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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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At least 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Sharing is Caring: A Practical Guide to FAIR(ER) Open Data Release

This is a two hour version of the FAIR(ER) tutorial we released at Barcelona 9/24. SAND2024-12152C. The only modifications were largely deletions, which don't require additional review. The one key difference that actually has changed material is in the Language section for Equitable Accessibility, which is almost word for word the same as previously approved SAND2025-04087W which is the website version of the presentation.

Henriksen, Amelia [Sandia National Laboratories (S↗
DOE OSTI2024

MIBiG 4.0: advancing biosynthetic gene cluster curation through global collaboration

Specialized or secondary metabolites are small molecules of biological origin, often showing potent biological activities with applications in agriculture, engineering and medicine. Usually, the biosynthesis of these natural products is governed by sets of co-regulated and physically clustered genes known as biosynthetic gene clusters (BGCs). To share information about BGCs in a standardized and machine-readable way, the Minimum Information about a Biosynthetic Gene cluster (MIBiG) data standard and repository was initiated in 2015. Since its conception, MIBiG has been regularly updated to expand data coverage and remain up to date with innovations in natural product research. Here, we describe MIBiG version 4.0, an extensive update to the data repository and the underlying data standard. In a massive community annotation effort, 267 contributors performed 8304 edits, creating 557 new entries and modifying 590 existing entries, resulting in a new total of 3059 curated entries in MIBiG. Particular attention was paid to ensuring high data quality, with automated data validation using a newly developed custom submission portal prototype, paired with a novel peer-reviewing model. MIBiG 4.0 also takes steps towards a rolling release model and a broader involvement of the scientific community. MIBiG 4.0 is accessible online at https://mibig.secondarymetabolites.org/.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Integration of RNTuple in ATLAS Athena

After using ROOT’s TTree I/O subsystem for over two decades and storing more than an exabyte of compressed High Energy Physics (HEP) data, advances in technology have motivated a complete redesign, RNTuple, which breaks backward-compatibility to take better advantage of these storage options. The RNTuple I/O subsystem has been designed to address performance bottlenecks and other shortcomings of TTree. Specifically, RNTuple comes with an updated, more compact binary data format that can be stored both in ROOT files and natively in object stores. It is designed for modern storage hardware (e.g. high-throughput low-latency NVMe SSDs), and provides robust and easy to use interfaces. The binary format of RNTuple is scheduled to become production grade in 2024, and recently has become mature enough to start exploring the integration into software used by HEP experiments. In this contribution, we discuss the developments to support the features as required by the ATLAS analysis Event Data Model (EDM) in RNTuple, which will enable its integration into the Athena software framework. With these developments in place, we evaluate the performance of the current most recent versions of RNTuple-based ATLAS data sets and compare this to that of TTree.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

SDSS-IV MaNGA: pyPipe3D Analysis Release for 10,000 Galaxies

We present here the analysis performed using the pyPipe3D pipeline for the final MaNGA data set included in the Sloan Digital Sky Survey data release 17. This data set comprises more than 10,000 individual data cubes, being the integral field spectroscopic (IFS) galaxy survey with the largest number of galaxies. pyPipe3D processes the IFS data cubes to extract spatially resolved spectroscopic properties of both the stellar population and the ionized gas emission lines. A brief summary of the properties of the sample and the characteristics of the analyzed data are included. The article provides details of: (i) the analysis performed; (ii) a description of the pipeline; (iii) the adopted stellar population library; (iv) the morphological and photometric analysis; (v) the adopted data model for the spatially resolved properties derived; and (vi) the individual integrated and characteristic galaxy properties included in the final catalog. Comparisons with the results from a previous version of the pipeline for earlier data releases and from other tools using this data set are included. A practical example of how to use the full data set and the final catalog illustrates how to handle the delivered product. Our full analysis can be accessed and downloaded from our web page.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

iSPECTRON: a simulation interface for linear and nonlinear spectra with ab-initio quantum chemistry software

We introduce iSPECTRON, an open source (under the Educational Community License version 2.0) program that parses data from common quantum chemistry software (NWChem, OpenMolcas, Gaussian, Cobramm, etc.), produces the input files for the simulation of linear and nonlinear spectroscopy of molecules with the Spectron code, and analyzes the spectra with a broad range of tools. Vibronic spectra are expressed in term of the electronic eigenstates, obtained through quantum chemistry computations, and vibrational/bath effects are incorporated in the framework of the displaced harmonic oscillator model, where all required quantities are computed at the Franck-Condon point. The code capabilities are illustrated by simulating linear absorption, transient absorption and two dimensional electronic spectra of the pyrene molecule. Two levels of electronic structure theory, TDDFT (with NWChem) and RASSCF/RASPT2 (with OpenMolcas), are compared where possible. Acknowledgements: F.S., A.N., D.R.N., N.G., S.M, M.G. acknowledge support from the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division under Award Nos. DE-SC0019484, KC-030103172684. The Spectron code was developed with support from the National Science Foundation (Grant CHE- 1953045). This research benefited from computational resources provided by EMSL, a DOE Office of Science User Facility sponsored by the Office of Biological and Environmental Research and located at PNNL. PNNL is operated by Battelle Memorial Institute for the United States Department of Energy under DOE Contract No. DE-AC05-76RL1830.

Segatta, Francesco↗
DOE OSTI2026

Subseasonal Tropical Convection Characteristics in the Energy Exascale Earth System Model Version 2

Accurate simulation of subseasonal tropical moist convection remains a key challenge for Earth system models. The difficulties stem from the reliance of cumulus cloud processes on model parameterizations and the need to represent the multiscale nature of interactions among clouds, radiation, moisture, circulation, and surface energy fluxes. Equatorial convection drives circulation anomalies that can affect weather patterns and extremes globally, motivating efforts to better understand and simulate these tropical disturbances. Here, a detailed review of subseasonal tropical convective behavior as simulated in the Energy Exascale Earth System Model version 2 (E3SMv2) is presented, with comparison to its predecessor version 1 (E3SMv1) and reference data sets. Model structural changes to the deep convective trigger function and surface fluxes, along with parametric tuning of the cloud and microphysics schemes, together result in an improved depiction of organized tropical convection across scales. In particular, E3SMv2 exhibits a more realistic Madden‐Julian oscillation (MJO) and low‐frequency Kelvin waves—owing to a sharper time mean equatorial meridional moisture gradient and improved convection‐circulation coupling —as well as a better depiction of MJO Northern Hemisphere teleconnections. Despite these improvements, subseasonal precipitation variance continues to be strongly underestimated in E3SMv2. Use of a cloud plume model also reveals that the coupling between daily averaged tropical precipitation and lower tropospheric instability in E3SM is inconsistent with observations, a bias that could potentially impact the simulation of intraseasonal disturbances.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

EXCHANGE Campaign 2 - Microbial Biomass Collapse (EC2-MBC): Carbon Availability Under Prolonged Flooding in Mid-Atlantic and Great Lakes Coastal Ecosystems

Our collective research focus is on investigating the interaction between carbon availability and microbial demands during prolonged flooding. Through laboratory experiments utilizing freshly collected soil samples from diverse transition zone environments, we aim to simulate flooding and understand the mechanisms governing carbon cycling under anoxic conditions. Our primary objective is to elucidate how carbon becomes available to microbes and how they utilize it, discerning between maintenance and investment processes. By examining soils from regions with differing native redox conditions, our aim is to gain comprehensive insights into carbon dynamics across various soil types. Future data types will be added to the ESS-DIVE data package as they are completed and will be version-controlled in the Change History section of EC2_MBC_README.pdf. This data package includes: EC2_MBC_README.pdf flmd.csv dd.csv EC2_SampleIdentificationKey.csv EC2_SoilMoistureKey.csv Processed_GHGFlux_Entisols.csv Processed_GHGFlux_Inceptisols.csv Processed_GHGFlux_Ultisols.csv Processed_Porewater_Iron_II.csv Processed_Porewater_Nutrients.csv Processed_Porewater_Sulfate.csv Processed_Probe_Measurements.csv Processed_Soil_HydrolyticEnzymes.csv Processed_Soil_MicrobialCN.csv Processed_Soil_NPOC_TN_SaltExtracted.csv Processed_Soil_NPOC_TN_WaterExtracted.csv Processed_Soil_Nutrients_OlsenPExtracted.csv Processed_Soil_Nutrients_SaltExtracted.csv Processed_Soil_Nutrients_WaterExtracted.csv Processed_DO_Probe.zip Processed_Temperature_Probe.zip

Carbon Cycling↗
DOE OSTI2020

AmeriFlux US-Jo2 Jornada Experimental Range Mixed Shrubland

This is the AmeriFlux version of the carbon flux data for the site US-Jo2 Jornada Experimental Range Mixed Shrubland. Site Description - The study area is in a mixed shrub-dominated portion of the San Andres Mountain piedmont, along the southeastern boundary of the Jornada Experimental Range (JER) in southern New Mexico, USA. The JER was established in 1912 as a response of scientis and landowner to the shrub enchroachment and loss of grasses due to extended grazing during the late 1800s, fire and climate change. JER has been a NSF LTER site since 1981.The study site is a small watershed (4.67 ha) in an alluvial slope or bajada, with three major areas (north-, south- and west-facing hillslopes) with low to moderate slopes (∼0–6°) with a mean slope of 2.6°, while the channel banks and propagating channel heads have higher slopes (∼15–25°). The site is charactetized by a high bare soil coverage (∼66%), ∼28% of mixed shrubs coverage and a low coverage of grass (∼4%) and weeds (∼2%).

Vivoni, Enrique R.↗
DOE OSTI2020

AmeriFlux CA-MA1 Manitoba Agricultural Site 1

This is the AmeriFlux version of the carbon flux data for the site CA-MA1 Manitoba Agricultural Site 1. Site Description - This field had been in perennial forages (grass with small amount of legume) for several decades. Field size = 39 ha. In 2008, the producer tilled the land so that part of the summer had perennial forage, and the remainder was fallow. In 2009, oats were planted. In 2010, canola was planted. In 2011, oats were planted. See Table 3 in Taylor et al (2013) describing site management practices.

Amiro, Brian↗
DOE OSTI2020

AmeriFlux CA-MA2 Manitoba Agricultural Site 2

This is the AmeriFlux version of the carbon flux data for the site CA-MA2 Manitoba Agricultural Site 2. Site Description - This field had been in perennial forages (grass with small amount of legume) for several decades. Field size = 60 ha. In 2009, the producer tilled the land so that part of the summer had perennial forage, and the remainder was fallow (see effect outlined by Fraser and Amiro 2013). In 2010, oats were planted. In 2011, the field was too wet to plant and remained fallow. Cattle were in the field for a brief period in June 2011to feed on weeds. See Table 2 in Taylor et al (2013) describing site management practices.

Amiro, Brian↗
DOE OSTI2020

AmeriFlux CA-MA3 Manitoba Agricultural Site 3

This is the AmeriFlux version of the carbon flux data for the site CA-MA3 Manitoba Agricultural Site 3. Site Description - This field has been in perennial forages (grass (timothy, fescue, brome) with small amount of legume) for several decades. Field size = 40 ha. Hay was harvested once each year. Cattle were placed in the field each autumn to graze. See Table 1 in Taylor et al (2013) describing site management practices.

Amiro, Brian↗
DOE OSTI2020

AmeriFlux US-ASM USSL San Joaquin Valley Almond Medium Salinity

This is the AmeriFlux version of the carbon flux data for the site US-ASM USSL San Joaquin Valley Almond Medium Salinity. Site Description - almond orchard in San Joaquin Valley. Different water source and water quality than adjacent site US-SAH

Anderson, Ray G.↗
DOE OSTI2020

AmeriFlux US-UiA University of Illinois Switchgrass

This is the AmeriFlux version of the carbon flux data for the site US-UiA University of Illinois Switchgrass. Site Description - Field was treated with Potash, lime and diammonium phosphate before planting. Herbicide application included 2,4-D for 2008, 2009. 56 kg/ha nitrogen applied in 2010, 2011, 2012, 2013, 2014, 2016. Measurements were suspended on June 14, 2016 and resumed on May 28, 2024.

Bernacchi, Carl↗
DOE OSTI2020

AmeriFlux CA-CF2 Churchill Fen Site 2

This is the AmeriFlux version of the carbon flux data for the site CA-CF2 Churchill Fen Site 2. Site Description - Fen site dominated by sedges. Flat, high water table. Frozen for long periods each year. Close to Arctic Ocean coast so affected by land/sea breezes and coastal weather.

Tenuta, Mario↗
DOE OSTI2020

AmeriFlux US-HBK Hubbard Brook Experimental Forest

This is the AmeriFlux version of the carbon flux data for the site US-HBK Hubbard Brook Experimental Forest. Site Description - Mixed forest dominated by BEAL, ACRU with lesser components of PIRU. Gently sloped plateau within mountainous terrain.

Kelsey, Eric↗