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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 1,225 records · Page 68
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

A Methodology to Evaluate the Grid Reliability Impact of Oscillations Induced by Large Loads

The rapid growth of hyperscale AI data centers is bringing renewed attention to the reliability risk that sustained forced oscillations pose to bulk power systems, with cyclic computational workloads emerging as a new forcing source. Unlike the broadband, stochastic disturbances from traditional industrial loads such as arc furnaces, AI training and inference facilities can inject large active power swings concentrated at specific frequencies over extended durations - characteristics that existing grid planning practices do not account for. While the North American Electric Reliability Corporation (NERC) has recognized this gap and called for system-level studies of large load interconnections, no standardized methodology exists to screen, simulate, and quantify these risks at the planning stage. This report presents the Risk Assessment Tool for Large Load-induced Events (RATLLE), a Python-based, publicly available script suite developed at the Pacific Northwest National Laboratory to evaluate bulk power system reliability risks from data center-induced oscillations. RATLLE implements a three-module workflow: a screening module that identifies vulnerable interconnection locations and excitable system modes; a simulation module that models cyclic data center load behavior using a commercial positive sequence simulation platform; and an analysis module that computes risk metrics and generates interactive visualization dashboards. The risk metrics, formulated around simulation observables, map oscillation impacts to a three-stage severity scale spanning latent equipment fatigue through imminent cascading failure. The methodology is demonstrated on two Western Electricity Coordinating Council (WECC) system models: a publicly available 240-bus reduced representation and a detailed 2031 Heavy Winter planning case. Case studies illustrate that even modest 50 MW forced oscillations at resonant frequencies can produce wide-area power swings, N-1 security constraint violations, and cascading generator trips through protection actions - outcomes that would not occur under normal operating conditions without oscillations present. The results underscore the need for standardized oscillation impact assessment in large load interconnection studies and provide a reproducible, extensible framework for utilities to adopt or customize within their existing planning workflows.

Biswas, Shuchismita↗
DOE OSTI2023

CYVET: A Cyber-Physical Assurance Framework Based on a Semi-Supervised Vetting Approach

The project is designed to directly address the needs described in the Topic Area 4 (“Cybersecurity Verification and Validation”) of the CEDS’19 Research Call. The proposed CYVET system directly addresses the need to elevate the current industry capabilities to verify and validate OT cybersecurity and associated control system infrastructure. Currently, there is a significant gap in the energy sector’s capability in that regard during infrastructure improvement, equipment procurement, and compliance certification. CYVET provides that needed capability. CYVET is device and architecture agnostic and thus broadly applicable across the energy sector. The goal of this project is to develop and deliver a cybersecurity verification and validation framework testing capability to verify and validate OT equipment, software, and the underlying control system architecture. The primary project objectives are (i) Verification: the synthesis and reconciliation of standards and vendor supplied features, (ii) Validation: the generation, execution, and presentation of testing scripts of verified security features, and (3) Demonstration: apply the developed technology capabilities for verification and validation at a relevant end-user facility in the energy sector.

Lopez Jr, Juan↗
DOE OSTI2021

Meteorological data from the Billy Bar site at the East River, Colorado

This dataset includes Quality Assessed and Quality Controlled (QA/QC) meteorological data from the Billy Bar field site in the East River Watershed, Colorado in order to inform watershed hydrobiogeochemical processes. The data includes 1-hour aligned time series of Solar Radiation, Wind Speed, Wind Direction, Air Temperature, Relative Humidity, Barometric Pressure, and Precipitation. For each parameter, the QA flags are given: 1 is for extreme (potential abnormal values), and 0 is for values in the expected range. The Rmarkdown document is a stand-alone file/notebook that preserves the text, code, and code results, as well as formatting contained in the original R script. The Data profiling report is a summary and graphical presentation of the data exploration process for data analysis and model building, so that users could focus on understanding data and extracting insights. The report provides a summary of each variable and does data profiling.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Dataset_for_Conserved_macromolecular_architecture_of_Poplar_secondary_cell_walls_revealed_by_ssNMR_and_atomistic_modeling

This dataset contains solid-state 13C NMR data and atomistic molecular dynamics simulation files supporting the study of nanoscale secondary cell wall architecture across 13 genetically diverse Populus trichocarpa genotypes grown under uniform greenhouse conditions in 13C-enriched CO2 atmospheres (~89% 13C enrichment).The dataset contains two collections of solid-state 13C NMR data. (1) 200 MHz data (Bruker Avance III HD, 4 mm HX probe, 10 kHz MAS): raw Bruker TopSpin experiment folders and DMFIT-exported ascii spectra for selective and non-selective 1D 13C-13C spin diffusion experiments (3000 ms mixing) used to quantify inter-polymer spatial proximities, and short-mixing (1 ms) reference spectra used for polymeric abundance quantification by spectral deconvolution. (2) 600 MHz data (Bruker Avance III, 1.6 mm PhoenixNMR HXY probe, 30 kHz MAS): raw Bruker TopSpin experiment folders containing 2D CORD, 2D CP-INADEQUATE, and 13C/1H relaxation (T1, T1rho) experiments for all 13 genotypes, with processed Excel workbooks per experiment type. Molecular dynamics simulation code, coordinate files, and analysis scripts (NAMD/CHARMM/Python) for six atomistic cell wall models are included. Summarized ssNMR data are compiled into a single excel file and subjected to statistical analysis. Multivariate analysis code (PCA, Pearson correlation) and summary data are provided as excel worksheets and Jupyter notebooks (Python 3).

09 BIOMASS FUELS↗
DOE OSTI2026

Hyaloscypha finlandica Metabolome Repository

This repository provides the curated data tables, manuscript figure and table exports, dependency records, and workflow scripts supporting an integrated comparative genomics and untargeted LC-MS/MS metabolomics analysis of Hyaloscypha finlandica strain PMI 746, a root-associated dark septate endophyte of poplar. The repository includes genome-mining summaries from antiSMASH, FunBGCeX, BGC-Prophet, and BiG-SCAPE; processed metabolomics inputs; metabolite annotation evidence; statistical outputs; and publication-facing figures and tables. Raw LC-MS/MS spectra, full genome/protein downloads, and large generated tool outputs are referenced through public archive/accession records and are not stored in Git.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Linearized Distribution Optimal Power Flow for OEDI SI

This research is to meant to demonstrate the OEDI SI use case for distributed optimal power flow (DOPF). The goal was to formulate the optimal power flow problem in the distribution system for active and reactive power setpoints of PV systems using topology information and voltage measurements. The co-simulation runs every 15 minutes as outlined within the scenario file for the given feeder configuration. The linked GitHub repository includes five federates to achieve DOPF for the small, medium, large, and IEEE 123 feeder scenarios. We are using the OEDI SI framework, as well as the example feeder, sensor, recorder, and estimator federates provided in the example repository for OEDI SI. We also provide a runner script for switching between scenarios.

algorithm↗
DOE OSTI2022

Transient Data Library of Solar Grid Integrated Distributed System

This submission contains an open-source library of transient events in distributed system with high solar PV. The library includes the collected data, related documents and scripts for loading the data. The data library is built for transient event detection and machine learning based analysis algorithm development. The data was collected via both field test and software simulation. The units for the data are included in the data file headers for each data series. A text editor or spreadsheet software, such as Excel, and Matlab is required to view the data.

algorithms↗
DOE OSTI2023

Building-to-Grid Modeling Framework with a Case Study of Battery Systems

Coordinating electricity load shifting operations of multiple buildings has the potential to achieve significant benefits for both building owners and grid operation. In support of this research, this paper develops a novel building-to-grid modeling framework, which uses EnergyPlus to develop physics-based building energy models and GridLAB-D to develop distribution-level grid models. The data exchanges between buildings and distribution-level grid are conducted using Python script and HELICS co-simulation platform. Then, by using this modeling framework, this paper conducts a case study of battery systems in a connected community, which consists of 10 multi-family buildings with appropriately sized batteries. The three scenarios, baseline operation, tolerant to price fluctuations, and opportune usage, are studied. The result displays that, by adopting onsite batteries, both electricity costs for building owners and aggregated peak power demands are reduced.

Building-to-grid, connected community, co-simulati↗
DOE OSTI2026

DICOMs, Missiles, and Metadata: The U.S. Nuclear Weapons Program Leverages a Medical Standard

Digital Imagine and Communications in Medicine (DICOM) images, although most commonly used in medical settings, have been widely adopted by the United States Department of Energy (DOE) for capturing images of the internal components in a nuclear weapon. DICOMs, a lesser-known file format that combine nested metadata structures with complex image data-including multiple planes, frames, and high resolution-require the creation of access copies to support usability within the DOE. Used primarily for ensuring the safety, security, and reliability of the U.S. nuclear stockpile, the Los Alamos National Laboratory (LANL)’s DICOM images and corresponding image metadata must be accessible to scientists and researchers via our institutional centralized databases. This paper describes the author's creation of a Python script that converts DICOM images into accessible, archive-friendly TIFF files while preserving key image data and metadata.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2017

SPRUCE Data-constrained Projections of Methane Fluxes in a Northern Minnesota Peatland in Response to Elevated CO2 and Warming: Modeling Archive

This modeling archive dataset contains results from a study developed a data-informed process-based model using methane chamber measurement data from the Spruce and Peatland Responses Under Changing Environments (SPRUCE) experimental site within the Marcell Experimental Forest in northern Minnesota, USA. The study used existing manual CH4 flux measurements collected from the ambient environment from 2011-2014 and developed a data-informed process-based methane module. The module was incorporated into the Terrestrial ECOsystem (TECO) model before its parameters were constrained with multiple years of methane flux data for forecasting CH4 emission under five warming and two elevated CO2 experimental treatments at SPRUCE. This effort modeled wetland methane (CH4) fluxes with process modeling to better understand uncertainties and the effects of increased temperature and carbon dioxide (CO2) on methane fluxes. Ma et al. (2017) contains results from this modeling effort. This dataset contains 6 files: (1) a user guide in PDF (*.pdf) format, (2) a readme in PDF (*.pdf) format, (3) the posterior distribution of parameters values in comma-separate values (*.csv) format, (4) a compressed (*.zip) folder containing model simulated results of methane emission for different pathways under different environmental conditions, (5) source code of the TECO model used in the study in Fortran 90 (*.f90) format, and (6) a file-level metadata file in comma-separate values (*.csv). In the August 2026 update to this dataset, the associated Fortran 90 code script, TECO_SPRUCE_ME.f90, and a user guide were added to this dataset. Two file names were changed: 2.Posterior_distribution.csv to 2_Posterior_distribution.csv and 3.Simulations_data.zip to 3_Simulations_data.zip and Files_1_3_legends is now provided as a PDF (*.pdf) instead of in Microsoft Word format.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

gRNA-SeqRET: a universal tool for targeted and genome-scale gRNA design and sequence extraction for prokaryotes and eukaryotes

High-throughput genetic screening is frequently employed to rapidly associate gene with phenotype and establish sequence-function relationships. With the advent of CRISPR technology, and the ability to functionally interrogate previously genetically recalcitrant organisms, non-model organisms can be investigated using pooled guide RNA (gRNA) libraries and sequencing-based assays to quantitatively assess fitness of every targeted locus in parallel. To aid the construction of pooled gRNA assemblies, we have developed an in silico design workflow for gRNA selection using the gRNA Sequence Region Extraction Tool (gRNA-SeqRET). Built upon the previously developed CCTop, gRNA-SeqRET enables automated, scalable design of gRNA libraries that target user-specified regions or whole genomes of any prokaryote or eukaryote. Additionally, gRNA-SeqRET automates the bulk extraction of any regions of sequence relative to genes or other features, aiding in the design of homology arms for insertion or deletion constructs. We also assess in silico the application of a designed gRNA library to other closely related genomes and demonstrate that for very closely related organisms Average Nucleotide Identity (ANI) > 95% a large fraction of the library may be of relevance. The gRNA-SeqRET web application pipeline can be accessed at https://grna.jgi.doe.gov. The source code is comprised of freely available software tools and customized Python scripts, and is available at https://bitbucket.org/berkeleylab/grnadesigner/src/master/ under a modified BSD open-source license (https://bitbucket.org/berkeleylab/grnadesigner).

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Review, Evaluation, and Directions for Gene-Targeted Assembly for Ecological Analyses of Metagenomes

Shotgun metagenomics has greatly advanced our understanding of microbial communities over the last decade. Metagenomic analyses often include assembly and genome binning, computationally daunting tasks especially for big data from complex environments such as soil and sediments. In many studies, however, only a subset of genes and pathways involved in specific functions are of interest; thus, it is not necessary to attempt global assembly. In addition, methods that target genes can be computationally more efficient and produce more accurate assembly by leveraging rich databases, especially for those genes that are of broad interest such as those involved in biogeochemical cycles, biodegradation, and antibiotic resistance or used as phylogenetic markers. Here, we review six gene-targeted assemblers with unique algorithms for extracting and/or assembling targeted genes: Xander, MegaGTA, SAT-Assembler, HMM-GRASPx, GenSeed-HMM, and MEGAN. We tested these tools using two datasets with known genomes, a synthetic community of artificial reads derived from the genomes of 17 bacteria, shotgun sequence data from a mock community with 48 bacteria and 16 archaea genomes, and a large soil shotgun metagenomic dataset. We compared assemblies of a universal single copy gene (rplB) and two N cycle genes (nifH and nirK). We measured their computational efficiency, sensitivity, specificity, and chimera rate and found Xander and MegaGTA, which both use a probabilistic graph structure to model the genes, have the best overall performance with all three datasets, although MEGAN, a reference matching assembler, had better sensitivity with synthetic and mock community members chosen from its reference collection. Also, Xander and MegaGTA are the only tools that include post-assembly scripts tuned for common molecular ecology and diversity analyses. Additionally, we provide a mathematical model for estimating the probability of assembling targeted genes in a metagenome for estimating required sequencing depth.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Editorial: Neuroscience, computing, performance, and benchmarks: Why it matters to neuroscience how fast we can compute

At the turn of the millennium the computational neuroscience community realized that neuroscience was in a software crisis: software development was no longer progressing as expected and reproducibility declined. The International Neuroinformatics Coordinating Facility (INCF) was inaugurated in 2007 as an initiative to improve this situation. The INCF has since pursued its mission to help the development of standards and best practices. In a community paper published this very same year, Brette et al. tried to assess the state of the field and to establish a scientific approach to simulation technology, addressing foundational topics, such as which simulation schemes are best suited for the types of models we see in neuroscience. In 2015, a Frontiers Research Topic “Python in neuroscience” by Muller et al. triggered and documented a revolution in the neuroscience community, namely in the usage of the scripting language Python as a common language for interfacing with simulation codes and connecting between applications. The review by Einevoll et al. documented that simulation tools have since further matured and become reliable research instruments used by many scientific groups for their respective questions. Open source and community standard simulators today allow research groups to focus on their scientific questions and leave the details of the computational work to the community of simulator developers. A parallel development has occurred, which has been barely visible in neuroscientific circles beyond the community of simulator developers: Supercomputers used for large and complex scientific calculations have increased their performance from ~10 TeraFLOPS (10 13 floating point operations per second) in the early 2000s to above 1 ExaFLOPS (10 18 floating point operations per second) in the year 2022. This represents a 100,000-fold increase in our computational capabilities, or almost 17 doublings of computational capability in 22 years. Moore's law (the observation that it is economically viable to double the number of transistors in an integrated circuit every other 18–24 months) explains a part of this; our ability and willingness to build and operate physically larger computers, explains another part. It should be clear, however, that such a technological advancement requires software adaptations and under the hood, simulators had to reinvent themselves and change substantially to embrace this technological opportunity. It actually is quite remarkable that—apart from the change in semantics for the parallelization—this has mostly happened without the users knowing. The current Research Topic was motivated by the wish to assemble an update on the state of neuroscientific software (mostly simulators) in 2022, to assess whether we can see more clearly which scientific questions can (or cannot) be asked due to our increased capability of simulation, and also to anticipate whether and for how long we can expect this increase of computational capabilities to continue.

biophysically detailed models↗
DOE OSTI2021

A Unified User-Friendly Instrument Control and Data Acquisition System for the ORNL SANS Instrument Suite

In an effort to upgrade and provide a unified and improved instrument control and data acquisition system for the Oak Ridge National Laboratory (ORNL) small-angle neutron scattering (SANS) instrument suite—biological small-angle neutron scattering instrument (Bio-SANS), the extended q-range small-angle neutron scattering diffractometer (EQ-SANS), the general-purpose small-angle neutron scattering diffractometer (GP-SANS)—beamline scientists and developers teamed up and worked closely together to design and develop a new system. We began with an in-depth analysis of user needs and requirements, covering all perspectives of control and data acquisition based on previous usage data and user feedback. Our design and implementation were guided by the principles from the latest user experience and design research and based on effective practices from our previous projects. In this article, we share details of our design process as well as prominent features of the new instrument control and data acquisition system. The new system provides a sophisticated Q-Range Planner to help scientists and users plan and execute instrument configurations easily and efficiently. The system also provides different user operation interfaces, such as wizard-type tool Panel Scan, a Scripting Tool based on Python Language, and Table Scan, all of which are tailored to different user needs. The new system further captures all the metadata to enable post-experiment data reduction and possibly automatic reduction and provides users with enhanced live displays and additional feedback at the run time. We hope our results will serve as a good example for developing a user-friendly instrument control and data acquisition system at large user facilities.

47 OTHER INSTRUMENTATION↗
DOE OSTI2015

Analysis of metabolomics datasets with high-performance computing and metabolite atlases

Even with the widespread use of liquid chromatography mass spectrometry (LC/MS) based metabolomics, there are still a number of challenges facing this promising technique. Many, diverse experimental workflows exist; yet there is a lack of infrastructure and systems for tracking and sharing of information. Here, we describe the Metabolite Atlas framework and interface that provides highly-efficient, web-based access to raw mass spectrometry data in concert with assertions about chemicals detected to help address some of these challenges. This integration, by design, enables experimentalists to explore their raw data, specify and refine features annotations such that they can be leveraged for future experiments. Fast queries of the data through the web using SciDB, a parallelized database for high performance computing, make this process operate quickly. Furthermore, by using scripting containers, such as IPython or Jupyter, to analyze the data, scientists can utilize a wide variety of freely available graphing, statistics, and information management resources. In addition, the interfaces facilitate integration with systems biology tools to ultimately link metabolomics data with biological models.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Effects of Media Nutrient Variation on Microalgae Productivity and Economics During Semi-Continuous Cultivation

The development of large-scale microalgae growth for biofuel production is currently limited by the cost of biomass production. However, new approaches to infrastructure and cultivation practices are bringing the field closer to realization. Macronutrients in the cultivation media contribute significant costs, especially since their concentrations have not been optimized for specific strains and conditions. Environmental photobioreactors (ePBRs) were used to simulate cultivation under outdoor conditions, during which the nitrogen and phosphorus levels in the media were varied. The growth of two potential biofuel production strains, Picochlorum celeri and Tetraselmis striata, with varying nutrient inputs during summer and winter scripts, respectively, was studied. This study demonstrated that nitrogen and phosphorus in f/2 media could be reduced by more than 60% from the standard formulation, while maintaining growth rates in a semi-continuous harvesting approach. Experiments comparing the standard and reduced nutrient input concentrations were also conducted for both species in 820 L outdoor raceway ponds, in Mesa, AZ. P. celeri grown in these ponds in October had a growth rate of 10.6 ± 0.7 g/m 2 /day and 10.6 ± 0.3 g/m 2 /day for the standard and low-nutrient P. celeri ponds, respectively. T. striata grown in April–May had a growth rate of 16.6 ± 1.4 g/m 2 /day for the standard nutrient input ponds and 17.4 ± 1.1 g/m 2 /day for the low-nutrient input ponds, and in October 14.5 ± 0.6 g/m 2 /day for standard nutrient ponds and 14.4 ± 0.6 g/m 2 /day for low-nutrient ponds. These outdoor data therefore confirmed the indoor ePBR data. Techno-economic analysis shows that, if high growth rates can be attained at lower nutrient concentrations, a reduction of at least 60% in nutrient costs can be achieved. Such results highlight the importance of managing macronutrient media inputs, as these have a considerable contribution to biomass production costs in large-scale facilities. The analysis also points to the importance of maintaining high spent medium recycling rates in an industrial deployment, so as to minimize the losses of nitrogen and phosphorus compounds.

09 BIOMASS FUELS↗