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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Beyond DERMS: Demonstration of Automated Grid Services, Mode Transition, and Resilience

This report describes the results of more advanced use cases including Ancillary Services, Black-sky-day operation, and Mode Switching from Phase 3 of the “Beyond DERMS” project aiming to build, deploy, and demonstrate a holistic platform that supports the integrated operation and planning of future power distribution networks with bi-directional power flows, many diverse distributed energy resources (DERs), and inverter-based resources. These test results demonstrated how a Beyond DERMS platform can fuse together AMI, SCADA, and DER data to provide a utility with deep insights into distribution network operations and planning, extending the value of DERMS and BTM DER resources.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

The Portals 4.3 Network Programming Interface

This report presents a specification for the Portals 4 network programming interface. Portals 4 is intended to allow scalable, high-performance network communication between nodes of a parallel computing system. Portals 4 is well suited to massively parallel processing and embedded systems. Portals 4 represents an adaption of the data movement layer developed for massively parallel processing platforms, such as the 4500-node Intel TeraFLOPS machine. Sandia's Cplant cluster project motivated the development of Version 3.0, which was later extended to Version 3.3 as part of the Cray Red Storm machine and XT line. Version 4 is targeted to the next generation of machines employing advanced network interface architectures that support enhanced offload capabilities.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Agilent AgileBioFoundry CRADA (Final Report)

The mission of this CRADA with Agilent was to couple powerful MS platforms (QQQ, IM-QTOF-MS) with Agilent’s novel Ultra-High-Performance Liquid Chromatography (UHPLC) fast metabolomic workflows and perform ABF Machine Learning (ML) to generated datasets. Agilent transferred UHPLC methods to PNNL and LBNL and methods were implemented and demonstrated in both labs, achieving total acquisition times of < 10 min. Metabolites analyzed using Agilent’s shared methods included metabolites from central carbon metabolism, common across hosts, and metabolites unique to engineered strains. Standards were acquired in an UHPLC-Drift Tube Ion Mobility Mass Spectrometer (DTIMS) system for the first time within the context of ABF and methods were optimized based on Agilent’s protocols. Samples from ABF hosts Pseudomonas putida, Aspergillus pseudoterreus, Aspergillus niger and Rhodosporidium toruloides were analyzed using the UHPLC-DTIMS platform for a total of 276 runs. A data analysis workflow compatible with the Experimental Data Depot (EDD) and completely shareable was developed for the acquired UHPLC-DTIMS data. Samples were analyzed using a Data Independent Acquisition Approach (DIA), which for most of the standards provided more transitions therefore increasing detection confidence. Using the data acquired by PNNL, LBNL, and Agilent’s specifications from previous ML projects, SNL applied an ensemble ML strategy to pick the best performing model for automated LC-method selection. Finally, with the contribution of the participant labs and Agilent, SNL developed an Automated Method Selection (AMS) software tool to predict the best liquid chromatography method for analysis of any new molecules of interest. Samples with novel pathways and new metabolite targets of interest are generated at a high pace in the ABF. Therefore, our accomplishment in this CRADA improved the efficiency and accuracy of strain testing by developing and implementing fast analytical methods, robust processing tools, and software for predicting the best methods for UHPLC analysis.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Final Scientific/Technical Report: Real Time Particle Size and Settling Velocity for In-Situ Monitoring of Deep-Sea Polymetallic Nodule Mining

In the coming decade, it is anticipated that deep-sea mining activities will commence throughout the deep ocean, at depths around 4000-6000m where vast deposits of baseball-sized rocks called polymetallic nodules lay on the seabed. These nodules contain resources such as cobalt, copper and nickel which are needed to produce batteries for electric vehicles. Collector machines driving on the seabed and gathering these nodules will stir up clouds of sediment, and there is concern about how the resulting concentration of sediment in the near-bottom ocean water will affect deep and mid-ocean biology. There is currently no technology capable of comprehensively monitoring the concentrations and properties of stirred up sediment in the deep. This project addressed this critical gap by developing a deep-sea particle measurement system (Real-Time Size and Settling Velocity, RTSSV) that uses a multi-camera high-resolution video imaging system, with accompanying image processing, to measure the concentration, size distribution and settling speed of sediment. Importantly, these measurements are made in-situ, so that delicate sediment aggregates will not be disturbed, as is the case when collecting samples at depth to be measured in the lab. The instrument can be mounted on a variety of established deep-sea platforms such as moorings, AUVs and ROVs, providing data in near real time, where the key measurements need to be made—from the source of the sediment disturbance and throughout the resulting plume—vital for determining if deep-sea mining can be done in an environmentally responsible manner. The developed system (RTSSV) will possess the only such capability worldwide, giving a US-based group a substantial competitive advantage as this newly evolving global industry develops. As added value, the technology will also have widespread application to the offshore oil and gas industry, dredging industry, and to sediment science research.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

TASTI-GRID: Overview of the State of Oregon’s Resilience and Reliability [Slides]

This report is intended to help your state identify the most effective investments to improve grid resilience and reliability, based on analysis of outage data, weather events, and the current state of the electric grid. The information presented is derived from the best available data. The discussions and recommendations included provide context and valuable insights into potential high returns on investment (ROI). Specifically, the report offers an overview of electric grid resilience in Oregon, covering outage information, reasons for outages, calculated "resilience scores" across the state, and recommendations for both immediate and long-term investments in grid infrastructure. The document provides a concise overview of the analytical capabilities of the TASTI-GRID team. By utilizing additional data and resources, it synthesizes insights from the platform to present a distinct perspective on investing in grid resilience throughout Oregon. This document is not intended to influence or direct state-level decisions related to investments in grid resilience and reliability. TASTI-GRID should not be used for real-time monitoring, supporting the ESF #12 emergency response functions, or predicting the restoration times for outages.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2026

Development and implementation of high-throughput proteomic and metabolomics assays by using advanced chromatographic and mass spectrometric systems (CRADA Final Report)

The mission of this CRADA with Agilent was to couple powerful MS platforms (QQQ, IM-QTOFMS) with Agilent’s novel Ultra-High-Performance Liquid Chromatography (UHPLC) fast metabolomic workflows and perform ABF Machine Learning (ML) to generated datasets. Agilent transferred UHPLC methods to PNNL and LBNL and methods were implemented and demonstrated in both labs, achieving total acquisition times of < 10 min. Metabolites analyzed using Agilent’s shared methods included metabolites from central carbon metabolism, common across hosts, and metabolites unique to engineered strains. Standards were acquired in an UHPLC-Drift Tube Ion Mobility Mass Spectrometer (DTIMS) system for the first time within the context of ABF and methods were optimized based on Agilent’s protocols. Samples from ABF hosts Pseudomonas putida, Aspergillus pseudoterreus, Aspergillus niger and Rhodosporidium toruloides were analyzed using the UHPLC-DTIMS platform for a total of 276 runs. A data analysis workflow compatible with the Experimental Data Depot (EDD) and completely shareable was developed for the acquired UHPLC-DTIMS data. Samples were analyzed using a Data Independent Acquisition Approach (DIA), which for most of the standards provided more transitions therefore increasing detection confidence. Using the data acquired by PNNL, LBNL, and Agilent’s specifications from previous ML projects, SNL applied an ensemble ML strategy to pick the best performing model for automated LC-method selection. Finally, with the contribution of the participant labs and Agilent, SNL developed an Automated Method Selection (AMS) software tool to predict the best liquid chromatography method for analysis of any new molecules of interest. Samples with novel pathways and new metabolite targets of interest are generated at a high pace in the ABF. Overall, the project advanced rapid metabolomics by combining liquid chromatography, ion mobility spectrometry, and data-independent mass spectrometry with machine learning. This multidimensional approach uses retention time, collision cross-section, precursor mass, and fragment-ion information to distinguish chemically similar metabolites that can be difficult to resolve using conventional liquid- or gas-chromatography methods. The resulting workflow also provided automated metabolite-identification error estimates, addressing a recognized need for statistical confidence measures in metabolomics.

Petzold, Christopher [Lawrence Berkeley National L↗
DOE OSTI2019

Real-time forecasting of electricity demand in a streams-based architecture with applications

A streams platform is used. Multiple streams of electricity usage data are received, each from an electrical meter providing periodic updates to electrical usage for devices connected to the electrical meter. Weather information is received corresponding to locations where the electrical meters are. Real-time predictive modeling of electricity demand is performed based on the received multiple streams of electricity usage data and the received weather information, at least by performing: updating a state space model for electrical load curves using the usage data from the streams and the weather, wherein the updating uses current load observations for the multiple streams for a current time period; and creating forecast(s) for the electricity demand. The forecast(s) of the electricity demand are output. Appliance-level predictions may be made and used, and substitution effects and load management functions may be performed.

Ghosh, Soumyadip↗
DOE OSTI2019

INL CyberStrike

Explore the source record for details and available documents.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

PV Validation Hub

The Validation Hub will be a clearinghouse for the transfer of novel algorithms and software from the PV research community to industry. Potential algorithms tested in the Hub could include the estimation of various PV loss factors and the detection of various operational issues. The primary function of the Hub will be for developers to submit executable code which will run on hosted data sets. Developers will receive private reports on the accuracy and performance (e.g., run-time) of the submitted algorithms, and public high level summaries will be hosted. These summaries will indicate the organization who submitted the algorithm (e.g., links to GitHub pages, documentation websites, etc.), high-level accuracy metrics, and standardized performance metrics. These results will be stored in a publicly available database, accessible through the Hub, with the ability for users to sort and filter the results. In short, the Hub will be presented to public users as a collection of interactive leaderboards, organized around specific analysis tasks pertinent to the PV data science community. These tasks include things such as the estimation of various PV loss factors and the detection of various operational issues. We will present progress on the development of this hub, including preliminary results of comparative validation of PV data science algorithms and progress towards building the platform itself.

algorithm↗
DOE OSTI2015

Performance Evaluation of an Intelligent Sensor Platform for Radiation Monitoring Applications

Accurate, rugged, and reliable radiation detection systems are important for area and environmental monitoring applications. The desire for spectroscopic capability has increased in monitoring aspects of the nuclear fuel cycle to provide fast characterization of the radiation profile of a situation, such as the planned or unplanned release of material. The reduction or elimination of having to conduct sampling for laboratory analysis can result in significant cost savings for an industry, government agency, or regulatory body. A new system, comprised of a NaI:Tl scintillator and a G-M tube, has been designed and tested, taking into account the following end-user requirements: ease-of-use, capability to network and supervise multiple units, compact form factor, low power consumption, versatility, and stability. The detector sizes were selected to accommodate a dose rate up to 1 Sv/hr. Several algorithms and analysis routines have been developed to incorporate these key needs without sacrificing on accuracy, dynamic range, nuclide identification, and sensitivity. This presentation will introduce the major hardware and software components of the platform, as well as the user interface and data analysis workflow. Key features of the hardware include an environmentally robust housing, low power signal processing electronics, patented LED-based gain stabilization, and an embedded processor for unattended instrument management and data analysis. New and improved algorithms for determining scintillator gamma dose rates, total integrated dose, and nuclide identification will be introduced. The two detector elements were modeled with MCNP and validated experimentally. The results of the radiological testing shall be presented including energy resolution, throughput, dose response, and minimum detectable activities. The dose response has been evaluated in simulations and with measurements to ensure accurate response with respect to energy spectrum of the dose field and direction of the incident radiation. Spectroscopy evaluations, such as nuclide detection probability and false alarm rates, were performed and comparisons to existing algorithms shall also be presented. (authors)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2019

Scaling Input Distributions for Probabilistic Models - 19472

It is important to address scaling issues when building models to support risk-based decisions for radioactive waste disposal sites. Currently, probabilistic risk assessment and probabilistic performance assessment models are run for multiple realizations where each realization uses one value from each input distribution over the entire modeled time. The input distributions represent the current state of knowledge in the mean of the input variable over the spatial region of interest and over the time period of the model run. This paper focuses on the time factor in input distribution scaling because it presents more serious conceptual and distributional challenges than the spatial factor. One of the challenges in temporal scaling is the effect of non-linearity on propagation of distribution uncertainty through to uncertainty in results. Radioactive waste disposal models tend to have both linear and non-linear components in their models. Dose assessment calculations are typically represented by linear models, while contaminant transport models have linear and non-linear components. In principle, temporal scaling of input parameter distributions for a linear model is straightforward, but scaling of input distributions for non-linear models is not. This paper uses examples to investigate the effects of input distribution temporal scaling on simple linear and non-linear models. Different scaling scenarios were investigated by comparing three analysis tools: analytical mathematical representations, statistical software programming, and GoldSim Monte Carlo simulation software. R statistical software is an open source statistical programming language often used for statistical analyses and graphical representation of data. GoldSim is a robust probabilistic dynamic modeling platform used in performance assessment modeling of radioactive waste sites. A simple linear model, a quadratic model and a multiplicative model were the cases explored for each of these tools. For the three analysis tools considered and with each of the scaling cases, 1,000 realizations were implemented from distributions of the random variables of interest. This is a sufficient number of realizations for simple models to capture the model space. An annual temporal resolution of a 100-year simulation period was chosen for all models and analysis tools. The effects of temporal scaling were demonstrated by investigating two different options for time scaling. Option 1 was set up so that the input distributions represented the expected value on an annual time scale, and a new value from that distribution was chosen every year (at every time step which equaled a year) for 100 years. In Option 2, the input distributions were scaled to represent the expected mean value of the input variable over the 100 years of simulation, and one value from that distribution was chosen for the entire elapsed time. Results show agreement across the three analysis tools. As expected, the linear models have identical results for the two different scaling Options, and the non-linear models diverge in the results for different time scale implementation. The implications of this work point to the need for careful consideration of input distribution temporal scaling. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Flexible and Effective Object Tiering for Heterogeneous Memory Systems

Computing platforms that package multiple types of memory, each with their own performance characteristics, are quickly becoming mainstream. To operate efficiently, heterogeneous memory architectures require new data management solutions that are able to match the needs of each application with an appropriate type of memory. As the primary generators of memory usage, applications create a great deal of information that can be useful for guiding memory management, but the community still lacks tools to collect, organize, and leverage this information effectively. To address this gap, this work introduces a novel software framework that collects and analyzes object-level information to guide memory tiering. The framework includes tools to monitor the capacity and usage of individual data objects, routines that aggregate and convert this information into tier recommendations for the host platform, and mechanisms to enforce these recommendations according to user-selected policies. Moreover, the developed tools and techniques are fully automatic, work on standard Linux systems, and do not require modification or recompilation of existing software. Using this framework, this study evaluates and compares the impact of a variety of design choices for memory tiering, including different policies for prioritizing objects for the fast memory tier as well as the frequency and timing of migration events. In conclusion, the results, collected on a modern Intel platform with conventional DDR4 SDRAM as well as Intel Optane NVRAM, show that guiding data tiering with object-level information can enable significant performance and efficiency benefits compared with standard hardware- and software-directed data-tiering strategies for a diverse set of memory-intensive workloads.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Scanning A uger spectromicroscopy using the S cope F oundry software platform

We have developed an open‐source, Python‐based software platform called ScopeFoundry for performing complex, multidimensional microscopy experiments that integrate diverse types of experimental hardware. ScopeFoundry streamlines experiment development by providing a modular environment where hardware controls and measurement schemes can be arranged and customized. Important software tasks such as data management and user interface generation are automated. Using this platform, we have implemented scanning Auger spectromicroscopy on a modified commercial surface analysis system. Spectromicroscopy produces multidimensional datasets with complete spectra at each image pixel, allowing for detailed analysis of material phases where Auger peaks may change in shape and position. Analysis of the surface phases of an advanced electron emission dispenser cathode is presented as an example. We describe the general ScopeFoundry platform, its application to Auger spectromicroscopy, and ways it can be applied to advance surface analysis and microscopy.

Durham, Daniel B.↗
DOE OSTI2022

Traveler: Navigating Task Parallel Traces for Performance Analysis

Understanding the behavior of software in execution is a key step in identifying and fixing performance issues. This is especially important in high performance computing contexts where even minor performance tweaks can translate into large savings in terms of computational resource use. To aid performance analysis, developers may collect an execution trace —a chronological log of program activity during execution. As traces represent the full history, developers can discover a wide array of possibly previously unknown performance issues, making them an important artifact for exploratory performance analysis. However, interactive trace visualization is difficult due to issues of data size and complexity of meaning. Traces represent nanosecond-level events across many parallel processes, meaning the collected data is often large and difficult to explore. The rise of asynchronous task parallel programming paradigms complicates the relation between events and their probable cause. Here, to address these challenges, we conduct a continuing design study in collaboration with high performance computing researchers. We develop diverse and hierarchical ways to navigate and represent execution trace data in support of their trace analysis tasks. Through an iterative design process, we developed Traveler , an integrated visualization platform for task parallel traces. Traveler provides multiple linked interfaces to help navigate trace data from multiple contexts. We evaluate the utility of Traveler through feedback from users and a case study, finding that integrating multiple modes of navigation in our design supported performance analysis tasks and led to the discovery of previously unknown behavior in a distributed array library.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Landscape-scale Characterization of Arctic Tundra Vegetation Composition, Structure, and Function with a Multi-sensor Unoccupied Aerial System: Supporting Data.

Airborne remote sensing data collected using the Brookhaven National Laboratory's (BNL) heavy-lift unoccupied aerial system (UAS) octocopter platform, the Osprey, operated by the Terrestrial Ecosystem Science and Technology (TEST) group (https://www.bnl.gov/testgroup). This package includes data from three flights flown over the NGEE-Arctic Council, Kougarok and Teller sites in July, 2018. The Osprey is a multi-sensor UAS platform that simultaneously measures very high spatial resolution optical red/green/blue (RGB) and thermal infrared (TIR) surface 'skin' temperature imagery, as well as surface reflectance at 1 nm intervals in the visible to near-infrared spectral range 350 - 1000 nm measured at regular intervals along each flight path. Derived image products include ortho-mosaiced RGB and TIR images, an RGB-based digital surface model (DSM) using the structure from motion (SfM) technique, digital terrain model (DTM), and a canopy height model (CHM). In addition, a VNIR surface reflectance file is provided for the trigger locations collected during each flight campaign. Ancillary aircraft data, flight mission parameters, and general flight conditions provided by the onboard flight and data collection computers are also included. Unprocessed and processed data products are included in this package (processing levels 0-3). Data and metadata are provided as text (*.txt, *.json, *.kml, *hdr, *.enp), tabular (*.dat, *.csv, *.waypoint, ENVI format (no extension)), point cloud (*.laz) and image (*.jpg, *.tif, *png) formats. This metadata document contains flight campaign, instrument and file metadata, along with a description of data processing levels, data products and file naming scheme.The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), 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).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

A KBase Case Study on Genome-wide Transcriptomics and Plant Primary Metabolism in Sorghum

A better understanding of the genetic and metabolic mechanisms that confer stress resistance and tolerance in plants is key to engineering new crops through advanced breeding technologies. This requires a systems biology approach that builds on a genome-wide understanding of the regulation of gene expression, plant metabolism, physiology and growth. In this study, we examine the response to drought stress in Sorghum, as we leverage the tools for transcriptomics and plant metabolic modeling we have implemented at the U.S. Department of Energy Systems Biology Knowledgebase (KBase). KBase enables researchers worldwide to collaborate and advance research by allowing them to upload private or public data into the KBase Narrative Interface, empowering them to analyze this data using a rich, extensible array of computational and data-analytics tools, and allows them to securely share scientific workflows and conclusions. We demonstrate how to use the current RNA-seq tools in KBase, applicable to both plants and microbes, to assemble and quantify long transcripts and identify differentially expressed genes effectively. More specifically, we demonstrate the utility of the platform by identifying key genes that are differentially expressed during drought-stress in Sorghum bicolor, which is an important sustainable production crop plant. We then show how to use KBase tools to predict the membership of genes in metabolic pathways and examine expression data in the context of metabolic subsystems. We demonstrate the power of the platform by making the data analysis and interpretation available to the biologists in the reproducible, re-usable, point-and-click format of a KBase Narrative thus promoting FAIR (Findable, Accessible, Interoperable and Reusable) guiding principles for scientific data management and stewardship.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Mobile Ion Concentration Measurement and Open-Access Band Diagram Simulation Platform for Halide Perovskite Solar Cells

We propose two approaches to compute the band diagram of highly efficient perovskite solar cells, both based on the migration of a single-mobile ion (halide vacancies). The first is a full analytical approach to quickly calculate the main features of the perovskite band diagram and easily extract the mobile vacancy concentration from experimental data. The second approach is an online-open-access platform that can be used by anyone to accurately simulate their own band diagram. We combine the first approach with current transient measurements to extract the mobile ion concentration for six different perovskite compositions - including perovskite solar cells with power conversion efficiencies exceeding 19%. For the devices measured herein, we obtain ion concentrations in the range 7 x 10 16 -5 x 10 17 cm -3 . We use the second approach to quantitatively discuss the implications of the mobile ion concentrations we measured in terms of device performance and stability.

14 SOLAR ENERGY↗