning calorimetry analysis of a mixture of NaClO 3 and icing sugar—NaClO 3 /icing sugar mixture. The mixture was found to: be more sensitive than RDX but less sensitive than PETN in impact testing (180-grit sandpaper); be more sensitive than RDX and about the same sensitivity as PETN in BAM fiction testing; be less sensitive than RDX and PETN except for one participant found the mixture more sensitive than PETN in ABL ESD testing; and to have one to three exothermic features with the lowest temperature event occurring at ~ 160°C always observed in thermal testing. Variations in testing parameters also affected the sensitivity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

COLLABORATIVE RESEARCH: Study of Aerosol Sources and Processing at the GVAX Pantnagar Supersite

This project was part of a collaborative campaign, including the participation of scientists from seven research groups as part of the Winter Intensive Operating Period (January-February 2012) of the Clean Air for London (ClearfLo) campaign at a rural site in Detling, UK, 45 km southeast of central London to study wintertime sources of urban particulate matter. The UW contribution by PI Thornton’s group was to make the first deployment of a chemical ionization mass spectrometer instrument (MOVI-CI-ToFMS) to measure both particle and gas phase organic acids. The new instrument ran nearly continuously during the ClearfLo WINTER IOP at the Detling site, producing a first-ever data set of molecular composition information that can be used for source apportionment and process studies. The UW group published a paper in Environmental Science and Technology and contributed to another (Bohnenstengel et al BAMS 2015) detailing a direct molecular connection between biomass/biofuel burning particles and aerosol light absorption. The ES&T paper (Mohr, et al ES&T 2013) has received 42 citations in just 3 years indicative of its significant impact on the field. These measurements of urban and rural aerosol properties will contribute to improved modeling of regional aerosol emissions, and of atmospheric aging and removal.

54 ENVIRONMENTAL SCIENCES↗

Improving the representation of soluble iron in climate models

Funding from this grant supported Rachel Sanza, Yan Zhang and partially Samuel Albani. Substantial progress has been made on inclusion of mineralogy, showing the quality of the simulations, and the impact on radiation in the CAM4 and CAM5 (Scanza et al., 2015). In addition, the elemental distribution has been evaluated (and partially supported by this grant) (Zhang et al., 2015), showing that using spatial distributions of mineralogy, improved resperentation of Fe, Ca and Al are possible, compared to the limited available data. A new intermediate complexity soluble iron scheme was implemented in the Bulk Aerosol Model (BAM), which was completed as part of Rachel Scanza’s PhD thesis. Currently Rachel is writing up at least two first author papers describing the general methods and comparison to observations (Scanza et al., in prep.), as well as papers describing the sensitivity to preindustrial conditions and interannual variability. This work lead to the lead PI being asked to write a commentary in Nature (Mahowald, 2013) and two review papers (Mahowald et al., 2014, Mahowald et al., submitted) and contributed to related papers (Albani et al., 2016, Albani et al., 2014, Albani et al., 2015).

54 ENVIRONMENTAL SCIENCES↗

Ecological prevalence, genetic diversity, and epidemiological aspects of Salmonella isolated from tomato agricultural regions of the Virginia Eastern Shore

Virginia is the third largest producer of fresh-market tomatoes in the United States. Tomatoes grown along the eastern shore of Virginia are implicated almost yearly in Salmonella illnesses. Traceback implicates contamination occurring in the pre-harvest environment. To get a better understanding of the ecological niches of Salmonella in the tomato agricultural environment, a 2-year study was undertaken at a regional agricultural research farm in Virginia. Environmental samples, including tomato (fruit, blossoms, and leaves), irrigation water, surface water and sediment, were collected over the growing season. These samples were analyzed for the presence of Salmonella using modified FDA-BAM methods. Molecular assays were used to screen the samples. Over 1500 samples were tested. Seventy-five samples tested positive for Salmonella yielding over 230 isolates. The most commonly isolated serovars were S. Newport and S. Javiana with pulsed-field gel electrophoresis yielding 39 different patterns. Genetic diversity was further underscored among many other serotypes, which showed multiple PFGE subtypes. Whole genome sequencing (WGS) of several S. Newport isolates collected in 2010 compared to clinical isolates associated with tomato consumption showed very few single nucleotide differences between environmental isolates and clinical isolates suggesting a source link to Salmonella contaminated tomatoes. Nearly all isolates collected during two growing seasons of surveillance were obtained from surface water and sediment sources pointing to these sites as long-term reservoirs for persistent and endemic contamination of this environment.

54 ENVIRONMENTAL SCIENCES↗

Recalls of tattoo and permanent makeup inks in the United States and a follow-up microbiological survey of inks with a previous recall history

In this study, we collected voluntary recall records of tattoo and permanent makeup ink from the U.S. Food and Drug Administration (US FDA) Enforcement Report Database. The recall records contain information, such as recall date, manufacturer, ink color, reason for recall, and the microorganisms detected from the ink samples. Between 2003 and 2021, a total of 15 voluntary tattoo ink recalls occurred in the U.S. market, involving over 200 tattoo inks marketed by 13 manufacturers and one distributor. Fourteen recalls were due to microbial contamination, and one recall was due to allergic reaction. As follow-up, a microbiological survey of 28 tattoo inks of new batches from seven manufacturers having products that were previously recalled was conducted. Aerobic plate count (APC) and enrichment culture methods based on the FDA’s Bacteriological Analytical Manual (BAM) were used to detect microbial contamination. The results revealed that six out of 28 tattoo inks were contaminated with bacteria and were produced by two manufacturers. The level of microbial contamination was less than 250 CFU/g in three of the tattoo inks and between 1 × 10 3 and 1 × 10 5 CFU/g in the other three inks. Eleven bacterial isolates were identified, including spore-forming Bacillus -related species and potentially pathogenic species. Overall, this study shows that some tattoo ink products produced by manufacturers with a recall history continue to be contaminated with microorganisms. This highlights the need for ongoing monitoring and quality control of such products.

59 BASIC BIOLOGICAL SCIENCES↗

Modulation of springtime surface sensible heating over the Tibetan Plateau on the interannual variability of East Asian dust cycle

Previous observational evidence and numerical simulations have revealed that the surface sensible heating in spring (March–April–May, MAM) over the Tibetan Plateau (TPSH) can affect the Asian regional hydrological cycle, surface energy balance, and climate through altering atmospheric heat source of the Tibetan Plateau (TP). This study aims to investigate the impacts of MAM TPSH on the interannual variability of East Asian dust cycle by using CAM4-BAM (version 4 of the Community Atmosphere Model coupled to a bulk aerosol model), MERRA-2 (version 2 of the Modern-Era Retrospective analysis for Research and Applications) surface dust concentration, and TPSH measurements. Our simulations show that the surface dust concentrations over the East Asian (EA) dust source region and over the northwestern Pacific (NP) in MAM are significantly positively correlated with TPSH, with regionally averaged correlation coefficients of 0.49 for EA and 0.44 for NP. Similar positive correlations are also shown between the MAM TPSH measurements averaged over the 73 observation sites and the surface dust concentration from MERRA-2. Simulation-based comparisons between strongest and weakest TPSH years reveal that, the MAM surface dust concentration in the strongest TPSH years increases with relative differences of 13.1 % over EA and 36.9 % over NP. These corresponding differences are found in MERRA-2 with 22.9 % and 13.3 % over EA and NP, respectively. Further simulated results show that the processes of whole dust cycles (e.g., dust loading, emission, and transport, as well as dust deposition) are also significantly enhanced during the strongest TPSH years over EA and NP. Through enhancing the TP heat source, stronger TPSH in MAM generates an anticyclonic anomaly in middle and upper troposphere over the TP and over the downstream Pacific region, respectively. These atmospheric circulation anomalies induced by the increased TPSH result in increasing the westerly winds over both EA and NP, which in turn increases dust emissions over the dust source, and dust transport over these two regions, as well as the regional dust cycles. These results suggest that addressing the East Asian dust changes in the future climates requires considering not only increasing greenhouse gas emissions but also the variations of the TP's heat source under global warming.

54 ENVIRONMENTAL SCIENCES↗