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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

The IMG/M data management and analysis system v.7: content updates and new features

The Integrated Microbial Genomes & Microbiomes system at the Department of Energy (DOE) Joint Genome Institute (JGI) continues to provide support for users to perform comparative analysis of isolate and single cell genomes, metagenomes, and metatranscriptomes. In addition to datasets produced by the JGI, IMG v.7 also includes datasets imported from public sources such as NCBI Genbank, SRA, and the DOE National Microbiome Data Collaborative (NMDC), or submitted by external users. In the past couple years, we have continued our effort to help the user community by improving the annotation pipeline, upgrading the contents with new reference database versions, and adding new analysis functionalities such as advanced scaffold search, Average Nucleotide Identity (ANI) for high-quality metagenome bins, new cassette search, improved gene neighborhood display, and improvements to metatranscriptome data display and analysis. Here, we also extended the collaboration and integration efforts with other DOE-funded projects such as NMDC and DOE Biology Knowledgebase (KBase).

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Challenges of standard halo models in constraining galaxy properties from cosmic infrared background anisotropies

The halo model, combined with halo occupation distribution (HOD) prescriptions, is widely used to interpret cosmic infrared background (CIB) anisotropies and extract physical information about star-forming galaxies and their connection to large-scale structures. Recent CIB-specific implementations of the halo model have adopted more physical parameterizations. However, the extent to which these models can reliably recover meaningful physical parameters remains uncertain. We assessed whether the current parameterization of CIB halo models is sufficient to recover astrophysical quantities, such as star formation efficiency, η(M h , z), and halo mass at which the peak of star formation efficiency occurs, M max , when fit to mock data. We also assessed whether discrepancies arise from assumptions about galaxy emission (the HOD ingredients) or from more fundamental components in the halo model, such as bias and matter clustering. We fit the M21 CIB HOD model, implemented within the halo model framework, to mock CIB power spectra and star formation rate density (SFRD) data generated from the SIDES-Uchuu simulation, and compared the best-fit parameters to the known simulation inputs. We then repeated the analysis using a simplified version of the simulation (SSU), explicitly designed to match the HOD assumptions. A detailed comparison of model and simulation outputs was carried out to trace the origin of observed discrepancies. While the M21 HOD model provides a good fit to the mock data, it failed to recover the intrinsic parameters accurately, particularly the halo mass at which star formation efficiency peaks. This mismatch persists even when fitting data generated with the same model assumptions. We find strong agreement (within 5%) in the emission-related components (SFRD, emissivity), but observe a scale- and redshift-dependent offset exceeding 20% in the two-halo term of the CIB power spectrum. This likely arises from limitations in the treatment of halo bias and matter clustering within the linear approximation. Additionally, incorporating scatter in the SFR–halo mass relation and the spectral energy distribution (SED) templates significantly affects the shot noise (∼50%), but has only a modest impact (less than 10%) on the clustered component. These results suggest that recovering physical parameters from CIB clustering requires improvements to the cosmological ingredients of the halo model framework, such as adopting scale-dependent halo bias and nonlinear matter power spectra in addition to careful modeling of emission physics.

cosmic background radiation↗
DOE OSTI2020

Accelerate M-TIP on GPUs and deploy to Summit and NERSC-9 (against simulated data) WBS 2.2.4.05 ExaFEL, Milestone ADSE13-199

We evaluated the orientation matching step in the M-TIP SPI workflow for potential offloading to accelerators. We ported the code to GPUs, benchmarked it, optimized and down-selected the best versions. The accelerated version of the orientation matching code that was developed at LANL (LANL GPU v3) is 34-55X faster than sequential, 2.4-4.9X faster than the fastest OpenMP open source version we found (FAISS OpenMP) and 1.5-4X faster than the fastest GPU open source version we found (FAISS GPU). Summit single-node GPU versions were somewhat faster than Cori GPU. Image size plays a role; mid-range image sizes take more time. The LANL CUDA multi-node, multi-GPU implementation shows mostly linear strong scaling. I/O also plays a large role; splitting data into parts improves read time and burst buffers dramatically improve read times. This work will be integrated into the M-TIP workflow as part of the next milestone ADSE13-193.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Thermal Tolerance Metrics for Freshwater Fish, CONUS, Version 1

This dataset is a compilation of 13 thermal response metrics for 834 freshwater fish species across the conterminous United States (CONUS). The data were extracted from six published sources, many of which are compilations of data from other sources. The data were harmonized for comparison, and additional variables were added to summarize the metrics. The dataset is presented as a spreadsheet containing 17 sheets. The first sheet (datasets) describes the data sources. Other sheets describe the source and compilation variables in detail.

13 HYDRO ENERGY↗
DOE OSTI2020

CSAPR2 CMAC 2.0 level c1 data.

Raw data from ARM precipitation radars must be corrected for atmospheric phenomena and instrument characteristics (e.g., attenuation, clutter) to retrieve precipitation properties. The Corrected Moments in Antenna Coordinates Version 2 (CMAC2) value-added product (VAP) is a set of algorithms and code that does such corrections, and it also retrieves precipitation quantities from the radar measurements. Similar to the X-SAPR radars at the ARM main site, C-SAPR2 radar data also needs corrections and improvements. CMAC 2.0 has been updated to work with the ARM C-SAPR 2 radar. Data and fields that have been processed to: correct for velocity aliasing, unfold and generate a cross-polarimetric phase difference that is monotonically increasing, removing impulses caused by non-uniform beam filling and phase shift on backscatter, recalculate specific differential phase using a 20-point Sobel filter on the aforementioned phase, correct for liquid path attenuation using the polarimetric signals, estimate rainfall rates at the gate using the specific attenuation. In addition, CMAC writes the data out into a community-standard format netCDF File using the CF/Radial conventions. The data are therefore compatible with new and existing National Center for Atmospheric Research (NCAR) tools such as RadXConvert for converting to a variety of popular file formats.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Characterization of the Sulfur-Saturated Melt Versions of the LAW HPVR Glasses

This report provides the results from the chemical analyses of a sulfur-saturated melt versions of the Low-Activity Waste High PCT and VHT Response study glasses, which are a series of simulated nuclear waste glasses designed and fabricated at Pacific Northwest National Laboratory. These data will be used in the development, validation, and implementation of enhanced property/composition models for waste glass vitrification at Hanford. Chemical analyses were performed on a representative sample of each of the sulfur-saturated melt versions of the glasses to allow for comparisons with targeted compositions, as well as the measured compositions of the quenched glasses. The relative differences between the targeted and measured concentrations of B 2 O 3 , K 2 O, Li 2 O, V 2 O 5 , and ZrO 2 for several of the glasses were greater than ±10%. The relative difference between the targeted and measured concentrations of SO 3 were greater than 10% for all study glasses. The wash solutions contained mainly sodium, sulfur, and sulfate ions.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Developing Ultrahigh-Resolution E3SM Land Model for GPU Systems

Designing and refactoring complex scientific code, such as the E3SM land model (ELM), for new computing architectures is challenging. This paper presents design strategies and technical approaches to develop a data-oriented, GPU-ready ELM model using compiler directives (OpenACC/OpenMP). We first analyze the datatypes and processes in the original ELM code. Then we present design considerations for ultrahigh-resolution ELM (uELM) development for massive GPU systems. These techniques include the global data-oriented simulation workflow, domain partition, code porting and data copy, memory reduction, parallel loop restructure and flattening, and race condition detection. We implemented the first version of uELM using OpenACC targeting the NVidia GPUs in the Summit supercomputer at Oak Ridge National Laboratory. During the implementation, we developed a software tool (named SPEL) to facilitate code generation, verification, and performance tuning using these techniques. The first uELM implementation for Nvidia GPUs on Summit delivered promising results: 1) over 98% of the ELM code was automatically generated and tuned by scripts. Most ELM modules had better computational performances than the original ELM code for CPUs. The GPU-ready uELM is more scalable than the CPU code on fully-loaded Summit nodes. Example profiling results from several modules are also presented to illustrate the performance improvements and race condition detection. The lessons learned and toolkit developed in the study are also suitable for further uELM deployment using OpenMP on the first US exascale computer, Frontier, equipped with AMD CPUs and GPUs.

Schwartz, Peter↗
DOE OSTI2020

The maximum carboxylation rate of Rubisco affects CO2 refixation in temperate broadleaved forest trees

Mesophyll resistance to CO 2 diffusion (rm) and the maximum carboxylation rate of Rubisco (Vcmax) affect photosynthetic rates, and can potentially also influence the percentage of respiratory and photorespiratory CO 2 being refixated (Pr) by mesophyll cells. Here we investigated how various leaf anatomical traits (e.g. leaf mass per area [LMA] and leaf dry matter content [LDMC]) influenced rm in leaves of mature forest trees. We further explored how rm and Vcmax in turn affected Pr, and if these traits varied among species and leaves along a light gradient. Photosynthetic CO 2 response of leaves grown in high-, medium-, and low-light environments was measured, from Pinus sylvestris [Scots pine], Picea abies [Norway spruce], Quercus robur [English oak], and Betula pendula [Silver birch] in southern Sweden. A modified version of the Farquhar-von Caemmerer-Berry model was fitted to the leaf gas exchange data to estimate Vcmax, rm and Pr. We found that of all leaf traits measured, only LMA for Q. robur was significantly higher in leaves from high-light environments. When comparing species, both rm and LMA were significantly higher in the conifers, and rm had a negative correlation with Vcmax. We found that Pr was similar between different species and functional groups, with an average of 73.2% (and SD of ±10.4) across all species. There was a strong, positive correlation between Pr and Vcmax in broadleaves, and we hypothesise that this effect might derive from a higher CO 2 drawdown near Rubisco in leaves with high Vcmax.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

SARS-CoV-2 wastewater variant surveillance: pandemic response leveraging FDA’s GenomeTrakr network

ABSTRACT Wastewater surveillance has emerged as a crucial public health tool for population-level pathogen surveillance. Supported by funding from the American Rescue Plan Act of 2021, the FDA‘s genomic epidemiology program, GenomeTrakr, was leveraged to sequence SARS-CoV-2 from wastewater sites across the United States. This initiative required the evaluation, optimization, development, and publication of new methods and analytical tools spanning sample collection through variant analyses. Version-controlled protocols for each step of the process were developed and published on protocols.io. A custom data analysis tool and a publicly accessible dashboard were built to facilitate real-time visualization of the collected data, focusing on the relative abundance of SARS-CoV-2 variants and sub-lineages across different samples and sites throughout the project. From September 2021 through June 2023, a total of 3,389 wastewater samples were collected, with 2,517 undergoing sequencing and submission to NCBI under the umbrella BioProject,PRJNA757291. Sequence data were released with explicit quality control (QC) tags on all sequence records, communicating our confidence in the quality of data. Variant analysis revealed wide circulation of Delta in the fall of 2021 and captured the sweep of Omicron and subsequent diversification of this lineage through the end of the sampling period. This project successfully achieved two important goals for the FDA’s GenomeTrakr program: first, contributing timely genomic data for the SARS-CoV-2 pandemic response, and second, establishing both capacity and best practices for culture-independent, population-level environmental surveillance for other pathogens of interest to the FDA. IMPORTANCE This paper serves two primary objectives. First, it summarizes the genomic and contextual data collected during a Covid-19 pandemic response project, which utilized the FDA’s laboratory network, traditionally employed for sequencing foodborne pathogens, for sequencing SARS-CoV-2 from wastewater samples. Second, it outlines best practices for gathering and organizing population-level next generation sequencing (NGS) data collected for culture-free, surveillance of pathogens sourced from environmental samples.

Microbiology↗
DOE OSTI2022

ESS-DIVE Reporting Format for Sample-based Water and Soil Chemistry Measurements

The ESS-DIVE (Environmental Systems Science Data Infrastructure for a Virtual Ecosystem) reporting format for sample-based water and soil chemistry measurements are written guidelines and spreadsheet templates, that facilitate archiving water/soil/sediment chemistry data. The templates and terminology lists provided as part of the reporting format can help organize data and potentially enable data reuse.The reporting format consists of a general instructions file (instructions.md) as well as more detailed instructions files for each template (files beginning “Detailed_Instructions_*.md). The “examples” folder includes an example of each data template with just the limited set of required fields filled out as well as other examples with both required and optional fields complete.The 'templates' folder contains CSV templates for data, methods, and terminology file templates. Similar to the examples folder, the blank templates are provided with versions for required fields only as well as required and optional fields. Lastly, the term list folder provides common terminology used in each of the templates as well as a definition and any constraints for the fields.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Leaf phenology data at The Morton Arboretum Forestry Plots 2019-2023

We are collecting long-term leaf phenology data at The Morton Arboretum to determine seasonal patterns of leaf production in trees. This data on leaf phenology will be integrated with other ongoing data streams to create a connection between above- and below-ground tree processes. This data package contains raw and smooth outputs from phenology data, as well as extracted phenophase dates (i.e., start, peak, and end of season): the raw and smooth outputs from the PhenoCam GUI can be found in the "leafRaw.csv" and "leafSmooth.csv" files, respectively, and the extracted phenophase dates can be found in the "leafPhenophaseDates2019-2023.csv" file. Extracted phenophase dates for evergreen species in 2023 are currently unavailable, and the files will be updated once they are extracted. Additional information on units and other file-level metadata can be found within each data file's respective data dictionary, and metadata for each of the 23 surveyed plots can be found within the "Location_metadata.csv" file. While the "leafRaw.csv" and the "leafSmooth.csv" files contain all data for all species, the "leafPhenophaseDates2019-2023.csv" file currently excludes the dates for evergreen species in 2023. Another version of the file will be added as those dates are extracted.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

User Manual for MC 2 -3 Gamma Library Generation

This report provides the documentation for the revised procedure to generate the MC 2 -3 gamma library with the latest versions of PreGAMMA and GenGAMMA which have recently been updated to fix the program errors and inconsistent data processing for some isotopes identified in a recent verification and validation study of the MC 2 -3 gamma library. A few associated errors associated with gamma processing were also identified and fixed in the MC 2 -3 code. Addressing the changes in MC 2 -3, the procedure to generate the PMATRX and GAMISO datasets is discussed as well. The input data of PreGAMMA and GenGAMMA are discussed in detail using sample input data. In addition, the structure and formats of the MC 2 -3 gamma library are provided in detail.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Data From: Influence of Hydrological Perturbations and Riverbed Sediment Characteristics on Hyporheic Zone Respiration of CO2 and N-2, Journal of Geophysical Research-Biogeosciences

This data package contains pumping data (.txt), parameter matrices, and R code (.R, .RData) to perform bootstrapping for parameter selection for the bioclogging model development. The pumping data were collected from the Russian River Riverbank Filtration site located in Sonoma County, California from 2010-2017 from three riverbank collection wells located alongside the study site. The pumping data is directly correlated with water table oscillations, so the code performs these correlations and simulates stochastic versions of water table oscillations. See Metadata Description.pdf for full details on dataset production. This dataset must be used with the R programming language. This dataset and R code is associated with the publication "Influence of Hydrological Perturbations and Riverbed Sediment Characteristics on Hyporheic Zone Respiration of CO2 and N-2"This research was supported by the Jane Lewis Fellowship from the University of California, Berkeley, the Sonoma County Water Agency (SCWA), the Roy G. Post Foundation Scholarship, the U.S. Department of Energy, Office of Science Graduate Student Research (SCGSR) Program, U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research under award DE-AC02-05CH11231, and the UFZ-Helmholtz Centre for Environmental Research, Leipzig, Germany.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Disentangling the chemistry and transport impacts of the quasi-biennial oscillation on stratospheric ozone

The quasi-biennial oscillation (QBO) in tropical winds perturbs stratospheric ozone throughout much of the atmosphere via changes in transport of ozone and other trace gases, as well as via temperature changes, both of which alter ozone chemistry. Attributing these causes of QBO–ozone variability may provide insights into model-to-model differences that contribute to ozone simulation. Here we develop a novel metric of steady-state ozone (SSO) to separate these effects: SSO calculates the local steady-state response of ozone due to the changes in temperature, chemical species, and overhead ozone column; the response due to circulation change is presumed when SSO shows no response. It is applied to the nudged Department of Energy's Energy Exascale Earth System Model version 2 (E3SMv2) with interactive ozone chemistry to demonstrate its validity. The E3SMv2 simulations nudged to reanalysis data produced reasonable wind and ozone patterns, especially in the tropics. Consistent with previous studies, we find clear demarcations with pressure. Ozone perturbations in the upper stratosphere (<6 hPa) are predicted by temperature changes; those between 6 and 20 hPa are predicted by NO y changes, and those in the lower stratosphere show no temperature or NO y response and are presumably driven by circulation changes. These results are important for diagnosing model-to-model discrepancy in QBO–ozone response and enhancing the reliability of ozone projections.

Xie, Jinbo [Lawrence Livermore National Laboratory↗
DOE OSTI2022

End-to-end Analytics for Grid Arch Design & All-hazard Assessment

Resiliency, reliability, and security of the next-generation smart grid depend upon leveraging advanced communication and computing technologies, integrating them with physical power systems, and developing real-time, fast, data-based applications to help in wide-area monitoring and control of the grid. Using a high sampling data rate from phasor measurement units (PMUs) to develop applications has opened the door to achieving the next-generation grid requirements. The North American Synchrophasor Initiative Network (NASPlnet) was developed in 2007-09 to create a standard and guide for PMU data exchanges. With the advancement in both networking and grid requirements, it is necessary to evaluate the performance of different NASPInet versions and their impact on applications. Therefore, we need a cyber-power cosimulation framework that supports very large-scale co-simulation capable of running in parallel, high-performance computing platforms and capturing real-life network behavior. This work presents a cyber-physical co-simulation testbed using NS3 to model the communication network, GridPACK to model the power grid, and HELICS as a co-simulation engine. Comparative analysis of latency in synchrophasor networks and a performance evaluation of a power system stabilizer application based on PMU data in an Institute of Electrical and Electronics Engineers 39-bus test system is presented using this co-simulation testbed.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

STAT7 v2.0 Verification and Validation Report

This report documents the software testing which has been performed for STAT7 Version 2.0 (hereafter STAT7 v2.0), a code for the statistical propagation of uncertainties in steady-state thermal hydraulics (TH) analysis of plate-fueled research and test reactors. The key capabilities addressed in this testing were selected based on the use of the software for analysis work supporting the conversion to low-enriched uranium fuel of U.S. High-Performance Research Reactors (USHPRR) such as the Massachusetts Institute of Technology Research Reactor (MITR-II). This testing scope includes comparison of the code’s statistical processing capabilities using statistical tests, comparison of coolant property evaluations to NIST data tables, and systematic comparison of key TH solver capabilities to the results of hand calculations and to predictions from PLTEMP/ANL Version 4.4. The

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

STAT7 v1.2 Verification and Validation Report

This report documents the software testing which has been performed for the STAT7 Version 1.2 (hereafter STAT7 v1.2) software, a code for the statistical propagation of uncertainties in steady-state thermal hydraulics (TH) analysis of plate-fueled research and test reactors. The key capabilities addressed in this testing were selected based on the use of the software for analysis work supporting the conversion to low-enriched uranium fuel of U.S. High-Performance Research Reactors (USHPRR) such as the Massachusetts Institute of Technology Research Reactor (MITR-II). This testing scope includes comparison of the code’s statistical processing capabilities using statistical tests, comparison of coolant property evaluations to NIST data tables, and systematic comparison of key TH solver capabilities to the results of hand calculations and to predictions from PLTEMP/ANL Version 4.4. The good agreement achieved in this testing campaign, within the acceptance criteria of a 1% relative difference, also demonstrates that these capabilities have been implemented in STAT7 v1.2 correctly.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

WELLS Database

The Wellbore Exploration and Location Logistic System (WELLS) is a living national wellbore database - created and maintained by the National Energy Technology Laboratory (NETL). This resource contains more than seven million public wellbore records from state, federal, and tribal resources. Sourced from over 65 authoritative, yet disparate resources, the WELLS Database combines and synthesizes well data from oil, gas, underground injection, research, geothermal, geotechnical, groundwater and other types of wells in a single, unified system. This resource can be explored and visualized through the WELLS Interactive Application, also on EDX: https://edx.netl.doe.gov/dataset/wells-interactive-application The WELLS Database (formerly titled CO2-Locate) is an integrated national well dataset, representing open-source wellbore data from disparate state, tribal, and federal entities. The database provides publicly available well header data with key attributes such as well age, depth, and status. The database contains a fully integrated CSV file with all values in numerical columns, such as depth, converted into numbers. This version has a NETL derived API (American Petroleum Institute) number column and has been handled for redundancies, resulting in one record for every unique API number. The database also contains a fully integrated CSV file, where all original data are kept as text values. Additionally, the database includes a shapefile containing key attributes and coordinates from the integrated dataset, reformatted public wells CSV files, and a proprietary well density grid shapefile. Notes for consideration: The WELLS Database will be updated periodically with new datasets and information. A field dictionary with field (i.e., attribute) coverage across acquired public well resources, and the resulting integrated public well datasets are available in the spreadsheet, WELLS_Field_Dictionary.xlsx. Summary layers provided in this database are derived from proprietary layers and do not always contain key features (status, type, true vertical depth, or spud year) and therefore might not be shown when data are queried for those features.

AS↗