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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Using Parameter Sweep in WaterTAP to Analyze New Water Treatment Technologies

We describe a powerful and generalized parameter sweep tool in this report that was originally developed to analyze the performance of existing and novel water treatment models being developed in WaterTAP. Since WaterTAP is built upon IDAES and Pyomo, the parameter sweep tool can be used to systematically explore and debug the behavior of most Pyomo and IDAES numerical models. In order to enable meaningful analyses, the parameter sweep tool has been designed with the following features: 1) Model flexibility: The parameter sweep tool does not enforce any restrictions on the types of models that can be used with it. As long as a Pyomo model can be solved and the parameter is active and mutable, the tool only needs functions that describe how to run the model, the sweep parameters, and the output quantities of interest. 2) Flexible sampling: The parameter sweep tool has inbuilt functions to generate samples from a random distribution or a multidimensional Euclidean space. Furthermore, the users have to ability to supply samples generated from a tool of their choice. 3) Multiple sweep types: A user can choose from one of 3 types of parameter sweeps depending on their needs. 4) Detailed outputs: Outputs generated by the parameter sweep tool can be stored in detailed H5 file or user-friendly CSV files for post processing. 5) Parallel computing: The parameter sweep supports shared and distributed memory parallel computing to enable the use of high performance computers (HPC) for large-scale analyses. 6) Modular: The parameter sweep tool is self-contained and can easily be integrated within an outer-loop analysis or as desired by the user. 7) Ease of use: The tool is well documented and a simple sweep can be easily executed by following the online documentation in a few lines of code. We demonstrate the use of the parameter sweep tool on a simple water treatment system from the WaterTAP repository and show its parallel scaling performance on an Apple laptop and NREL's Eagle HPC. The parameter sweep tool is actively being used with models currently being developed within WaterTAP and we expect its use to grow beyond it to other IDAES and Pyomo models.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Using containers to speed up development, to run integration tests and to teach about distributed systems

GlideinWMS is a workload manager provisioning resources for many experiments including CMS and DUNE. The software is distributed both as native packages and specialized production containers. Following an approach used in other communities like web development we built our workspaces, system-like containers to ease development and testing. Developers can change the source tree or check out a different branch and quickly reconfigure the services to see the effect of their changes. In this paper, we’ll talk about what differentiates workspaces from other containers. We’ll describe our base system composed of three containers. A one-node cluster including a compute element and a batch system. A GlideinWMS Factory controlling pilot jobs. And a scheduler and Frontend, to submit jobs and provision resources. Additional containers can be used for optional components. This system can easily run on a laptop and we’ll share our evaluation of different container runtimes, with an eye for ease of use and performance. Finally, we’ll talk about our experience as developers and with students. The GlideinWMS workspaces are easily integrated with IDEs like VS Code, simplifying debugging and allowing development and testing of the system also when offline. They simplified the training and onboarding of new team members and Summer interns. And they were useful in workshops where students could have first-hand experience with the mechanisms and components that, in production, run millions of jobs.

Mambelli, Marco↗
DOE OSTI2024

Modular Subsurface Sensors and Integrated Software for Advanced Subsurface Characterization and Monitoring using Unoccupied Vehicles

The advent and subsequent proliferation of autonomous airborne, waterborne, and groundbased vehicles (i.e., “drones”) promises to broadly transform the geosciences and associated industries, including fossil energy exploration and development, mineral resource exploration and development, water-resource management, and environmental remediation. For geophysical characterization and monitoring, the prospect of programming highly repeatable and low-cost drone missions for subsurface imaging will allow for deployments in hazardous and previously inaccessible areas. Coupled with autonomous workflows for data processing, management, and visualization, drone-based geophysical characterization and monitoring will enable unprecedented, real-time insight into diverse subsurface properties and processes of scientific and engineering importance. Toward this end, the objectives of this Lab Directed Research and Development (LDRD) project were to develop new (1) instrumentation for dronebased electromagnetic induction (EMI) geophysical imaging, including separated transmitter and receivers and associated electronics, (2) software for real-time data telemetry, processing, management, and visualization. Although EMI has been previously deployed using unoccupied aerial systems (UASs), these applications failed to capitalize on the game-changing capabilities of drone platforms. Whereas drone-based data acquisition allows for collection of rich, three-dimensional (3D) multi-offset/multi-angle configurations between transmitters and receivers, past efforts have relied on conventional instrumentation that was designed for ground-based data collection with the transmitter and a single receiver housed in the same unit; nor did these previous applications demonstrate real-time delivery of results to support rapid management decisions in the field. In this 1-year project, we (1) designed and constructed new lightweight independent transmitter and receiver antenna platforms that communicate with a laptop computer; (2) developed software to control data acquisition, manage/transfer data, and visualize data as its collected; and (3) demonstrated the operation of the new hardware and software systems in a ground-based field test. Our work entails major technological advances for EMI and established a foundation on which to build a new drone-based, real-time geophysical EMI imaging capability to support diverse challenges facing the nation.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

The QUIC Start Guide (V.6.4.9)

QUIC stands for the Quick Urban & Industrial Complex (QUIC) dispersion modeling system. QUIC is a fast response urban dispersion model that runs on a laptop. QUIC is comprised of a 3D wind field model called QUIC-URB, a transport and dispersion model called QUIC-PLUME, and graphical user interface called QUIC-GUI. QUIC also includes QUIC-PRESSURE to solve for pressure fields in and around buildings, a population exposure assessment tool called QUIC-POP, and an indoor infiltration calculator for computing indoor concentrations. Transport and dispersion for different types of airborne contaminants can be computed on building to neighborhood scales in tens of seconds to tens of minutes. QUIC will never give perfect answers, but it will account for the effects of buildings in an approximate way and provide more realism than non-building aware dispersion models.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Hydroscanner: Instrumentation for Water Ingress Imaging in Photovoltaic Module Packaging Materials

A new iteration of the Hydroscanner prototype was designed and built during the execution of the contract. Compared to the previous designs, the communication port was changed from ethernet to USB C, since it provides a more seamless integration as a peripheral unit. An additional advantage is that one single port can be used for both communication and power up of the infrared camera. Although the power requirements are higher than the typical amount provided by a laptop computer, the camera can be run as a peripheral from a docking station when connected to a thunderbolt charging port. The software interface was modified to accommodate two imaging modes, an 8-bit and 14-bit image display. The 8-bit images use a custom colorization scheme that divides all pixels in the image into bins of equal width, such that images containing a wide range of brightness display the intermediate pixel intensities in greyscale values that enhance the contrast. The 14-bit images provide the direct readout from the focal plane array of the camera and can be saved as a text file for later processing in other software packages (MATLAB, Python).

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Benchmarking a Defeatured Geant4 NIF Model with HTOAD and HNED Neutron Data

This study benchmarks a simplified Geant4 NIF Target Chamber (TC) model against foil measurements in two instruments: the HTOAD and HNED Snout. The number of product atoms per source neutron per gram ( N 0 /n/g ) is compared across multiple locations and material configurations. The model reproduces high energy threshold reactions dominated by 14 MeV neutrons to within a few percent, depending on location. Discrepancies occur where scattering and moderation are significant for low energy threshold reactions. The defeatured Geant4 model achieves comparable statistical precision with ∼400 times less CPU time than a full fidelity TC model in MCNP. The results can be produced locally on a laptop without the need for high performance computing. Low energy biasing can be improved by preserving room return pathways and implementing IRDFF cross section evaluations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

HPC-Enabled Optimization of High Temperature Heat Exchangers (CRADA Final Report)

This project was a collaborative effort between Lawrence Livermore National Security, LLC (LLNS) as manager and operator of Lawrence Livermore National Laboratory (LLNL) and Materials Sciences, LLC, to develop a technology for design and optimization of heat exchangers using powerful desktop and laptop computers. The project was originally designated as a 12-month project, and consisted of 3# major tasks and the following 8# major deliverables: 1) CFD models of 3D heat exchangers based on existing and new geometry. 2) Validation against experimental data provided by MSC and published in the literature. 3) CFD models of 3D unit cells based on TPMS. 4) Surrogate models capable of delivering the gradients of the homogenized properties with respect to the parametrization. 5) 3D design methodology using TO algorithms. 6) Conventional reference and topology optimized designs. 7) 3D optimized designs stored in a 3D printer build format. 8) Verification of the improved performance. All of the deliverables for this project were successfully completed with two no-cost time extensions.

36 MATERIALS SCIENCE↗
DOE OSTI2026

HPC-Enabled Optimization of High Temperature Heat Exchangers (CRADA Final Report)

This project was a collaborative effort between Lawrence Livermore National Security, LLC (LLNS) as manager and operator of Lawrence Livermore National Laboratory (LLNL) and Materials Sciences, LLC, to develop a technology for design and optimization of heat exchangers using powerful desktop and laptop computers. The project was originally designated as a 12-month project, and consisted of 3# major tasks and the following 8# major deliverables: 1) CFD models of 3D heat exchangers based on existing and new geometry. 2) Validation against experimental data provided by MSC and published in the literature. 3) CFD models of 3D unit cells based on TPMS. 4) Surrogate models capable of delivering the gradients of the homogenized properties with respect to the parametrization. 5) 3D design methodology using TO algorithms. 6) Conventional reference and topology optimized designs. 7) 3D optimized designs stored in a 3D printer build format. 8) Verification of the improved performance. All of the deliverables for this project were successfully completed with two no-cost time extensions.

13 HYDRO ENERGY↗
DOE OSTI2024

Efficient Leaching of Metal Ions from Spent Li-Ion Battery Combined Electrode Coatings Using Hydroxy Acid Mixtures and Regeneration of Lithium Nickel Manganese Cobalt Oxide

Extensive use of Li-ion batteries in electric vehicles, electronics, and other energy storage applications has resulted in a need to recycle valuable metals Li, Mn, Ni, and Co in these devices. In this work, an aqueous mixture of glycolic and lactic acid is shown as an excellent leaching agent to recover these critical metals from spent Li-ion laptop batteries combined with cathode and anode coatings without adding hydrogen peroxide or other reducing agents. An aqueous acid mixture of 0.15 M in glycolic and 0.35 M in lactic acid showed the highest leaching efficiencies of 100, 100, 100, and 89% for Li, Ni, Mn, and Co, respectively, in an experiment at 120 °C for 6 h. Subsequently, the chelate solution was evaporated to give a mixed metal-hydroxy acid chelate gel. Pyrolysis of the dried chelate gel at 800 °C for 15 h could be used to burn off hydroxy acids, regenerating lithium nickel manganese cobalt oxide, and the novel method presented to avoid the precipitation of metals as hydroxide or carbonates. The Li, Ni, Mn, and Co ratio of regenerated lithium nickel manganese cobalt oxide is comparable to this metal ratio in pyrolyzed electrode coating and showed similar powder X-ray diffractograms, suggesting the suitability of α-hydroxy carboxylic acid mixtures as leaching agents and ligands in regeneration of mixed metal oxide via pyrolysis of the dried chelate gel.

Electrochemistry↗
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 OSTI2024

Predicting Mechanical Properties from Microstructure Images in Fiber-Reinforced Polymers Using Convolutional Neural Networks

Evaluating the mechanical response of fiber-reinforced composites can be extremely time-consuming and expensive. Machine learning (ML) techniques offer a means for faster predictions via models trained on existing input–output pairs and have exhibited success in composite research. This paper explores a fully convolutional neural network modified from StressNet, which was originally used for linear elastic materials, and extended here for a non-linear finite element (FE) simulation to predict the stress field in 2D slices of segmented tomography images of a fiber-reinforced polymer specimen. The network was trained and evaluated on data generated from the FE simulations of the exact microstructure. The testing results show that the trained network accurately captures the characteristics of the stress distribution, especially on fibers, solely from the segmented microstructure images. The trained model can make predictions within seconds in a single forward pass on an ordinary laptop, given the input microstructure, compared to 92.5 h to run the full FE simulation on a high-performance computing cluster. These results show promise in using ML techniques to conduct fast structural analysis for fiber-reinforced composites and suggest a corollary that the trained model can be used to identify the location of potential damage sites in fiber-reinforced polymers.

Sun, Yixuan (ORCID:0000000311093380)↗
DOE OSTI2025

Using Containers to Speed Up Development, to Run Integration Tests and to Teach About Distributed Systems

GlideinWMS is a workload manager provisioning resources for many experiments, including CMS and DUNE. The software is distributed both as native packages and specialized production containers. Following an approach used in other communities like web development, we built our workspaces, system-like containers to ease development and testing. Developers can change the source tree or check out a different branch and quickly reconfigure the services to see the effect of their changes. In this paper, we will talk about what differentiates workspaces from other containers. We will describe our base system, composed of three containers: a one-node cluster including a compute element and a batch system, a GlideinWMS Factory controlling pilot jobs, and a scheduler and Frontend to submit jobs and provision resources. Additional containers can be used for optional components. This system can easily run on a laptop, and we will share our evaluation of different container runtimes, with an eye for ease of use and performance. Finally, we will talk about our experience as developers and with students. The GlideinWMS workspaces are easily integrated with IDEs like VS Code, simplifying debugging and allowing development and testing of the system even when offline. They simplified the training and onboarding of new team members and summer interns. And they were useful in workshops where students could have first-hand experience with the mechanisms and components that, in production, run millions of jobs.

Mambelli, Marco [Fermilab] (ORCID:0000000294892681↗
DOE OSTI2020

Tools to perform data reduction of time-of-flight data taken on BL4A (MagRef)—a Jupyter notebook approach

A collection of modules or tools to produce reflectivity profiles from data acquired with unpolarized and polarized neutron beams using the BL4A (MagRef) instrument at the Spallation Neutron Source. The Jupyter notebook approach offers transparency to the user on what is done with the data, and once the event mode data are stored as NumPy binary files empowers the user to perform the steps from their own laptop without the need for Mantid. The notebook offers two options for background subtraction, applies corrections for the wavelength dependence of the polarizer and flipper efficiencies, accounts for Zeeman energy splitting of the spin-flip channels, Qz-bins the data along contours of constant Qz, propagates errors and writes results in text format suitable for analysis with tools such as GenX.

Fitzsimmons, Michael [Oak Ridge Associated Univ., ↗
DOE OSTI2021

ParFlow

ParFlow is an open-source, modular, parallel watershed flow model. It includes fully-integrated overland flow, the ability to simulate complex topography, geology and heterogeneity and coupled land-surface processes including the land-energy budget, biogeochemistry and snow (via CLM). It is multi-platform and runs with a common I/O structure from laptop to supercomputer. ParFlow is the result of a long, multi-institutional development history and is now a collaborative effort between CSM, LLNL, UniBonn and UCB. ParFlow has been coupled to the mesoscale, meteorological code ARPS and the NCAR code WRF.

Smith, Steven↗
DOE OSTI2021

ParFlow

ParFlow is an open-source, modular, parallel watershed flow model. It includes fully-integrated overland flow, the ability to simulate complex topography, geology and heterogeneity and coupled land-surface processes including the land-energy budget, biogeochemistry and snow (via CLM). It is multi-platform and runs with a common I/O structure from laptop to supercomputer. ParFlow is the result of a long, multi-institutional development history and is now a collaborative effort between CSM, LLNL, UniBonn and UCB. ParFlow has been coupled to the mesoscale, meteorological code ARPS and the NCAR code WRF.

Smith, Steven↗
DOE OSTI2020

Mini Micropulse Lidar measurements in vertical and scanning modes

The Atmospheric Radiation Measurement (ARM) program operates ten Sigma Space (currently Droplet Measurement Technologies/DMT) micropulse lidar systems (MPL-4B-IDS/POL-FS series), which detect the backscattered light in two orthogonal linear polarization channels allowing to distinguish between spherical (e.g. water) and non-spherical (e.g. ice) scattering particles. The ARM MPLs have been providing valuable measurements to the aerosol and cloud research community for well over a decade. DMT’s Mini-Micropulse lidar (MiniMPL) is a compact version of the standard MPL. It reduces the power-aperture product to minimize cost, size, weight, power requirements and has all the electronics integrated with optics in a single box. Although as a result, it has a lower detection range than the MPL, limiting the measurements to the troposphere, its performance is promised to match that of the standard MPL within the troposphere. The MiniMPL weighs 13 kg, and the complete system, consisting of an optical transceiver and a laptop running the data acquisition and post-processing software, fits in a storm case, allowing its transport on domestic or international flights. This can be especially valuable for short field campaigns or Intensive Operational Periods, where time is of the essence when replacing a faulty instrument. In addition, the scanning polarization lidar capability (MiniMPL-SCAN option) could be of great interest for satisfying ARM measurement needs for certain research topics related to clouds and precipitation. To evaluate its full potential in comparison with co-located remote sensing instruments including the ARM MPL-4B-IDS/POL-FS at SGP, a miniMPL was hosted at the ARM Southern Great Plains (SGP) mega-site in 2020 for approximately 3 months. During this time the miniMPL was tested in both vertical sampling and scanning modes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

DMTN-165: A Hybrid Notification and Alert Retrieval Service

We consider the implications of providing a subset of alert packet contents in the alert stream, with the full alert packets available for rate-limited retrieval using an identifier included in the "lightweight" alert. This hybrid approach would enable much wider dissemination of the complete lightweight alert stream, potentially to thousands more users than is possible in the current baseline. In turn this "alerts on your laptop" access would allow users to conduct more sophisticated filtering and analysis than the current Alert Filtering Service, increasing the overall scientific returns of the alert stream. Community brokers would still be able to retrieve all of the contents of the full alert stream within the 60 second latency window and would gain greater control over their ingestion of the bulk alert data. Technically, this hybrid system may represent a modest increase in complexity over the current baseline but is likely to be more operationally robust.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Collaborative Exploration of Scientific Datasets Using Immersive and Statistical Visualization: Preprint

We discuss the value of collaborative, immersive visualization for the exploration of scientific datasets and review techniques and tools that have been developed and deployed at the National Renewable Energy Laboratory (NREL). We believe that collaborative visualizations linking statistical interfaces and graphics on laptops and high-performance computing (HPC) with 3D visualizations on immersive displays (head-mounted displays and large-scale immersive environments) enable scientific workflows that further rapid exploration of large, high-dimensional datasets by teams of analysts. We present a framework, PlottyVR, that blends statistical tools, general-purpose programming environments, and simulation with 3D visualizations. To contextualize this framework, we propose a categorization and loose taxonomy of collaborative visualization and analysis techniques. Finally, we describe how scientists and engineers have adopted this framework to investigate large, complex datasets.

collaborative visualization↗