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At least 73 records · Page 4

Real-time GIS Programming and Geocomputation

Streaming data generated continuously from sensor networks, mobile devices, social media platforms and other edge devices have posed significant challenges to existing computing platforms for achieving both high throughput and low latency data processing in addition to scalable computing. This entry introduces a real-time computing and programming platform for time-critical GIS (Geographic Information System) applications. In this platform, advanced streaming data processing software, such as Apache Kafka and Spark Streaming, are integrated to enable data analytics in real-time. This computing platform can also be extended to integrate GeoAI (Geospatial Artificial Intelligence) based machine learning models to leverage both historical and streaming data to achieve real-time prediction and intelligent geospatial analytics. Two real-time geospatial applications in terms of flood simulation and climate data visualization are introduced to demonstrate how real-time programming and computing can help tackle real-world problems with important societal impacts.

Liu, Yan↗

WA-Omic_LA.1.0 - Quantitative Lipidomics, Metabolomics, and Sequencing (16S/ITS) Publication Data DOI Package

Corresponding Data Publication: "Rapid remodeling of the soil lipidome in response to a drying-rewetting event." This study reveals specific changes in lipids and metabolites that are indicative of stress adaptation, substrate use, and cellular recovery during soil drying and subsequent rewetting. Drought induced nutrient limitation was reflected in the lipidome and polar metabalome, both of which rapidly shifted (within hours) upon rewet. Reduced nutrient access in dry soil caused the replacement of glycerophospholipids with phosphorus-free lipids and impeded resource-expensive osmolyte accumulation. Elevated levels of ceramides and lipids with long chain polyunsaturated fatty acids, in dry soil suggests that lipids play an important role in fungal drought tolerance. Increasing abundance of bacterial glycerophospholipids and triacylglycerols with fatty acids typical of bacteria and polar metabolites suggest metabolic recovery in representative bacteria once the environmental conditions are conducive for growth. These results underscore the importance of the soil lipidome as a robust indicator of microbial community responses, especially at the short time scales of cell-environment reactions. Data package contents reported here are the first version and contain pre- and post-processed data acquisition and subsequent downstream analysis files using various data source instrument method techniques and Mass Spectroscopy (MS) EMSL capabilities. This publication data package DOI is a comprehensive high-throughput multi-omics data lifecycle collection containing processed data method metadata. Support files include additional data download “Read Me” file containing data descriptor information and data source application ontologies (see data dictionary). Reported data download contents are structured for compliance with project data sharing guidelines, community standards initiatives, and sponsor stakeholder policies supporting FAIR data principles. For increased data availability and interoperability, GC-MS/LC-MS mass spectrometry datasets (Thermo .raw ) were deposited at the MassIVE database repository under the related data accession MSV000086931 and can be accessed by using the API. Statistical data processing software, analysis tools, and data workflows are listed below corresponding to the host repository long-term location.

Amplicon sequencing 16S ITS LC-MS/MS lipidomics mu↗

WA-Omic_LA.1.0 - Quantitative Lipidomics, Metabolomics, and Sequencing (16S/ITS) Publication Data DOI Package

Corresponding Data Publication: "Rapid remodeling of the soil lipidome in response to a drying-rewetting event." This study reveals specific changes in lipids and metabolites that are indicative of stress adaptation, substrate use, and cellular recovery during soil drying and subsequent rewetting. Drought induced nutrient limitation was reflected in the lipidome and polar metabalome, both of which rapidly shifted (within hours) upon rewet. Reduced nutrient access in dry soil caused the replacement of glycerophospholipids with phosphorus-free lipids and impeded resource-expensive osmolyte accumulation. Elevated levels of ceramides and lipids with long chain polyunsaturated fatty acids, in dry soil suggests that lipids play an important role in fungal drought tolerance. Increasing abundance of bacterial glycerophospholipids and triacylglycerols with fatty acids typical of bacteria and polar metabolites suggest metabolic recovery in representative bacteria once the environmental conditions are conducive for growth. These results underscore the importance of the soil lipidome as a robust indicator of microbial community responses, especially at the short time scales of cell-environment reactions. Data package contents reported here are the first version and contain pre- and post-processed data acquisition and subsequent downstream analysis files using various data source instrument method techniques and Mass Spectroscopy (MS) EMSL capabilities. This publication data package DOI is a comprehensive high-throughput multi-omics data lifecycle collection containing processed data method metadata. Support files include additional data download “Read Me” file containing data descriptor information and data source application ontologies (see data dictionary). Reported data download contents are structured for compliance with project data sharing guidelines, community standards initiatives, and sponsor stakeholder policies supporting FAIR data principles. For increased data availability and interoperability, GC-MS/LC-MS mass spectrometry datasets (Thermo .raw ) were deposited at the MassIVE database repository under the related data accession MSV000086931 and can be accessed by using the API. Statistical data processing software, analysis tools, and data workflows are listed below corresponding to the host repository long-term location.

Amplicon sequencing 16S ITS LC-MS/MS lipidomics mu↗

WA-Omic_LA.1.0 - Quantitative Lipidomics, Metabolomics, and Sequencing (16S/ITS) Publication Data DOI Package

Corresponding Data Publication: "Rapid remodeling of the soil lipidome in response to a drying-rewetting event." This study reveals specific changes in lipids and metabolites that are indicative of stress adaptation, substrate use, and cellular recovery during soil drying and subsequent rewetting. Drought induced nutrient limitation was reflected in the lipidome and polar metabalome, both of which rapidly shifted (within hours) upon rewet. Reduced nutrient access in dry soil caused the replacement of glycerophospholipids with phosphorus-free lipids and impeded resource-expensive osmolyte accumulation. Elevated levels of ceramides and lipids with long chain polyunsaturated fatty acids, in dry soil suggests that lipids play an important role in fungal drought tolerance. Increasing abundance of bacterial glycerophospholipids and triacylglycerols with fatty acids typical of bacteria and polar metabolites suggest metabolic recovery in representative bacteria once the environmental conditions are conducive for growth. These results underscore the importance of the soil lipidome as a robust indicator of microbial community responses, especially at the short time scales of cell-environment reactions. Data package contents reported here are the first version and contain pre- and post-processed data acquisition and subsequent downstream analysis files using various data source instrument method techniques and Mass Spectroscopy (MS) EMSL capabilities. This publication data package DOI is a comprehensive high-throughput multi-omics data lifecycle collection containing processed data method metadata. Support files include additional data download “Read Me” file containing data descriptor information and data source application ontologies (see data dictionary). Reported data download contents are structured for compliance with project data sharing guidelines, community standards initiatives, and sponsor stakeholder policies supporting FAIR data principles. For increased data availability and interoperability, GC-MS/LC-MS mass spectrometry datasets (Thermo .raw ) were deposited at the MassIVE database repository under the related data accession MSV000086931 and can be accessed by using the API. Statistical data processing software, analysis tools, and data workflows are listed below corresponding to the host repository long-term location.

Amplicon sequencing 16S ITS LC-MS/MS lipidomics mu↗

Rotating-Coil Measurement System for Small-Bore-Diameter Magnet Characterization

Rotating-coil measurement systems are widely used to measure the multipolar fields of particle accelerator magnets. This paper presents a rotating-coil measurement system that aims at providing a complete data set for the characterization of quadrupole magnets with small bore diameters (26 mm). The PCB magnetometer design represents a challenging goal for this type of transducer. It is characterized by an aspect ratio 30% higher than the state of the art, imposed by the reduced dimension of the external radius of the rotating shaft and the necessity of covering the entire magnet effective length (500 mm or higher). The system design required a novel design for the mechanical asset, also considering the innovation represented by the commercial carbon fiber tube, housing the PCB magnetometer. Moreover, the measurement system is based primarily on standard and commercially available components, with simplified control and post-processing software applications. The system and its components are cross-calibrated using a stretched-wire system and another rotating-coil system. The measurement precision is established in a measurement campaign performed on a quadrupole magnet characterized by an inner bore diameter of 45 mm.

42 ENGINEERING↗

The LSST DESC DC2 Simulated Sky Survey

Here, we describe the simulated sky survey underlying the second data challenge (DC2) carried out in preparation for analysis of the Vera C. Rubin Observatory Legacy Survey of Space and Time (LSST) by the LSST Dark Energy Science Collaboration (LSST DESC). Significant connections across multiple science domains will be a hallmark of LSST; the DC2 program represents a unique modeling effort that stresses this interconnectivity in a way that has not been attempted before. This effort encompasses a full end-to-end approach: starting from a large N-body simulation, through setting up LSST-like observations including realistic cadences, through image simulations, and finally processing with Rubin's LSST Science Pipelines. This last step ensures that we generate data products resembling those to be delivered by the Rubin Observatory as closely as is currently possible. The simulated DC2 sky survey covers six optical bands in a wide-fast-deep area of approximately 300 deg 2 , as well as a deep drilling field of approximately 1 deg 2 . We simulate 5 yr of the planned 10 yr survey. The DC2 sky survey has multiple purposes. First, the LSST DESC working groups can use the data set to develop a range of DESC analysis pipelines to prepare for the advent of actual data. Second, it serves as a realistic test bed for the image processing software under development for LSST by the Rubin Observatory. In particular, simulated data provide a controlled way to investigate certain image-level systematic effects. Finally, the DC2 sky survey enables the exploration of new scientific ideas in both static and time domain cosmology.

79 ASTRONOMY AND ASTROPHYSICS↗

Mini Micropulse Lidar measurements in vertical and scanning modes

The Atmospheric Radiation Measurement (ARM) program operates ten Sigma Space (currently Droplet Measurement Technologies/DMT) micropulse lidar systems (MPL-4B-IDS/POL-FS series), which detect the backscattered light in two orthogonal linear polarization channels allowing to distinguish between spherical (e.g. water) and non-spherical (e.g. ice) scattering particles. The ARM MPLs have been providing valuable measurements to the aerosol and cloud research community for well over a decade. DMT’s Mini-Micropulse lidar (MiniMPL) is a compact version of the standard MPL. It reduces the power-aperture product to minimize cost, size, weight, power requirements and has all the electronics integrated with optics in a single box. Although as a result, it has a lower detection range than the MPL, limiting the measurements to the troposphere, its performance is promised to match that of the standard MPL within the troposphere. The MiniMPL weighs 13 kg, and the complete system, consisting of an optical transceiver and a laptop running the data acquisition and post-processing software, fits in a storm case, allowing its transport on domestic or international flights. This can be especially valuable for short field campaigns or Intensive Operational Periods, where time is of the essence when replacing a faulty instrument. In addition, the scanning polarization lidar capability (MiniMPL-SCAN option) could be of great interest for satisfying ARM measurement needs for certain research topics related to clouds and precipitation. To evaluate its full potential in comparison with co-located remote sensing instruments including the ARM MPL-4B-IDS/POL-FS at SGP, a miniMPL was hosted at the ARM Southern Great Plains (SGP) mega-site in 2020 for approximately 3 months. During this time the miniMPL was tested in both vertical sampling and scanning modes.

54 ENVIRONMENTAL SCIENCES↗

Angular Correlation Date Measurements with the GeRMAC system

Advanced modeling and simulation efforts have improved at Idaho National Laboratory in recent years with a solid foundation of experimental results. Current computational methods represent significant modeling capabilities but are limited by the accuracy and availability of nuclear data. The creation of pre- and post-processing software tools to address these limitations is fundamental to the improvement of nuclear science modeling capacities. One aspect of predictive modeling tools deals with gamma-rays emitted from radionuclides, including fissile or fissionable material, fission products, or activation products, produced in reactor experiments or other neutron environments. The resulting radionuclides decay in unique ways, providing complications upon measurement as a result of random and cascade, or true, coincidence summing. These effects are not easily quantified during modeling efforts of gamma-ray source terms., The germanium rotational measurements for angular correlation (GeRMAC) system was built to quantify the relative angles for gamma rays emitted by radionuclides of interest to investigate true coincidence, or cascade, summing as well as the nuclear energy levels of decay schemes of interest. Proof of concept studies utilize a series of laboratory check sources to provide validity, and it will soon be used to perform the same measurements for fission products of interest. The resulting data can be used to implement into a Monte Carlo code, such as Geant4, to provide more precise gamma-ray source terms following irradiations of materials.

73 - NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Implementing the LSST Software Stack for DESGW processing and the Integration of Convolutional Neural Networks into the DESGW Pipeline

The Dark Energy Survey Gravitational Wave (DESGW) group strives to understand thelargescale structure of the universe and galaxies by looking for electromagnetic signatures intelescope images following gravitational wave detections. The DESGW group uses a processing pipeline to perform difference imaging to look for potential candidates. In order to perform these searches more effectively, we first explored using an alternative processing pipeline, the LSST Software Stack to analyze the telescope images. Because the LSST software stack is currently transitioning between its generation 2 and generation 3 system, we decided that while the software will be usable in the future once generation 3 is complete, at the moment its incompleteness makes it impractical to use. We then decided to work on improving the current pipeline by developing a module that integrates a Convolutional Neural Network (CNN) to test difference imaging products for bad subtractions due to misalignment.

Navarro, Alexander↗

Experiences with a Flexible User Research Process to Build Data Change Tools

Scientific software development processes are understood to be distinct from commercial software development practices due to uncertain and evolving states of scientific knowledge. Sustaining these software products is a recognized challenge, but under-examined is the usability and usefulness of such tools to their scientific end users. User research is a well-established set of techniques (e.g., interviews, mockups, usability tests) applied in commercial software projects to develop foundational, generative, and evaluative insights about products and the people who use them. Currently these approaches are not commonly applied and discussed in scientific software development work. The use of user research techniques in scientific environments can be challenging due to the nascent, fluid problem spaces of scientific work, varying scope of projects and their user communities, and funding/economic constraints on projects.In this paper, we reflect on our experiences undertaking a multi-method user research process in the Deduce project. The Deduce project is investigating data change to develop metrics, methods, and tools that will help scientists make decisions around data change. There is a lack of common terminology since the concept of systematically measuring and managing data change is under explored in scientific environments. To bridge this gap we conducted user research that focuses on user practices, needs, and motivations to help us design and develop metrics and tools for data change. This paper contributes reflections and the lessons we have learned from our experiences. We offer key takeaways for scientific software project teams to effectively and flexibly incorporate similar processes into their projects.

97 MATHEMATICS AND COMPUTING↗

How Can Construction Process Simulation Modeling Aid the Integration of Lean Principles in the Factory-Built Housing Industry?

New and existing factories that produce and deliver factory-built housing can benefit from construction process simulation modeling to explore the integration of Lean principles in their operations. Construction process simulation modeling provides digital or virtual recreations of the real-world factory environments to visualize, quantify, analyze, and optimize their underlying behavior, including factory productivity, material flow, labor dynamics, bottlenecks, and work scope. One of the key benefits of process simulation modeling is the ability to create and compare "what-if" scenarios, including integrating Lean principles such as reducing waste (for example, transportation, waiting), line balancing, and just-in-time concepts. In general, three process simulation methods are widely used: discrete event simulation (DES), agentbased modeling (ABM), and system dynamics (SD). Myriad process simulation software also is available, but depending on the industry, complexity of the system, and purposes of the simulation, some software might be more appropriate. Similar to how computer-aided design (CAD) software such as AutoCAD and Rhinoceros enable building design of modular or factory-built housing, process simulation modeling software such as jStrobe, ProModel, and AnyLogic can enable factory design of new and existing factories to deliver modular affordable housing at scale, as opposed to traditional site-built construction. Software with DES capabilities can help generate a process model that is a logical representation of resources and activities in a factory. Software with CAD-DES integration can leverage product-process data integration to help spatially visualize a DES model of the factory in the CAD environment. Software with multimethod simulation capabilities, widely used in the manufacturing industry, brings together DES, ABM, and SD in a single platform that allows visualization, quantification, analyses, and optimization at varying data fidelities. Near-real-time data from an existing factory can be directly plugged into multimethod simulation software so that the construction process simulation model is a near-accurate representation of the real-world factory conditions. This report provides insights into the use of simulation as an aid to integrate Lean concepts in factories, including guidelines for selecting the appropriate process simulation modeling method and software. These insights have been developed as part of ongoing process simulation modeling research, development, and demonstration projects at the U.S. Department of Housing and Urban Development, the U.S. Department of Energy, and the National Renewable Energy Laboratory focused on how process simulation models can enable better integration of resilience, energy efficiency, and low-carbon design strategies.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Human Host Cellular Response to HCoV-229E Infection Proteomics (ACS-JM-DP2)

The purpose of this experiment was to evaluate the human host cellular response to wild-type Human coronavirus strain 229E (HCoV-229E) infection. Sample data was obtained for mock and infected immortalized human lung epithelial cells (A549) (MOI 5) nuclear extracts, immortalized human lung fibroblasts cells (MRC5) (MOI5) nuclear extracts, and primary human airway epithelial (HAE) (MOI 3) cells from lung tissue and processed for proteome analysis. Processed datasets are openly accessible from the download button and contain secondary processed proteomic results files and supporting metadata materials. Experimental proteomics samples were prepared using Limited Proteolysis (LiP) methods for Label-free quantification (LFQ) and global proteomic evaluation. Sample data was acquired using a Q-Exactive HF-X mass spectrometer and was processed and compiled using MaxQuant software (v.1.6.17.0). Processed proteomic data downloads include a sample naming key, processed MaxQuant results/parameters, and protein annotated relative abundance files. See corresponding primary data accessions below and Viral Experiment LiP Analysis source code supporting data transparency and reuse. Experimental transcriptomics samples were collected in parallel and processed for RNA sequencing (RNA-Seq) as summarized under ACS-DP1 (https://data.pnnl.gov/group/nodes/dataset/34069).

59 BASIC BIOLOGICAL SCIENCES↗

Open-Source Architecture for Multi-Party Update Verification for Data Acquisition Devices

Power grids are integral parts of modern daily life and are increasingly under cyberattack. Common software update processes for grid control devices rely on only one organization to provide verification. This paper roposes a multi-signature software update process to help better secure data acquisition devices from malicious actions by using standard cryptosystems such as TLS. A prototype system build on Linux and off-the-shelf hardware has shown successful update and attack prevention with our customized multi-party update software.

Newberg, Benjamin↗

Production processing and workflow management software evaluation in the DUNE collaboration

The Deep Underground Neutrino Experiment (DUNE) will be theworld’s foremost neutrino detector when it begins taking data in the mid-2020s.Two prototype detectors, collectively known as ProtoDUNE, have begun tak-ing data at CERN and have accumulated over 3 PB of raw and reconstructeddata since September 2018. Particle interaction within liquid argon time projec-tion chambers are challenging to reconstruct, and the collaboration has set upa dedicated Production Processing group to perform centralized reconstructionof the large ProtoDUNE datasets as well as to generate large-scale Monte Carlosimulation. Part of the production infrastructure includes workflow manage-ment software and monitoring tools that are necessary to eciently submit andmonitor the large and diverse set of jobs needed to meet the experiment’s goals.We will give a brief overview of DUNE and ProtoDUNE, describe the varioustypes of jobs within the Production Processing group’s purview, and discuss thesoftware and workflow management strategies are currently in place to meetexisting demand. We will conclude with a description of our requirements in aworkflow management software solution and our planned evaluation process.

Herner, Kenneth R.↗

Characterization of Soil and Rock Magnetic Properties along Multiple Hillslope Transects at Teller Road Site, Seward Peninsula, Alaska, 2018 and 2023

The magnetometer data was collected in multiple directions across the watershed hillslope at the NGEE Arctic Teller Road site at mile marker 27 (TL_MM27) on the Seward Peninsula, Alaska over multiple years in March 2018 and April 2023. The magnetic data were collected using a Geometrics Inc. G-858 gradiometer and G-857 base station in 2018 and the G-864 gradiometer and G857 base station in 2023. The data was collected (in all instances) by towing the gradiometer behind a snow machine around the watershed with the two sensors in a vertical profile with constant spacing during the continuous survey in that specific year. Magnetic total field measurements were collected by gradiometer and base station, and the data processing was performed in Geometrics MagMap2000 software. The processing steps were limited to removal of data spikes (despiking), reading dropouts, and correction/removal of bad GPS points. All offsets between sensors and GPS are stated within the data files and metadata, alongwith the processed and raw data. The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska.Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).In this data submission there are two sets of raw magnetic data (.bin and .stn for 2018 and base for 2023; raw rover mag for 2023 is in .csv) inside two .zip files that identify the year the mag data was collected. The data are proprietary format to Geometrics and can be opened and processed with MagMap2000 which can be downloaded for free at Geometrics website. There are also two processed data files *.csv for each year and two metadata files *.csv.

54 ENVIRONMENTAL SCIENCES↗

Safety Assurance of Software and Machine Learning Development for Nuclear Instrumentation and Controls

Digital instrumentation and control (DI&C) systems monitor and control parameters in nuclear power plants. Ensuring their safety is a critical part of ensuring overall plant safety. Nuclear power plant licensing generates thousands of safety documents that could be organized more effectively using a safety assurance case (SAC). We conducted a literature survey of SACs and created a SAC framework for DI&C software using Goal Structuring Notation (GSN). This framework focuses on four software development processes: management & assurance, pre-developed software (PDS) qualification, the Software Development Life Cycle (SDLC), and the Machine Learning Development Life Cycle (MLDLC). We organized our framework using a novel level structure that can be applied to other SACs to improve their clarity. Finally, we demonstrate how our framework can be incorporated as part of a SAC for a larger reactor system.

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗