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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

Procurement Analysis Tool (PAT) Informational Webinar

This is a slide deck for the public PAT Informational Webinar scheduled for July 22, 2025. This the first webinar for PAT after the new tool was launched on nrel.gov on June 16, 2025.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

TOMCAT5G: A Configuration and Trust Analysis Tool for over-the-air Feature and Core Classification in 5G

Because surveillance and tracking are common in next generation wireless protocols, a user may want to have extra information about a cellular network before connecting to it. The thrust of this research answers the question: how much information can a user device get about a 5G cellular core network as a function of the amount of information the user device provides to the network?

42 ENGINEERING↗

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)↗

Search for pair-produced vectorlike quarks coupling to light quarks in the lepton plus jets final state using 13 TeV p p collisions with the ATLAS detector

A search is presented for the pair production of heavy vectorlike quarks (VLQs) that each decay into a W boson and a light quark. This study focuses on events where one W boson decays into leptons and the other into hadrons. The search analyzed 140 fb -1 of pp collision data with $\sqrt{s}$ = 13 TeV, recorded by the ATLAS detector from 2015 to 2018 during run 2 of the Large Hadron Collider. The final state is characterized by a high-transverse-momentum isolated electron or muon, large missing transverse momentum, multiple small-radius jets, and a single large-radius jet identified as originating from the hadronic decay of a boosted W boson. With higher center-of-mass energy and integrated luminosity than in the run 1 search, and improved analysis tools, this analysis excludes VLQs (Q) with masses below 1530 GeV at 95% confidence level for the branching ratio $\mathscr{B}$⁡(Q →W⁢q) =1, an improvement of 840 GeV on the previous ATLAS limit.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Deciphering Discrepancies: A Comparative Analysis of Docker Image Security

As the use of microservices continues to grow and become a foundational approach to architecting software solutions, ensuring the security of microservices is paramount. Docker images have emerged as the predominant solution to containerize microservices–and thus, Docker images are becoming a large attack surface. Thus, reducing vulnerabilities in Docker images will reduce microservice cyberattacks. A common way to find vulnerabilities in Docker images employs static analysis tools like Trivy and Grype. However, these tools frequently generate disparate vulnerability reports when analyzing the same Docker image, thus causing uncertainty in tool selection. We collected 927 Docker images, analyzed them with Trivy and Grype, and compared the vulnerabilities reported in each image. Among the 865 images found to have vulnerabilities, Trivy and Grype disagreed on both the number of vulnerabilities and the vulnerability IDs found therein. Since both tools interface with external vulnerability databases, some discrepancies can be attributed to how the tools interface with these external resources. The external vulnerability databases partially overlap and frequently contradict one another, thereby creating challenges for static analysis tool developers and end users alike. This New Ideas and Emerging Results (NIER) study contains new and critical information that practitioners need for selecting and using static analysis tools–given that increases in the use of Docker technologies means increases in the size of the attack surfaces.

Boles, Brittany [Montana State University]↗

Deep Learning-Based Dynamic Modeling of Three-Phase Voltage Source Inverters

Inverter-based resource (IBR) models are necessary to analyze modern power system stability and create effective control strategies. Modeling IBRs in converter-rich power systems is crucial, yet challenging due to the lack of commercial information on converter topologies and control parameters. This paper proposes novel convolutional neural network (CNN)–based data-driven techniques for modeling IBRs, addressing adaptability and proprietary concerns without requiring internal system physics knowledge. The proposed method is tested using real grid-tied commercial IBR transient data and demonstrates effectiveness and accuracy. Furthermore, the developed modeling approach is integrated and implemented in the open-source power distribution simulation and analysis tool, GridLAB-D, to illustrate the potentiality of dynamic analysis of large-scale power systems with high IBRs.

deep learning, artificial intelligence↗

ROSE

Developed at Lawrence Livermore National Laboratory (LLNL), ROSE is an open source compiler infrastructure to build source-to-source program transformation and analysis tools for large-scale C (C89 to C23), C++ (C++98 to C++23), UPC, Fortran (Fortran4, 66, 77, 95, 2003), OpenMP, Java, Python, and Binary applications. ROSE users range from experienced compiler researchers to library and tool developers who may have minimal compiler experience. ROSE is particularly well suited for building custom tools for static analysis, program optimization, arbitrary program transformation, domain-specific optimizations, complex loop optimizations, performance analysis, and cyber-security. ROSE is: A library (and set of associated tools) to quickly and easily apply compiler techniques to one's code in order to improve application performance and developer productivity. A research and development compiler infrastructure for for writing custom source-to-source translators to perform source code transformations, analysis, and optimizations. Is

Pinnow, NathanT [Lawrence Livermore National Labor↗

xCDAT: A Python Package for Simple and Robust Analysis of Climate Data

xCDAT (Xarray Climate Data Analysis Tools) is an open-source Python package that extends Xarray (Hoyer & Hamman, 2017) for climate data analysis on structured grids. xCDAT streamlines analysis of climate data by exposing common climate analysis operations through a set of straightforward APIs. Some of xCDAT’s key features include spatial averaging, temporal averaging, and regridding. These features are inspired by the Community Data Analysis Tools (CDAT) library (Dean N. Williams et al., 2009) (D. N. Williams, 2014) (Doutriaux et al., 2019) and leverage powerful packages in the Xarray ecosystem including xESMF (Zhuang et al., 2023), xgcm (Abernathey et al., 2022), and CF xarray (Cherian et al., 2023). To ensure general compatibility across various climate models, xCDAT operates on datasets that are compliant with the Climate and Forecast (CF) metadata conventions (Hassell et al., 2017).

54 ENVIRONMENTAL SCIENCES↗

TRUST Contact Thermal Conductance (TRUST-CTC) Report: FY24

The objective of the Delivery Environments (DE) Testbeds to Reduce Uncertainties in Simulations and Tests (TRUST) project is to quantify and help increase confidence in specific areas of computational and experimental capabilities that are applicable to current and future delivery environments. More complete quantification of confidence in experimental and computational capabilities and the sufficient increase of confidence in those capabilities is critical to improving weapons engineering design, qualification, and assessment efforts that are critical to the current and future stockpile. Staff development will include cross-discipline collaboration to provide engineers with experience in both numerical simulations and experimental methods. This work uses and provides feedback on analysis tools and experimental results databases for efficient and responsive engineering which are currently under development. TRUST currently includes five testbeds and their associated engineering analysis baseline models (EABMs): 1. contact thermal conductivity, (CTC) 2. nonlinear dynamics, (ND) 3. sensors in environments for accelerometers, (SEA) 4. sensors in environments for fiber optic displacement gages, and (SEFOD) 5. sensors in environments for thermocouples (SETC). The TRUST project uses single-feature testbeds to quantify uncertainties in specific models and experiments and to identify capability development needs that can help to reduce these uncertainties. Each testbed is designed, configured, and tested in collaboration with groups with design and experimental capability: E-14 and MPA-CINT. The complementary simulations are conducted using W-13 analysis tools and stored in model repositories with plans for incremental progress toward EABM requirements. W-13 extends and exercises the testbed simulations in collaboration with experimentalists for uncertainty quantification of current and future materials, geometries, and environments. Additionally, TRUST is intended to provide engineers in W-13 and E-14 with experience in both numerical simulations and experimental methods through cross-discipline collaborations. Following the introduction to the TRUST project, the remainder of this report focuses on experimental and analytical efforts conducted in Fiscal Year (FY) 2024 relevant to the TRUST Contact Thermal Conductance (CTC) testbed.

42 ENGINEERING↗

TRUST Sensors in Environments: Fiber Optic Displacement (SE-FOD) Report, Release FY24

The objective of the Delivery Environments (DE) Testbeds to Reduce Uncertainty in Simulations and Tests (TRUST) project is to quantify and help increase confidence in specific areas of computational and experimental capabilities that are applicable to the development, on-target assessment, and qualification of current and future delivery environments. More complete quantification of confidence in experimental and computational capabilities and the sufficient increase of confidence in those capabilities is critical to improving weapons engineering design, qualification, and assessment efforts that are critical to the current and future stockpile. This work uses and provides feedback on analysis tools and experimental results databases for efficient and responsive engineering which are currently under development. Under the TRUST work package, there are five testbeds and their associated engineering analysis baseline models (EABMs): 1. Contact Thermal Conductivity (CTC), 2. Nonlinear Dynamics (ND), 3. Sensors in Environments: Accelerometers (SE-A), 4. Sensors in Environments: Fiber Optic Displacement Gauges (SE-FOD), and 5. Sensors in Environments: Thermocouples (SE-TC). The TRUST project uses single-feature testbeds to quantify uncertainties in specific models and experiments and to identify capability development needs that can help to reduce these uncertainties. Each testbed is designed, configured, and tested in collaboration with groups with design and experimental capability: E-14 and MPA-CINT. The complementary simulations are conducted using W-13 analysis tools and stored in model repositories with plans for incremental progress toward EABM requirements. W-13 extends and exercises the testbed simulations in collaboration with experimentalists for uncertainty quantification of current and future materials, geometries, and environments. Additionally, TRUST is intended to provide engineers in W-13 and E-14 with experience in both numerical simulations and experimental methods through cross-discipline collaborations. Following the introduction to the TRUST project, the remainder of this report focuses on experimental, modeling and simulation, and analysis efforts conducted in FY24 relevant to the TRUST Sensors in Environments: Fiber Optic Displacement (SE-FOD) testbed.

42 ENGINEERING↗

LSAFE: a Lightweight Static Analysis Framework for binary Executables

Static analysis is a widely used technique for analyzing various aspects of programs. However, as programs become more complex, static analysis tools require larger resources, such as CPU time and memory, to perform the same tasks. Moreover, the source code of programs may not always be accessible, requiring static analysis to be performed on the binary executable code directly. To overcome these challenges, we propose a lightweight static analysis framework called LSAFE, which constructs control flow graphs (CFGs) and data dependency graphs (DDGs) of target programs with optimized performance in terms of CPU and memory usage. We evaluated the proposed framework using both Spec benchmark programs and real-world industrial applications, and found that it outperformed Angr, an existing state-of-the-art static analysis tool. Additionally, we demonstrate a case study that utilizes the CFG generated by LSAFE to detect memory leaks.

Qu, Guangzhi↗

Final Technical Report on Investigation of Short-range Ordering in Transition Metal Compounds by Diffuse Scattering

Future energy needs and sustainability require new materials with novel properties for such applications as energy production, storage and transport and microelectronics. Quantum materials with several competing interactions at the electronic level offer tremendous opportunity to discover, design and tune properties for such applications. Although it has been recognized that small deviations in atomic positions, driven by the competing electronic interactions, in crystalline materials can have significant impact on properties, it remains a challenge to accurately characterize such deviations (short-range order) due to the lack of advanced instruments and analysis tools to characterize them. This project used the powerful neutron and x-ray scattering instruments recently developed at the DOE user facilities to address this challenge. New methods and efficient analysis tools were employed to uncover the hidden ordering that is behind the unique properties of transition metal compounds. One example of hidden order revealed by this project comes from vanadium (IV) oxide (VO 2 ) and related compounds. The project found that the chemical bonds in VO 2 compete against each other, unlike most crystalline compounds where the chemical bonds cooperate to yield the ordered structure. This helps explain why different measurements yielded different, competing pictures about the nature of VO 2 , which has led to disagreement about where its physical properties come from. Another example from this project of hidden ordering comes from a class of compounds known as condensed Chevrel phases, which are superconducting compounds that are generally believed to be non-magnetic. The neutron scattering methods used in this project revealed evidence of magnetism, which usually does not coexist with superconductivity. In this case, magnetism is believed to be one part of a special type of electronic behavior that can occur in compounds that have one-dimensional bonding character.

36 MATERIALS SCIENCE↗

Nuclear Materials Packaging, Transportation, and Systems Analysis Group Software Quality Assurance Plan: ANSYS Mechanical Finite Element Analysis Software Version 2023R1

ANSYS Inc. develops and markets engineering simulation software and services used in the aerospace, automotive, manufacturing, electronics, biomedical, energy, defense, and many other industries. ANSYS is dedicated to engineering simulation and is the world’s leading software provider. ANSYS was founded in 1970 and is headquartered in Canonsburg, Pennsylvania. ANSYS provides an engineering analysis tool combining structural, thermal, computational fluid dynamics, acoustic, and electromagnetic simulation capabilities. ANSYS has two main programs, which use the same solvers: (1) Mechanical APDL (ANSYS Design Parametric Language), a Fortran-based coding platform, and (2) ANSYS Workbench, which uses a graphical user interface to aid in finite element analysis implementation. This plan covers both APDL and Workbench. The ANSYS computer program is a large-scale, multipurpose finite element program that can be used to solve several classes of engineering analyses. The analysis capabilities of ANSYS include the ability to solve static and dynamic structural analyses, steady-state and transient heat transfer problems, mode-frequency and buckling eigenvalue problems, static or time-varying magnetic analyses, and various types of field and coupled-field applications. The program contains many special features that allow nonlinearities or secondary effects such as plasticity, large strain, hyperelasticity, creep, swelling, large deflections, contact, stress stiffening, temperature dependency, material anisotropy, and radiation to be included in the solution. As ANSYS has been developed, other special capabilities such as substructuring, submodeling, random vibration, kinetostatics, kinetodynamics, free convection fluid analysis, acoustics, magnetics, piezoelectrics, coupled-field analysis, and design optimization have been added to the program. These capabilities contribute further to making ANSYS a multipurpose analysis tool for varied engineering disciplines. The ANSYS program has been in commercial use for over 50 years and has been used extensively in the aerospace, automotive, construction, electronic, energy services, manufacturing, nuclear, plastics, oil, and steel industries. Additionally, many consulting firms and hundreds of universities have used ANSYS for analysis, research, and educational purposes. ANSYS is recognized worldwide as one of the most widely used and capable programs of its type. Ansys design analysis software is the first created within a quality system with ISO 9001 certification, the internationally accepted quality standard. Product development, testing, maintenance and support processes also meet the United States Nuclear Regulatory Commission's quality requirements, as they have for nearly four decades. The Quality Assurance Service Agreement is suitable for the customers working in the nuclear industry who need to meet specific federal regulations including 10CRF50 Appendix B and provisions of 10CFR21. ANSYS has retained its original International Organization for Standardization (ISO) 9001 accreditation certificate since1995-05-04, It’s current certificate is valid until 2027-05-29.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Automated Gold Nanorod Spectral Morphology Analysis Pipeline

The development of a colloidal synthesis procedure to produce nanomaterials with high shape and size purity is often a time-consuming, iterative process. This is often due to quantitative uncertainties in the required reaction conditions and the time, resources, and expertise intensive characterization methods required for quantitative determination of nanomaterial size and shape. Absorption spectroscopy is often the easiest method for colloidal nanomaterial characterization. However, due to the lack of a reliable method to extract nanoparticle shapes from absorption spectroscopy, it is generally treated as a more qualitative measure for metal nanoparticles. This work demonstrates a gold nanorod (AuNR) spectral morphology analysis tool, called AuNR-SMA, which is a fast and accurate method to extract quantitative structural information from colloidal AuNR absorption spectra. To demonstrate the practical utility of this model, we apply it to three distinct applications. First, we demonstrate this model's utility as an automated analysis tool in a high-throughput AuNR synthesis procedure by generating quantitative size information from optical spectra. Second, we use the predictions generated by this model to train a machine learning model to predict the resulting AuNR size distributions under specified reaction conditions. Third, we apply this model to spectra extracted from the literature where no size distributions are reported and impute unreported quantitative information on AuNR synthesis. This approach can potentially be extended to any other nanocrystal system where absorption spectra are size dependent, and accurate numerical simulation of absorption spectra is possible. In addition, this pipeline could be integrated into automated synthesis apparatuses to provide interpretable data from simple measurements, help explore the synthesis science of nanoparticles in a rational manner, or facilitate closed-loop workflows.

36 MATERIALS SCIENCE↗

Performance analysis and data reduction for exascale scientific workflows

Chimbuko is the first in situ, scalable, workflow-level performance analysis tool for trace-level analysis and visualization of application performance. This tool was developed by the Co-design Center for Online Data Analysis and Reduction and funded by the U.S. Department of Energy’s Exascale Computing Project. We provide a detailed description of Chimbuko’s architecture and illustrate our online and offline visualization with multiple use cases. We also present results for the deployment and scalability of the tool as applied to a high-energy physics workflow running at large scale on the Frontier supercomputer.

97 MATHEMATICS AND COMPUTING↗

A Two-Dimensional Non-Linear Magnetic Equivalent Circuit Model to Facilitate the Preliminary Design of a Normal Conducting Quadrupole

Normal conducting quadrupoles have been used to focus charged particle beams in synchrotrons, beam transfer lines, medical linacs, etc. for a long time. Optimization techniques based on analytical expressions combined with the use of a numerical field analysis tool exist in the literature for the design of an optimal pole tip shape. However, the initial shape and dimensions of the remaining yoke (including the pole itself and yoke base that act as the return path) are usually less well defined. This article discusses a design methodology for a normal conducting quadrupole based on a two-dimensional magnetic equivalent circuit. Here, this approach considers the geometry of the entire magnet and the non-linear behavior of the yoke material, thereby eliminating the initial iterations. The design outcome of this exercise serves as a competent starting point and can then be used to refine the pole tip, pole taper, yoke size, and add other geometrical features to achieve the required field quality, gradient, coil considerations, etc. by employing a finite element analysis tool. An example design study to demonstrate the proposed methodology is presented.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Automated ICRF heating surrogate modeling via machine learning

This work introduces automated machine learning workflows that address critical bottlenecks in surrogate model development for Ion Cyclotron Range of Frequencies (ICRF) heating applications. The automated framework includes data analysis tools that transform raw datasets into actionable insights in seconds, replacing weeks of manual exploratory effort and ensuring consistent, reproducible dataset characterization. By integrating advanced hyperparameter optimization (HPO) methods including Bayesian optimization via BoTorch and Tree-structured Parzen Estimators (TPE), the framework significantly reduces model development time from weeks to hours, decreasing computational cost and required expertise, while enabling high-accuracy surrogate models. Compared to traditional hyperparameter scanning (HPS) techniques such as methodical, randomized, and grid searches, HPO methods achieve superior convergence and predictive performance, even when compared to already well-tuned reference models. On NSTX High Harmonic Fast Wave (HHFW) heating datasets, both Random Forest Regressor (RFR) and neural network surrogates demonstrate improved accuracy, achieving R 2 values beyond 0.97 and 0.98, respectively. The results show that while HPO gains are modest for robust architectures like RFR, they become essential for more sensitive models such as neural networks, highlighting the trade-offs across optimization strategies. Through automated workflows that eliminate manual hyperparameter tuning and require minimal ML expertise, this work enables widespread adoption of high-fidelity surrogate models across the fusion community for real-time plasma control, uncertainty quantification, rapid experimental scenario development, and integrated system optimization.

Sanchez-Villar, Alvaro [Princeton Plasma Physics L↗