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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Understanding Defect Activation and Kinetics in Next Generation CdTe Absorbers

This project investigated the role of defects and dopants in cadmium telluride (CdTe) solar cells to improve efficiency and long-term stability. Advanced X-ray microscopy and spectroscopy techniques were used to map composition, identify defect structures, and measure charge collection at the nanoscale. These experimental results were combined with computational modeling to understand how dopants such as copper and arsenic interact with other elements during processing. The study found that many dopants become electrically inactive due to the formation of complexes with chlorine and oxygen, limiting carrier concentration and device performance. It also showed that selenium, used to enhance efficiency, can migrate within the material during both manufacturing and operation, altering local structure and potentially affecting stability. The project developed new diagnostic and analysis tools for studying photovoltaic materials and provided a mechanistic understanding of key performance limitations. These insights support the development of more efficient, stable, and cost-effective CdTe solar technologies for large-scale energy deployment.

14 SOLAR ENERGY↗
DOE OSTI2021

Sensitivity Analysis of MFiX-PIC Parameters Using Nodeworks, PSUADE, and DAKOTA

The study presented in this report was aimed to demonstrate UQ analysis performed not only with Nodeworks, but also two other well-established UQ software tools from the U.S. DOE’s National Laboratories (PSUADE from Lawrence Livermore National Laboratory and DAKOTA from Sandia National Laboratory). It is important to emphasize that the motivation of this study was not to determine the best UQ software, but to verify if the global sensitivity analyses from the end-to-end workflow in Nodeworks are consistent with the results of other two UQ software. The components of Nodeworks from Python’s ecosystem have been tested as standalone libraries. However, an assessment study for the complete workflow targeting a specific UQ analysis has not been performed for Nodeworks. Hence, this study is expected to serve as an equivalent of solution verification for Nodeworks using other established UQ tools as reference solution. For this purpose, three distinct flow configurations (i.e., settling bed, bubbling fluidized, and circulating fluidized bed) have been used as representative multiphase flow problems of interest. The results of the systematic simulation campaigns performed in an earlier study using the particle-in-cell (PIC) approach in the Multiphase Flow with Interphase eXchanges (MFIX) suite of solvers (i.e., MFiX-PIC) was utilized. The same set of tabulated results was provided as input to the different UQ software for global sensitivity analysis. Results for the three cases indicate that based on the Sobol’ Sensitivity Indices method the order of importance ranking determined by Nodeworks for the Sobol’ Total Sensitivity Indices is consistent with PSUADE and DAKOTA in each case for the five model parameters considered. The input files for Nodeworks for the three cases are also shared through NETL’s Gitlab repository for the reader interested in reproducibility and further analysis (See Section 1.2).

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

The Role of Sensitivity Analysis in the Building Performance Analysis: A Critical Review

A building system is highly nonlinear and commonly includes a variety of parameters ranging from the architectural design to the building mechanical and energy system. Serving as a powerful tool to understand the complicated building system, sensitivity analysis (SA) has been receiving increasing attention in the recent decade. This review paper focused on the application of SA in the building performance analysis (BPA). First, the existing review papers on the application of SA for BPA were briefly reviewed and summarized. Then, a large amount of recent SA case studies in BPA were reviewed. The critical information regarding the implementation of a SA, such as the sampling method, the SA method, etc., were extracted and summarized. Next, an extensive analysis was performed to evaluate the role of the SA in the BPA. This includes: 1) The typical selection of the input and output parameters for the SA were visualized; 2) The uncertainty level and sampling strategies for the input parameters were investigated; 3) The principles, benefits, and drawbacks of the SA methods were analyzed and summarized; and 4) The various tools used in the SA, including the simulation software, sampling tools, and SA tools were introduced to facilitate the practitioners. Lastly, several conclusions were summarized on the role of the SA in the BPA. Suggestions were also provided to offer practical solutions to the current challenges.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

Commercialization of a Non-Intrusive Optical (NIO) Technology to Measure Heliostat Optical Errors in Utility-Scale Concentrating Solar Power Plants: Final TCF Report

The drone-based Non-Intrusive Optical (NIO) Technology has been developed at NREL to allow for efficient and automated optical characterization of heliostats in Concentrating Solar Power (CSP) plants. For this project, the technology will be developed into a commercial tool package, including software and user-interface (UI), operations manual, and training and support services. The project team will partner with Tietronix to perform market assessment and stakeholder engagement, develop the tool package and business model, and perform data collection and analysis to demonstrate and refine the capabilities for use at a commercial plant. The team will collaborate with a commercial plant to conduct the data collection operations and provide optical error deliverables. The goal of the project is to advance the commercialization of the technology to a stage where a beta version can be demonstrated at additional commercial plants and developed into a licensable product.

14 SOLAR ENERGY↗
DOE OSTI2026

Advancing Agrivoltaic Modeling With ADAM

Designing an agrivoltaic system presents a complex set of tradeoffs around PV system configuration, resulting performance, agricultural needs, and system economics. Developing tools for agrivoltaic analysis can assist system designers when making decisions related to these tradeoffs. We are developing the Agrivoltaics Design and Analysis Model (ADAM) as a free, publicly available web tool for agrivoltaics economics analysis. Features of ADAM include automated calculations for available agrivoltaic cropland, user-friendly configuration changes, inter-row irradiance calculations, and integrated economic modeling of energy and non-energy revenues. We will discuss the iterative process of agrivoltaic tool development including tradeoffs between accuracy and uncertainty, feature prioritization, and ease of use driven by our multi-disciplinary stakeholder design process. Finally, we will share modeling results from existing agrivoltaics systems as a preliminary case study.

14 SOLAR ENERGY↗
DOE OSTI2021

PyKrev: A Python Library for the Analysis of Complex Mixture FT-MS Data

In this study, we present PyKrev, a Python library for the analysis of complex mixture Fourier transform mass spectrometry (FT-MS) data. PyKrev is a comprehensive suite of tools for analysis and visualization of FT-MS data after formula assignment has been performed. These comprise formula manipulation and calculation of chemical properties, intersection analysis between multiple lists of formulas, calculation of chemical diversity, assignment of compound classes to formulas, multivariate analysis, and a variety of visualization tools producing van Krevelen diagrams, class histograms, PCA score, and loading plots, biplots, scree plots, and UpSet plots. The library is showcased through analysis of hot water green tea extracts and Scotch whisky FT-ion cyclotron resonance-MS data sets. PyKrev addresses the lack of a single, cohesive toolset for researchers to perform FT-MS analysis in the Python programming environment encompassing the most recent data analysis techniques used in the field.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Improving Detection of Disease Re-emergence Using a Web-Based Tool (RED Alert): Design and Case Analysis Study

Background: Currently, the identification of infectious disease re-emergence is performed without describing specific quantitative criteria that can be used to identify re-emergence events consistently. This practice may lead to ineffective mitigation. In addition, identification of factors contributing to local disease re-emergence and assessment of global disease re-emergence require access to data about disease incidence and a large number of factors at the local level for the entire world. This paper presents Re-emerging Disease Alert (RED Alert), a web-based tool designed to help public health officials detect and understand infectious disease re-emergence. Objective: Our objective is to bring together a variety of disease-related data and analytics needed to help public health analysts answer the following 3 primary questions for detecting and understanding disease re-emergence: Is there a potential disease re-emergence at the local (country) level? What are the potential contributing factors for this re-emergence? Is there a potential for global re-emergence? Methods: We collected and cleaned disease-related data (eg, case counts, vaccination rates, and indicators related to disease transmission) from several data sources including the World Health Organization (WHO), Pan American Health Organization (PAHO), World Bank, and Gideon. We combined these data with machine learning and visual analytics into a tool called RED Alert to detect re-emergence for the following 4 diseases: measles, cholera, dengue, and yellow fever. We evaluated the performance of the machine learning models for re-emergence detection and reviewed the output of the tool through a number of case studies. Results: Our supervised learning models were able to identify 82%-90% of the local re-emergence events, although with 18%-31% (except 46% for dengue) false positives. This is consistent with our goal of identifying all possible re-emergences while allowing some false positives. The review of the web-based tool through case studies showed that local re-emergence detection was possible and that the tool provided actionable information about potential factors contributing to the local disease re-emergence and trends in global disease re-emergence. Conclusions: To the best of our knowledge, this is the first tool that focuses specifically on disease re-emergence and addresses the important challenges mentioned above.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

I/O Bottleneck Detection and Tuning: Connecting the Dots using Interactive Log Analysis

Using parallel file systems efficiently is a tricky problem due to inter-dependencies among multiple layers of I/O software, including high-level I/O libraries (HDF5, netCDF, etc.), MPI-IO, POSIX, and file systems (GPFS, Lustre, etc.). Profiling tools such as Darshan collect traces to help understand the I/O performance behavior. However, there are significant gaps in analyzing the collected traces and then applying tuning options offered by various layers of I/O software. Seeking to connect the dots between I/O bottleneck detection and tuning, we propose DXT Explorer, an interactive log analysis tool. In this paper, we present a case study using our interactive log analysis tool to identify and apply various I/O optimizations. We report an evaluation of performance improvement achieved for four I/O kernels extracted from science applications.

Bez, Jean Luca↗
DOE OSTI2020

Slycat Enables Synchronized 3D Comparison of Surface Mesh Ensembles [Brief]

In support of analyst requests for Mobile Guardian Transport studies, researchers at Sandia National Laboratories have expanded data types for the Slycat ensemble-analysis and visualization tool to include 3D surface meshes. This new capability represents a significant advance in our ability to perform detailed comparative analysis of simulation results. Analyzing mesh data rather than images provides greater flexibility for post-processing exploratory analysis.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Modeling Data Movement Performance on Heterogeneous Architectures

The cost of data movement on parallel systems varies greatly with machine architecture, job partition, and nearby jobs. Performance models that accurately capture the cost of data movement provide a tool for analysis, allowing for communication bottlenecks to be pinpointed. Modern heterogeneous architectures yield increased variance in data movement as there are a number of viable paths for inter-GPU communication. In this paper, we present performance models for the various paths of inter-node communication on modern heterogeneous architectures, including the trade-off between GPUDirect communication and copying to CPUs. Furthermore, we present a novel optimization for inter-node communication based on these models, utilizing all available CPU cores per node. Finally, we show associated performance improvements for MPI collective operations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Mirostructure Characterization of Friction Consolidated Copper-Nickel using a Machine Learning Approach: Developing Process to Microstructure Associations

Friction consolidation (FC) is a solid phase processing approach where discrete material forms such as powders, chips, nuggets, etc. are densified via shear deformation. The precursors are placed in a billet container and brought in contact with a rotating tool that applying the desirable amount of normal force. Under the combined action of the rotation and normal pressure, the discrete precursor is consolidated through porosity reduction and shear deformation. FC is increasingly being studied as an attractive approach to manufacturing fully dense parts from powder forms owing to its ability to mix, alloy and consolidate difficult-to-process precursors in minimal number of process steps. Material consolidation and deformation in shear consolidation processes have been studied extensively previously for different material combinations previously. However, despite the extensive research in this area, understanding of the mechanistic processes in pore consolidation, deformation-induced mixing and material solubility during FC is still evolving. Material development using solid phase processing approaches such as FC is often performed based on research experience/education, which can be biased. Conventional analysis and simulation tools in this area tend to be successful only when material thermodynamic pathways and microstructural evolution sequences resulting from processing are clearly defined or known. They are not as effective for emerging advanced manufacturing technologies where material evolution pathways are not well established. The ability to predict optimal process parameters based on material chemistry and bulk properties is essential to accelerate materials design and processing, as are an understanding of the relevant structure-processing-property relationships. These structure-processing-property-performance relationships are at the core of materials science research. Microstructure characterization provides the link to these four core areas, often through visualizing material microstructure using imaging techniques. However, linking microstructure image data (i.e., micrographs) to variables of interest (e.g., processing parameters, material chemistry) in a reproducible, generalizable, and quantitative manner is a significant challenge. Typically, quantitatively linking image data to processing history relies on significant domain knowledge and manual or subject matter expert (SME)-heuristic based image analysis. Such an approach to image analysis has the potential to be biased, inefficient, and difficult to replicate.

36 MATERIALS SCIENCE↗
DOE OSTI2022

LoVoCCS. I. Survey Introduction, Data Processing Pipeline, and Early Science Results

We present the Local Volume Complete Cluster Survey (LoVoCCS; we pronounce it as "low-vox" or "law-vox," with stress on the second syllable), an NSF's National Optical-Infrared Astronomy Research Laboratory survey program that uses the Dark Energy Camera to map the dark matter distribution and galaxy population in 107 nearby (0.03 < z < 0.12) X-ray luminous ([0.1–2.4 keV] L X500 > 10 44 erg s –1 ) galaxy clusters that are not obscured by the Milky Way. The survey will reach Vera C. Rubin Observatory Legacy Survey of Space and Time (LSST) Year 1–2 depth (for galaxies r = 24.5, i = 24.0, signal-to-noise ratio (S/N) > 20; u = 24.7, g = 25.3, z = 23.8, S/N > 10) and conclude in ~2023 (coincident with the beginning of LSST science operations), and will serve as a zeroth-year template for LSST transient studies. We process the data using the LSST Science Pipelines that include state-of-the-art algorithms and analyze the results using our own pipelines, and therefore the catalogs and analysis tools will be compatible with the LSST. We demonstrate the use and performance of our pipeline using three X-ray luminous and observation-time complete LoVoCCS clusters: A3911, A3921, and A85. A3911 and A3921 have not been well studied previously by weak lensing, and we obtain similar lensing analysis results for A85 to previous studies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Verification of a Modeling Toolkit for the Design of Building Electrical Distribution Systems

DC electrical distribution systems offer many potential advantages over their AC counterparts. They can facilitate easier integration with distributed energy resources, improve system energy efficiency by eliminating AC/DC converters at end-use devices (e.g., laptop chargers), and reduce installation material, time, and cost. However, DC electrical distribution systems present additional design considerations, largely resulting from potentially greater magnitude and variation in cable losses. Modeling and simulation are rarely used to design such systems. However, the greater dependency of DC system energy efficiency on design choices such as distribution voltages, architecture, and integration of PV and BESS suggests that modeling and simulation may be required. Such system performance analysis is currently not a standard practice, in part due to limited availability and validation of capable software tools. This paper characterizes the accuracy of a Modelica-based Building Electrical Efficiency Analysis Model (BEEAM) toolkit, as a precursor for validating its use to perform system performance analysis and inform design decisions. The study builds upon previous verification research by characterizing complete systems comprised of commercially available equipment, and providing a more detailed analysis of simulation results. Five lighting systems with varying electrical distribution architectures were designed using market-available equipment, installed in a laboratory environment, modeled using BEEAM, and simulated using three Modelica integrated development environments (IDEs). Simulated and measured results were compared to characterize toolkit accuracy. Initial results revealed that simulated performance was mostly within ±5% of measured system-level and device-level performance. While simulation results were not found to be dependent on the IDE, some Modelica compiler interoperability issues were identified. Although the BEEAM toolkit showed promise for the targeted use case, further work is needed to determine whether the demonstrated 5% accuracy is sufficient for making real-world design decisions, and for BEEAM to advance from an interesting research tool to one that can impact real-world building projects.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

ASCENDS: Advanced data SCiENce toolkit for Non-Data Scientists

Recently, advances in machine learning and artificial intelligence have been playing more and more critical roles in a wide range of areas. For the last several years, industries have shown that how learning from data, identifying patterns and making decisions with minimal human intervention can be extremely useful to their business (e.g., image classification, recommending a product to a customer, finding friends in a social network, predicting customers actions, etc.). These success stories have been motivating scientists who study physics, chemistry, materials, medicine, and many other subjects, to explore a new pathway of utilizing machine learning techniques like regression and classification for their scientific activities. However, most existing machine learning tools, systems, and methodologies have been developed for programming experts but not for scientists (or any users) who have no or little knowledge of programming. ASCENDS is a toolkit that is developed to assist scientists (or any persons) who want to use their data for machine learning tasks, more specifically, correlation analysis, regression, and classification. ASCENDS does not require programming skills. Instead, it provides a set of simple but powerful CLI (Command Line Interface) and GUI (Graphic User Interface) tools for non-data scientists to be able to intuitively perform advanced data analysis and machine learning techniques. ASCENDS has been implemented by wrapping around opensource software including Keras, TensorFlow, and scikit-learn.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Steam Generator Model Design Parameter Sensitivity Study Using Advanced Optimization Tools

This study focuses on design parameter sensitivity studies pertaining to a steam generator (SG) model, using both Python and machine-learning tools. The SG model is a mathematical representation (including fluid flow and heat transfer equations/models/correlations) of a steam-generating unit in a pressurized water reactor (PWR)-type small modular reactor (SMR) system. Design studies involve changing the model’s input design parameters (e.g., temperature, pressure, mass flow rate) to observe the resulting effects on the output of the system (e.g., heat transfer coefficient [HTC], Nusselt number, heat transfer performance). Sensitivity studies analyze the degree to which system output and/or desired parameters (e.g., HTC or heat transfer performance) are sensitive to changes in input parameters. By using machine-learning tools such as the Risk Analysis Virtual Environment (RAVEN) developed at Idaho National Laboratory (INL), detailed design parametric sensitivity studies and model optimization were performed. Six input parameters—namely, the pressure, temperature, and mass flow rate for the inlet of the primary-side (hot fluid) and secondary-side (cold fluid) of the SG—were randomly perturbed via RAVEN’s Monte Carlo Sampler module, using uniform distributions (±1% relative changes). The analysis results give valuable insights into SG system performance and optimization, and provide justification for researching optimized sensor placement to effectively monitor and obtain experimental data.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2024

Steam Generator Model Design Parameter Sensitivity Study Using Advanced Optimization Tools

This study focuses on design parameter sensitivity studies pertaining to a steam generator (SG) model, using both Python and machine-learning tools. The SG model is a mathematical representation (including fluid flow and heat transfer equations/models/correlations) of a steam-generating unit in a pressurized water reactor (PWR)-type small modular reactor (SMR) system. Design studies involve changing the model’s input design parameters (e.g., temperature, pressure, mass flow rate) to observe the resulting effects on the output of the system (e.g., heat transfer coefficient [HTC], Nusselt number, heat transfer performance). Sensitivity studies analyze the degree to which system output and/or desired parameters (e.g., HTC or heat transfer performance) are sensitive to changes in input parameters. By using machine-learning tools such as the Risk Analysis Virtual Environment (RAVEN) developed at Idaho National Laboratory (INL), detailed design parametric sensitivity studies and model optimization were performed. Six input parameters—namely, the pressure, temperature, and mass flow rate for the inlet of the primary-side (hot fluid) and secondary-side (cold fluid) of the SG—were randomly perturbed via RAVEN’s Monte Carlo Sampler module, using uniform distributions (±1% relative changes). The analysis results give valuable insights into SG system performance and optimization, and provide justification for researching optimized sensor placement to effectively monitor and obtain experimental data.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗