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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 OSTI2024

Automated analysis of unlabeled PV data with Solar Data Tools software: Overview and feature updates

Distributed rooftop PV systems: ubiquitous, yet commonly have unlabeled data Difficult or impossible to form a performance index We developed Solar Data Tools (SDT), an open-source Python library for analyzing PV power (and irradiance) time-series data SDT enables analysis of unlabeled PV data—no model, no meteorological data, no performance index required Takes a statistical signal processing approach Data processing steps are largely pre-defined and automatic regardless of system type—from utility tracking systems to multi-pitch rooftop systems

Meyers-Im, Bennet E↗
DOE OSTI2018

Aerial Lidar and Geomorphic Change Detection Software- Tools for Monitoring Canyon Sediments at LANL - 18668

The Los Alamos National Laboratory Environmental Remediation program has conducted extensive geomorphic surveys of sediment deposits in the canyon bottoms within and surrounding the facility. The goal of the geomorphic surveys was to provide basic information needed to characterize chemical inventories of the sediments downstream of historical release sites. Sediment units were mapped based on depositional setting and age. Representative characterization samples were collected for each unit and submitted for chemical analysis. Chemical inventories were estimated by calculating the total volume of each depositional unit and multiplying by average chemical concentration. This method of characterization provides a spatial distribution of chemical data based on fluvial processes. In general, for the canyon bottom sediments, the higher concentrations of industrial chemicals were associated with fine-grained floodplain deposits closest to the source. Since initial characterization, many of the reaches have undergone changes in response to post-wildfire floods and severe rain events. These events impacted the channel and floodplain deposits. Much of the elevated concentrations are confined to the over-bank deposits distal from the primary channel. In order to ensure that the sediment units containing elevated chemical concentrations are stable, repeat aerial light detection and ranging (LiDAR) surveys are conducted and changes are assessed using the Geomorphic Change Detection (GCD) plug-in for ArcGIS. These tools provide high confidence uncertainty estimates and extensive areal coverage. This is a valuable method for long-term monitoring of surface sediments with low-level but widespread contaminant distributions. All of the monitored canyon bottom reaches pass risk assessment and present technically infeasible sediment removal options. Following the 2014 monsoon season, aerial LiDAR data has been collected annually and the resulting digital elevation models (DEMs) processed using the GCD method. Changes are identified using GCD and are verified by field walk downs. If erosion is identified in areas which are vulnerable to mobilizing contaminated sediment, enhanced controls can be installed to stabilize banks or other areas with high erosion potential. Annual sediment monitoring samples are collected where there is evidence for flow and deposition within the past year. Since 2014, no severe floods have been catalogued using the LiDAR surveys and GCD software. The recent rainfall/runoff events have not caused major changes to the canyon bottom channels and floodplains. Geomorphic processes identified in the monitoring results include channel aggradation and incision that over the course of a monsoon season results in minor changes to the system. Other active processes contributing to observed changes are minor slides, flows, slumps, and falls of unconsolidated sediment on steep bedrock or soil surfaces. A comprehensive baseline has been established by geomorphic mapping and characterization sampling. Periodic monitoring consists of LiDAR surveys and GCD analysis which offers an effective and defensible methodology for documenting stability of surface sediments. (authors)

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

Success Path Method: Introduction to the Success Path Method Software Tool©

As part of its commitment to advancing safety and reliability assessment methodologies, Argonne National Laboratory pioneered the use of an evaluation method called the Success Path Method (SPM) to improve risk management for offshore oil and gas operations. The development of the SPM at Argonne has been driven by the need to improve existing risk assessment methodologies by focusing on the steps necessary for success rather than failure modes alone. This is particularly important for industrial environments like offshore facilities that perform multiple functions under a continuously evolving set of operational conditions – such as water depth and temperature, currents, and weather conditions. In these dynamic environments, the traditional Probabilistic Risk Assessment (PRA) approach is far too complex as it focuses on what can go wrong – which comprises an infinite failure space that must be fully explored and understood. By shifting the focus to a finite space of success paths, the SPM enables operators and decision makers to prioritize a manageable number of steps that must go right to ensure success. Building on its five decades of experience in safety assessments for the nuclear industry, Argonne made major adaptations to existing risk assessment methods utilizing features similar to fault trees that are traditionally used in PRA to map all pathways in which the system can malfunction. In contrast, SPM identifies the components and processes that must function correctly to achieve specific outcomes – such as preventing the uncontrolled release of hydrocarbons during drilling operations. The SPM framework integrates equipment, procedures, software, processes, and human actions to ensure that physical barriers meet critical safety functions in dynamic operational conditions. This approach helps identify failure modes and improve operational risk management by narrowing the focus to key success elements, which in turn reduces uncertainty and helps users understand, manage, and respond to failures.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Hardening DOE R&D Software Tools for Web-based Visualization SBIR Phase I Final Report

Ubiquitous web-based visualization is essential to delivering large-scale data visualization to various stakeholders, from the scientist to the board member. These stakeholders will not tolerate a stalled application or a pop-up window asking them to wait for the processing to complete. They require a responsive and interactive visualization environment with high-quality imagery suitable for detailed analysis and boardroom presentations. At Kitware, Inc., we have accomplished web visualization to this point, leveraging state-of-the-art tools like HTML5, CSS3, SVG, Canvas, and WebGL. Solutions that leverage a combination of these technologies are necessary to handle workloads that vary significantly in data size efficiently. However, it is not always practical to move large data to the web client for visualization. Kitware's ParaView as a Service combines client-side visualization using both distributed processing and remote rendering on big data impractical to move. Existing distributed processing and remote rendering solution's interactivity is below the expectations of web-based applications. Our project examined proposed solutions to the areas outlined above in ParaView as a Service. We have investigated concurrent pipelines, streaming images, progressive rendering, and optimization of algorithms and data movement to address these concerns. For the Phase I project, we completed the proposed work plan. As a result, the project produced three prototypes of essential importance for web visualization and the ParaView as a Service community. We created a simple desktop application for an interactive streamline placement prototype, a web-based interactive streamline placement prototype, and a web-based progressive rendering utilizing raytracing prototype. These prototypes relied on the hardening of emerging software toolkits funded by the Department of Energy (DOE) Advanced Scientific Computing Research (ASCR) program (such as ParaView, VTK-m, and Mochi). We blended these components into web-based visualization prototypes that meet the industry's expectations for interactivity and responsiveness. The Phase I project had four essential focus areas: 1. Develop prototype ParaView as a Service backend server using asynchronous, non-blocking design principles. 2. Develop a prototype web application that uses the ParaView as a Service backend server for remote data visualization. 3. Implement image streaming with encoding/compression and progressive rendering capabilities in the proposed platform. 4. Evaluate the prototype developed and summarize observations, including the challenges and pitfalls of our approach. After our successful completion of Phase I, we are strongly positioned to propose a successful Phase II project.

Geveci, Berk↗
DOE OSTI2021

CyProduct: A software tool for accurately predicting the byproducts of human cytochrome P450 metabolism

In silico metabolism prediction is a cheminformatic task of autonomously predicting the set of metabolic byproducts produced from a specified molecule and a set of enzymes or reactions. Here we describe a novel machine-learned in silico cytochrome P450 (CYP450) metabolism prediction suite, called CyProduct, that accurately predicts metabolic byproducts for a specified molecule and a human CYP450 isoform. It includes three modules: (1) CypReact, a tool that predicts if the query compound reacts with a given CYP450 enzyme; (2) CypBoM, a tool that accurately predicts the “bond site” of the reaction (i.e., which specific bonds within the query molecule react with the CYP isoform); and (3) MetaboGen, a tool that generates the metabolic byproducts based on CypBoM’s bond-site prediction. CyProduct predicts metabolic biotransformation products for each of the nine most important human CYP450 enzymes. CypBoM uses an important new concept called “Bond of Metabolism” (BoM), which extends the traditional “Site of Metabolism" (SoM) by specifying the information about the set of chemical bonds that is modified or formed in a metabolic reaction (rather than the specific atom). We created a BoM database for 3487 CYP450-mediated Phase I reactions, then used this to train the CypBoM Predictor to predict the reactive bond locations on substrate molecules. CypBoM Predictor’s cross-validated Jaccard score for reactive bond prediction ranged from 0.380 to 0.452 over the nine CYP450 enzymes. Over variants of a test set of 72 known CYP450 substrates and 30 non-reactants, CyProduct outperformed the other packages -- including ADMET Predictor, BioTransformer and GLORY -- by an average of 200% (wrt Jaccard score) in terms of predicting metabolites. The CyProduct suite and the datasets are freely available at https://bitbucket.org/wishartlab/cyproduct/src/master/.

Machine learning, Cytochrome P450, Metabolism pred↗
DOE OSTI2018

An Innovative Software Tool Suite for Power Plant Model Validation and Parameter Calibration using PMU Measurements

Maintaining good quality of power plant stability models is of critical importance to ensure the secure and economic operation and planning of today’s power grid with its increasing stochastic and dynamic behavior. According to North American Electric Reliability (NERC) standards, all generators in North America with capacities larger than 10 MVA are required to validate their models every five years. Validation is quite costly and can significantly affect the revenue of generator owners, because the traditional staged testing requires generators to be taken offline. Over the past few years, validating and calibrating parameters using online measurements including phasor measurement units (PMUs) and digital fault recorders (DFRs) has been proven to be a cost-effective approach. In this paper, an innovative open-source tool suite is presented for validating power plant models using PPMV tool, identifying bad parameters with trajectory sensitivity analysis, and finally calibrating parameters using an ensemble Kalman filter (EnKF) based algorithm. The architectural design and the detailed procedures to run the tool suite are presented, with results of test on a realistic hydro power plant using PMU measurements for 12 different events. The calibrated parameters of machine, exciter, governor and PSS models demonstrate much better performance than the original models for all the events and show the robustness of the proposed calibration algorithm.

Li, Yuanyuan↗
DOE OSTI2018

HiSpatialCluster: A novel high‐performance software tool for clustering massive spatial points

Abstract In the era of big data, spatial clustering is a very important means for geo‐data analysis. When clustering big geo‐data such as social media check‐in data, geotagged photos, and taxi trajectory points, traditional spatial clustering algorithms are facing more challenges. On the one hand, existing spatial clustering tools cannot support the clustering of massive point sets; on the other hand, there is no perfect solution for self‐adaptive spatial clustering. In order to achieve clustering of millions or even billions of points adaptively, a new spatial clustering tool—HiSpatialCluster—was proposed, in which the CFSFDP (clustering by fast search and finding density peaks) idea to find cluster centers and the DBSCAN (density‐based spatial clustering of applications with noise) idea of density‐connect filtering for classification are introduced. The tool’s source codes and other resources have been released on Github, and experimental evaluation was performed through clustering massive taxi trajectory points and Flickr geotagged photos in Beijing, China. The spatial clustering results were compared with those through K‐means and DBSCAN as well. As a spatial clustering tool, HiSpatialCluster is expected to play a fundamental role in big geo‐data research. First, this tool enables clustering adaptively on massive point datasets with uneven spatial density distribution. Second, the density‐connect filter method is applied to generate homogeneous analysis units from geotagged data. Third, the tool is accelerated by both parallel CPU and GPU computing so that millions or even billions of points can be clustered efficiently.

Chen, Yiran↗
DOE OSTI2022

Introduction to the Special Issue on Software Tools for Quantum Computing: Part 1

Quantum computing is emerging as a remarkable technology that offers the possibility of achieving major scientific breakthroughs in many areas. Here, by leveraging the unique features of quantum mechanics, quantum computers may be instrumental in advancing many areas, including science, energy, defense, medicine, and finance. This includes solving complex problems whose solution lies well beyond the capacity of contemporary and even future supercomputers that are based on conventional computing technologies. As a foundation for future generations of computing and information processing, quantum computing represents an exciting area for developing new ideas in computer science and computational engineering.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Introduction to the Special Issue on Software Tools for Quantum Computing: Part 2

Quantum computing is emerging as a remarkable technology that offers the possibility of achieving major scientific breakthroughs in many areas. By leveraging the unique features of quantum mechanics, quantum computers may be instrumental in advancing many areas, including science, energy, defense, medicine, and finance. This includes solving complex problems whose solution lies well beyond the capacity of contemporary and even future supercomputers that are based on conventional computing technologies. As a foundation for future generations of computing and information processing, quantum computing represents an exciting area for developing new ideas in computer science and computational engineering.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

AFUE Analysis Software Tool

The Annual Fuel Utilization Efficiency (AFUE) analysis of residential and light commercial furnaces follows ANSI/ASHRAE Standard 103-2017 (i.e., Method of Testing for Annual Fuel Utilization Efficiency of Residential Central Furnaces and Boilers) . The analysis is a complex, comprehensive method based on furnace configuration and specific components equipped, requiring detailed furnace testing and measurement data. For this reason, an AFUE Analysis Tool using Microsoft Excel enabled with Visual Basic for Applications (VBA) was developed with a user-friendly interface and comprehensive coverage. The tool consists of three worksheets: unit and configuration selection, geometry and measurement data input, and AFUE plus key results. This tool can be used to estimate the AFUE of both condensing and noncondensing furnaces with single-stage, two-stage, and step-modulating functions. The tool was validated with experimental data from Oak Ridge National Laboratory’s natural gas furnace projects that are commercially available. The results indicate the tool is reasonably accurate in the evaluation of a new R&D modified furnace unit.

Gao, Zhiming [Oak Ridge National Laboratory (ORNL)↗
DOE OSTI2023

Operational Energy Life Cycle Data Development for the National Institute of Standards And Technology (NIST) Building Industry Reporting and Design for Sustainability (BIRDS) Neutral Environmental Software Tool (NEST)

For this analysis, regionalized life cycle assessment (LCA) results for environmental impacts (using the Tool for Reduction and Assessment of Chemicals and Other Environmental Impacts [TRACI] 2.1) and cumulative energy demand (using the Federal Life Cycle Analysis Commons Elementary Flow List [FEDEFL] Inventory Methods v1.0.0) were evaluated for the production and utilization of electricity, natural gas, fuel oil, and propane as commodities within residential and commercial buildings. These results can used as a framework for future research into net zero, high-performance buildings, such as done here for the Building Industry Reporting and Design for Sustainability (BIRDS) database by the National Institute of Standards and Technology (NIST) Engineering Laboratory. The geographical results were assigned to each United States (U.S.) Zone Improvement Plan (ZIP) code based on the ZIP code location and corresponding Balancing Authority Area, natural gas basin, and Petroleum Administration for Defense Districts (PADDs). Additionally, previously developed models were utilized to develop future life cycle profiles. Projections were based on data available from the U.S. Energy Information Administration Annual Energy Outlook 2022 through 2050 (AEO 2022). Electricity LCA models were updated based on AEO 2022 projected annual generation mixes, while the natural gas baseline model was updated based on projected shares of natural gas types (conventional, shale, tight, and coalbed methane). Projections of crude oil production rates and export rates were applied to the petroleum baseline model in five-year increments to investigate their effects on the life cycle profile of fuel oil and propane. While only 100-year Global Warming Potential (GWP-100) with climate carbon feedback (CC-FB) and Cumulative Energy Demand are shown in Section 4: Results, the complete results, including Acidification Potential, Eutrophication Potential, Freshwater Ecotoxicity Potential, GWP-100 without inclusion of CC-FB, Human Health Impacts Potentials (Cancer, Non-Cancer), Ozone Depletion Potential, Particulate Matter Formation Potential, and Photochemical Smog Formation Potential, are tabulated for each ZIP code in the Excel worksheets that accompany this analysis. For the Excel spreadsheet tools associated with this report, please go to https://www.netl.doe.gov/energy-analysis/details?id=f8890fac-be55-44ac-aaa9-e2888bfabe93

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗