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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 55 records · Page 3

Control and Management of Multiple Converters in a Residential Smart Grid

Power electronic systems are becoming a staple building block for electric grid networks. However, these systems have been largely designed to grid integrate in ad hoc configurations with little or no coordination of control. This work proposes a central controller and power electronic system hardware and software design for a residential system (photovoltaic, energy storage and residential building). This system supports auto-integration, plug and play capabilities, and optimal energy management to meet different use cases. Modelling and multi-day testing of the system have been conducted in a controller hardware-in-the-loop (C-HIL) testbed. Multiple use cases and pricing options have been considered as part of the simulation and testing. Results are presented of these systems as a proof of principle.

Starke, Michael↗

Exploration of Potential Superconducting Multi-Mode Cavity Architectures for Quantum Computing

This thesis describes the investigation of superconducting multi-mode cavity architecture for superconducting transmon-based quantum computing. The dissertation highlights useful features of radio-frequency cavities used for quantum computing, with a brief discussion on the advantages of superconducting cavities. In the subsequent section, the concept of transmon is introduced and the mechanism of coupling with a cavity is analyzed. Once the foundations of the topic are laid down, the thesis focuses on optimizing a multi-mode superconducting rf cavity design originally developed for high-energy physics applications. Such section articulates in two main parts, the first part concerning the "bare" cavity remake via finite-elements eigenmode simulations using a computer-aided design software called CST Studio Suite®. In the second part, a transmon qubit is physically inserted into the modified cavity to assess the qubit-cavity coupling of the new design. In evaluating said coupling, two distinct analysis methods are used, namely the black-box quantization method and the energy participation ratio method, both implemented using Ansys® High-Frequency Electromagnetic-Field Simulator, or HFSS™. Results from the two evaluations, compared together, show that the optimized design meets the requisites to be used for quantum computing purposes.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

BatteryPro: A Python Toolkit for Battery Data Analysis and Machine Learning Predictions

Analyzing battery test data for research & development can be time-consuming since battery tests often run on the order of months to years, generating large volumes of data. BatteryPro is a comprehensive Python package and software designed to facilitate advanced analysis and performance predictions for battery test data. Developed for battery researchers, it supports data types from widely used battery testing instruments, including MACCOR and Biologic cycling systems. The software provides a variety of tools for extracting and plotting key battery parameters such as time, voltage, capacity, current, and pressure. In addition to its extensive data analysis capabilities, BatteryPro features a dedicated machine learning module that employs a Bayesian Gaussian Mixture Model (GMM) to predict battery performance and degradation. Users can generate synthetic capacity fade data, calculate fade metrics, and leverage predictive models to forecast long-term battery behavior. The software's graphical user interface (GUI) enhances usability, allowing researchers to upload, merge, and analyze multiple data files with full customizability. The GUI also supports machine learning predictions, enabling users to fit models and make predictions based on selected data and parameters. BatteryPro is built using QtDesigner, scikit-learn, matplotlib, and pandas, ensuring a high level of customization, flexibility, and accuracy in battery data analysis. This tool aims to empower researchers with the ability to perform detailed battery analysis and make informed predictions, ultimately advancing the field of battery research.

25 - ENERGY STORAGE↗

Ascribe XR v0.1.0

Ascribe XR is an immersive visualization software designed for scientists and engineers working with 3D data sets. Its key features include interactive exploration, multi-user collaboration, and flexible data import capabilities, supporting various formats such as meshes, volumes, and terrain maps. The software utilizes Godot, OpenXR and PC-VR technology to provide an immersive experience. Ascribe XR is used for data analysis, visualization, and collaboration in various fields, enabling users to gain deeper insights into complex data sets. Its advantages over similar technologies include its flexibility, customizability, and ease of use. Ascribe XR's interactive and immersive environment facilitates collaboration and accelerates the discovery process. Compared to traditional 2D visualization tools, Ascribe XR offers a more engaging and intuitive experience, allowing users to explore complex data sets in a more natural and interactive way. Its ability to support multi-user collaboration and flexible data import capabilities make it a versatile tool for various applications. Overall, Ascribe XR provides a unique combination of features, usability, and performance, making it an attractive solution for scientists and engineers working with 3D data sets.

Pandolfi, Ronald [Lawrence Berkeley National Labor↗

NGPINT V3: a containerized orchestration Python software for discovery of next-generation protein–protein interactions

Abstract Summary Batch yeast two-hybrid (Y2H) assays, leveraged with next-generation sequencing, have afforded successful innovations for the analysis of protein–protein interactions. NGPINT is a Conda-based software designed to process the millions of raw sequencing reads resulting from Y2H–next-generation interaction screens. Over time, increasing compatibility and dependency issues have prevented clean NGPINT installation and operation. A system-wide update was essential to continue effective use with its companion software, Y2H-SCORES. We present NGPINT V3, a containerized implementation built with both Singularity and Docker, allowing accessibility across virtually any operating system and computing environment. Availability and implementation This update includes streamlined dependencies and container images hosted on Sylabs (https://cloud.sylabs.io/library/schuyler/ngpint/ngpint) and Dockerhub (https://hub.docker.com/r/schuylerds/ngpint), facilitating easier adoption and integration into high-throughput and cloud-computing workflows. Full instructions and software can be also found in the GitHub repository https://github.com/Wiselab2/NGPINT_V3 and Zenodo https://doi.org/10.5281/zenodo.15256036.

Biochemistry & Molecular Biology↗

Considerations regarding the Use of Computer Vision Machine Learning in Safety-Related or Risk-Significant Applications in Nuclear Power Plants

With the advancements made to date in the field of artificial intelligence (AI), significant potential exists to utilize AI capabilities for nuclear power plant (NPP) applications. AI can replicate human decision making and it is usually faster and more accurate than humans. For implementations that impact critical NPP applications (e.g., safety-related or non-safety systems that potentially affect overall plant risk), a deeper safety analysis of the AI methods is necessary. AI applied to NPP operations could resemble the use of digital I&C (DI&C) because such applications involve digital computer hardware and custom-designed software that input plant data, execute complex software algorithms, and output the results to a system or licensed human operator to potentially provoke an action. For AI methods to be compliant with current safety requirements for DI&C, AI compatibility must be evaluated, and AI-related gaps may exist that prevent the prompt deployment of AI in NPPs. This effort aims to evaluate how example AI technologies align with the DI&C safety framework, and discusses how they could be analyzed, modeled, tested, and validated in a manner similar to typical DI&C technologies. Because AI is a broad field that encompasses areas such as machine learning (ML), natural language processing, and computer vision, this research focused on a subset of methods categorized as the computer vision ML (CVML) methods. This report explores two CVML use cases, gauge reading and fire watch, considered relevant to the DI&C standards, as they could play a safety-critical role. For the gauge reading use case, a CVML-enabled technology that can read gauges at oblique angles is utilized. For the fire watch use case, a CVML-enabled technology is utilized that migrates fire watch from a manual (human) approach to automated fire detection. These use cases are mainly intended to give context to the CVML system discussion. This effort assumes the worst-case scenario, with the CVML system being used to replace a safety-related or risk-significant system, thus requiring evaluation. Evaluating CVML against most of the relevant safety requirements for DI&C yielded several CVML-specific considerations due to the uniqueness of its characteristics in comparison with typical DI&C systems. For example, CVML models often employ commonly used (open-source) datasets, and it is not always possible to determine the level of overlap among open-source datasets. Therefore, the independence of the developed CVML models when demonstrating diversity is questionable, therefore creating vulnerability to common cause failure (CCF). The design verification process is also impacted since the data overlap could result in overestimation of the software validation and verification (V&V) performance results. Section 2 of this report evaluates a list of the identified CVML-specific characteristics and discusses the resulting considerations and potential solutions in the context of each referenced requirement. A summation is provided in Section 3. This report is not to be used as a guideline. It was developed to identify and consider issues in the implementation of ML technologies used to augment activities that may have a bearing on plant operation. The report draws parallels to the use of DI&C technologies, for which many standards are available to guide their use in nuclear plant operation. It considers the technologies and some of the potential implications of their use in safety-related applications but is not intended to address regulatory or licensing related issues.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Spectator Proton Detection and Reconstruction in Deep Inelastic D(E,EPS) Scattering

A Radial Time Projection Chamber (RTPC) was designed and installed in Jefferson Lab's Hall B as part of the BONuS12 (Barely Off-shell Nucleon Structure) experiment. The goal of BONuS12 is to accurately measure the structure function of the neutron by scattering 11 GeV electrons and detecting them with the CLAS12 spectrometer. Deuterium gas was used as an effective neutron target, and the new RTPC was used to detect low momentum spectator protons. Protons follow a curved path in the 5 Tesla solenoid that is part of CLAS12, ionizing the He-CO2 gas in an annular drift region surrounding the target. These ionization electrons are radially drifted outwards, amplified using cylindrical GEM (Gaseous Electron Multiplication) foils and recorded using readout pads located along the entire outer face of the cylindrical detector. The particle track reconstruction software discussed in detail in this thesis uses the signals from these pads to build tracks, which are reconstructed into the drift region using the arrival times of the signals and the positions of the pads. The proton momentum is measured from the track?s curvature and thus used to extract information about the struck neutron. This thesis introduces the theory of spectator tagging as an effective strategy for measuring neutron structure, by minimizing nuclear effects in the absence of a free neutron target. Along with discussing the many detectors that make up the CLAS12 spectrometer, the RTPC will be covered in detail, along with the tracking software designed to interpret the electronic signals to rebuild the low-momentum particle tracks, and fit them to extract the relevant kinematics. The results of the software, and preliminary analysis will be shown in the final chapter, as well as the discussion of possible improvements which could be made to the tracking software.

Payette, David↗

High-Voltage DC MULTI-terminal SIMulation (HVDC MULTISIM): Technical Program Summary

Expansion of the power grid in the USA is essential to fulfilling the rising energy demand of the country. In particular, the transmission grid, a network of electrical energy corridors that enable the flow of large amounts of energy from the point of generation to the point of consumption, needs significant expansion to cater to this growth of electrification. The current infrastructure is also dated, and any new transmission corridor should be based on a vision of building a modern infrastructure that is futureproof. High voltage DC (HVDC) transmission technology falls in this category: it is the most economical way to build large transmission lines and relies on sophisticated electronics and flexible controls, rather than just passive components like switchgear and transformers. This project is aimed at establishing the technical and economic feasibility of a network of HVDC lines that are interconnected to form a multi-terminal DC network. HVDC transmission is not a new technology and United States has a number of such lines; however, these are point to point transmissions and do not form a DC grid. Modeling and analyzing DC grids is challenging since there are no established modeling tools and the traditional ways of modeling AC grids fall short of providing the fidelity required the fast dynamics of the DC grid. This project aims to build a software-in-the-loop simulator for a multi-terminal HVDC grid, called MULTISIM and, establish new control and protection algorithms to operate such a connected DC system. NLR, a key partner, established the core framework of the MULTISIM simulator and validated its functionality. The GE Vernova team, created a full-scale model of a four-terminal HVDC network using PSCAD (Power Systems Computer Aided Design) software and established the baseline performance of the system during normal and fault operation. The project was started on 10/12024 with a kick-off meeting held on 12/11/2024 and ran through two quarters till termination. All the tasks, milestones and deliverables during this period were met. Several interim reports detailing the various tasks were submitted. The following sections provide details on the completed tasks till the project pause and termination after Q2.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Implementing a unified solver for nonlinearly constrained optimization

SQP and interior-point methods (also referred to as Lagrange-Newton methods) typically share key algorithmic components, such as strategies for computing descent directions and mechanisms that promote global convergence. Building on this insight, we introduce a unifying framework with eight building blocks that abstracts the workflows of Lagrange-Newton methods. We then present Uno, a modular C++ solver that implements our unifying framework and allows the automatic combination of a wide range of strategies with no programming effort from the user. Uno is meant to (1) organize mathematical optimization strategies into a coherent hierarchy; (2) offer a wide range of efficient and robust methods that can be compared for a given instance; (3) enable researchers to experiment with novel optimization strategies; and (4) reduce the cost of development and maintenance of multiple optimization solvers. Uno’s software design allows user to compose new customized solvers for emerging optimization areas such as robust optimization or optimization problems with complementarity constraints, while building on reliable nonlinear optimization techniques. We demonstrate that Uno is highly competitive against state-of-the-art solvers filterSQP, IPOPT, SNOPT, MINOS, LANCELOT, LOQO, and CONOPT on a subset of 429 small problems from the CUTE collection. Uno is available as open-source software under the MIT license at https://github.com/cvanaret/Uno and via its C, Julia, Python, Fortran, and AMPL interfaces.

97 MATHEMATICS AND COMPUTING↗

Efficient derivative computation for unsteady fatigue-constrained nonlinear aero-structural wind turbine blade optimization

Gradient-based optimization offers significant efficiency advantages for wind turbine blade design, but its application has often been limited by the cost and accuracy of finite-difference derivative calculations, especially when fatigue constraints are considered. In this work, we systematically compare and evaluate four differentiation techniques, namely algorithmic differentiation, implicit differentiation, sparsity exploitation, and parallelization, to determine their effectiveness in computing accurate gradients through time-domain aero-structural simulations. By integrating these techniques with unsteady nonlinear aerodynamic and structural models, we develop software designed for accurate gradient computation. We show that combining these techniques addresses memory and runtime challenges associated with long simulations required by design load cases. Specifically, the most effective combination reduces derivative computation wall time by over an order of magnitude compared to finite differencing while maintaining superior accuracy. We demonstrate this approach in a proof-of-concept aero-structural optimization of a wind turbine blade that improves the cost of energy by 12.78 %. This comparative study establishes a viable approach for fatigue-aware blade design that balances computational efficiency with modeling accuracy.

17 WIND ENERGY↗

RhizoVision Explorer: open-source software for root image analysis and measurement standardization

Abstract Roots are central to the function of natural and agricultural ecosystems by driving plant acquisition of soil resources and influencing the carbon cycle. Root characteristics like length, diameter and volume are critical to measure to understand plant and soil functions. RhizoVision Explorer is an open-source software designed to enable researchers interested in roots by providing an easy-to-use interface, fast image processing and reliable measurements. The default broken roots mode is intended for roots sampled from pots and soil cores, washed and typically scanned on a flatbed scanner, and provides measurements like length, diameter and volume. The optional whole root mode for complete root systems or root crowns provides additional measurements such as angles, root depth and convex hull. Both modes support providing measurements grouped by defined diameter ranges, the inclusion of multiple regions of interest and batch analysis. RhizoVision Explorer was successfully validated against ground truth data using a new copper wire image set. In comparison, the current reference software, the commercial WinRhizo™, drastically underestimated volume when wires of different diameters were in the same image. Additionally, measurements were compared with WinRhizo™ and IJ_Rhizo using a simulated root image set, showing general agreement in software measurements, except for root volume. Finally, scanned root image sets acquired in different labs for the crop, herbaceous and tree species were used to compare results from RhizoVision Explorer with WinRhizo™. The two software showed general agreement, except that WinRhizo™ substantially underestimated root volume relative to RhizoVision Explorer. In the current context of rapidly growing interest in root science, RhizoVision Explorer intends to become a reference software, improve the overall accuracy and replicability of root trait measurements and provide a foundation for collaborative improvement and reliable access to all.

59 BASIC BIOLOGICAL SCIENCES↗

Machine Learning Software for Cylindrical Battery Design and Performance Prediction

A software that delivers optimal design parameters and performance predictions for cylindrical cells, which can range in size from micro batteries to EV batteries, is developed. The Cylindrical battery design V1.0 is comprised of three types of cylindrical batteries, Micro battery (Primary), Micro battery (Secondary) and 18650/21700/xxxxx cylindrical battery. The software was developed in MATLAB. The software has the capability to output the cell design with the capacity ranges from several mAh to several million Ah. The software utilizes machine learning and includes a graphical user interface to enable rapid prototyping to accelerate energy storage research, development, and manufacturing.

25 ENERGY STORAGE↗

ADAM: A web platform for graph-based modeling and optimization of supply chains

Modeling and optimization are essential tasks that arise in the analysis and design of supply chains (SCs). SC models are essential for understanding emergent behavior such as transactions between participants, inherent value of products exchanged, as well as impact of externalities (e.g., policy and climate) and of constraints. Unfortunately, most users of SC models have limited expertise in mathematical optimization, and this hinders the adoption of advanced decision-making tools. Here, in this work, we present ADAM, a web platform that enables the modeling and optimization of SCs. ADAM facilitates modeling by leveraging intuitive and compact graph-based abstractions that allow the user to express dependencies between locations, products, and participants. ADAM model objects serve as repositories of experimental, technology, and socio-economic data; moreover, the graph abstractions facilitate the organization and exchange of models and provides a natural framework for education and outreach. Here, we discuss the graph abstractions and software design principles behind ADAM, its key functional features and workflows, and application examples.

97 MATHEMATICS AND COMPUTING↗

HOPP - Hybrid Optimization and Performance Platform

The Hybrid Optimization and Performance Platform, HOPP, is a wind + solar + battery + X design software for optimizing co-located, utility-scale hybrid plants down to the component level for different markets and technoeconomic objectives. Key technology and financial inputs to the HOPP model that inform the objective to be optimized are presented. The layout and performance integration is combined with optimal dispatch and full financial modeling within an optimization framework. With an example scenario, optimal sizing and layout results are shown in a sensitivity analysis of prices for two hybrid configurations.

batteries↗

Cylindrical battery design app

Software that delivers optimal design parameters and performance predictions for cylindrical cells, which can range in size from microbatteries to EV batteries, is developed. The software utilizes machine learning and includes a graphical user interface to enable rapid prototyping and to accelerate energy storage research, development, and manufacturing. The Cylindrical battery design V1.0 comprises of three types of cylindrical batteries, Microbattery (Primary), Microbattery (Secondary) and 18650/21700/xxxxx Cylindrical battery. The software was developed in MATLAB. The software has the capability to output the cell design with the capacity ranges from several mAh to several million Ah.

Xiao, Jie↗

High-Density Polyethylene Custom Focusing Lenses for High-Resolution Transient Terahertz Biomedical Imaging Sensors

Transient terahertz time-domain spectroscopy (THz-TDS) imaging has emerged as a novel non-ionizing and noninvasive biomedical imaging modality, designed for the detection and characterization of a variety of tissue malignancies due to their high signal-to-noise ratio and submillimeter resolution. We report our design of a pair of aspheric focusing lenses using a commercially available lens-design software that resulted in about 200 × 200-μm2 focal spot size corresponding to the 1-THz frequency. The lenses are made of high-density polyethylene (HDPE) obtained using a lathe fabrication and are integrated into a THz-TDS system that includes low-temperature GaAs photoconductive antennae as both a THz emitter and detector. The system is used to generate high-resolution, two-dimensional (2D) images of formalin-fixed, paraffin-embedded murine pancreas tissue blocks. The performance of these focusing lenses is compared to the older system based on a pair of short-focal-length, hemispherical polytetrafluoroethylene (TeflonTM) lenses and is characterized using THz-domain measurements, resulting in 2D maps of the tissue refractive index and absorption coefficient as imaging markers. For a quantitative evaluation of the lens effect on the image resolution, we formulated a lateral resolution parameter, R2080, defined as the distance required for a 20–80% transition of the imaging marker from the bare paraffin region to the tissue region in the same image frame. The R2080 parameter clearly demonstrates the advantage of the HDPE lenses over TeflonTM lenses. The lens-design approach presented here can be successfully implemented in other THz-TDS setups with known THz emitter and detector specifications.

47 OTHER INSTRUMENTATION↗

Coupled Monte Carlo and thermal-fluid modeling of high temperature gas reactors using Cardinal

Cardinal is an open-source application that couples OpenMC Monte Carlo transport and NekRS computa-tional fluid dynamics to the Multiphysics Object-Oriented Simulation Environment (MOOSE), closing neutronics and thermal-fluid gaps in conducting high-resolution multiscale and multiphysics analyses of nuclear systems. Here, we provide an introduction to Cardinal's software design, data mapping, and multi -physics coupling strategy to highlight our approach to overcoming common challenges in multiphysics simulation. We then describe an application of Cardinal to prismatic High Temperature Gas Reactors (HTGRs) with various combinations of NekRS, OpenMC, BISON, and THM. A high-resolution coupling of NekRS, OpenMC, and BISON provides a reference solution at the unit cell level and shows excellent agree-ment with a lower-resolution coupling of THM, OpenMC, and BISON. A full core coupling of THM, OpenMC, and BISON resolving the three-dimensional conjugate heat transfer and sub-pin power distri-bution then provides detailed predictions of HTGR temperatures and the fission distribution.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

A Full-Induction Magnetohydrodynamics Solver for Liquid Metal Fusion Blankets in Vertex-CFD

Multiphysics modeling of liquid metal fusion blankets, which produce tritium and convert energy of neutrons created via fusion reactions into heat, is crucial for predicting performance, ensuring structural integrity, and optimizing energy production. While traditional blanket modeling of liquid metal flows during normal steady operating conditions commonly employs the inductionless approximation of the magnetohydrodynamics (MHD) equations, transient scenarios, when the plasma-confining magnetic field varies on millisecond time scales, require a full-induction MHD approach that dynamically evolves the magnetic field via the time-dependent induction equation. This paper presents the formulation, implementation, and initial verification of a full-induction MHD solver integrated within the open-source Vertex-CFD framework, which aims to achieve tight multiphysics coupling, a flexible software design enabling easy extension and addition of physics models, and performance portability across computing platforms. The solver utilizes finite element spatial discretization, implicit Runge–Kutta time integration, and an inexact Newton method to solve the resulting discrete nonlinear system, leveraging Trilinos packages for efficient computation. Verification against selected benchmark problems demonstrates accuracy and robustness of the solver. Furthermore, when the solver is applied to an idealized blanket model in 2.5D and full 3D, results obtained with Vertex-CFD are in good agreement with recently published quasi-2D simulations. These findings establish a computational foundation for future simulations of transient MHD phenomena in liquid metal blankets with Vertex-CFD, and open avenues for future extensions and performance optimizations.

Endeve, Eirik [ORNL] (ORCID:0000000312519507)↗