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At least 145 records · Page 8

Simulation of Creep Deformation and Failure in Graded AM Microstructures

This report describes modeling tools and techniques developed to simulate the long-term material performance of 316H stainless steel manufactured using Laser Powder Bed Fusion (LPBF). A physics-based Crystal Plasticity Finite Element model is used to simulate creep in microstructures and to study the roles of grain morphology, porosity, and texture. We describe our modeling methodology, including an orientation-mapping technique to capture the spatially varying crystallographic orientation that results from the build conditions. Our study of microstructural features shows that AM microstructures produced by LPBF tend to creep faster in the build direction, while texture and grain boundaries strengthen the transverse directions. However, when grain-boundary porosity and the consequent cavity growth are included in the model, the transverse directions begin to creep faster. In examining texture, the results indicate that spatially varying orientation arising from the build conditions increases anisotropy in the material, making it critical to account for orientation gradients in the material to accurately model its mechanical behavior. We also describe a material-model calibration campaign in which we calibrated the constitutive model specifically for LPBF 316H stainless steel at 725℃ for both solution-annealed and as-built conditions. Finally, these tools and techniques are used to model creep in microstructures representing different regions of an LPBF material with graded microstructure, owing to intentional variation in processing conditions. The creep simulation results show good agreement with experimental data across all three microstructures, with future work planned to study rupture in the material.

36 MATERIALS SCIENCE↗

The Analysis Description Language Ecosystem: Latest developments and physics applications

We present latest developments in Analysis Description Language (ADL), a declarative domain-specific language describing the physics algorithm of a HEP data analysis decoupled from software frameworks. Analyses written in ADL can be integrated into any framework for various tasks. ADL is a multipurpose construct with uses ranging from analysis design to preservation, reinterpretation, queries, visualisation, combination, etc. The most advanced infrastructure to execute ADL on events is the CutLang runtime interpreter. Recent technical developments include an automated interface with different data types, generation of the abstract syntax tree, a visualization tool that that auto-converts analysis flows to graphs, incorporation of trained machine learning models and a Jupyter-based plotting tool. We also report physics implications including a large scale LHC analysis implementation and validation effort for beyond the standard model reinterpretation purposes and studies with ATLAS and CMS open data.

Sekmen, Sezen [Kyungpook National Univ., Daegu (Ko↗

Design Methods, Tools, and Data for Ceramic Solar Receivers Year 1 Continuation Report

This report describes the first year of work on a project to develop the methods, tools, and data required to analyze high temperature ceramic Concentrating Solar Power (CSP) components. This first year focused on developing the methods and data required for a time-independent assessment of potential components, focusing in particular on ceramic solar receivers. The report describes both model development and testing work focused on accomplishing this goal. Our overall conclusion is that high temperature ceramic CSP components are viable and could provide a means to overcome the expected low reliability and short service life for equivalent components constructed from Ni-based superalloys. Based on the results reported here, we recommend the project continue to Phase II which will develop more sophisticated, realistic models for time-dependent failure of ceramics operating in expected CSP component conditions and develop the time-dependent ceramic test data needed to parameterize these models, using commercial SiC as a reference material.

14 SOLAR ENERGY↗

pnnl/CPACE

C-PACE Market Assessment Tool This tool was developed for the U.S. Department of Energy’s Commercial Property Assessed Clean Energy (C-PACE) Working Group to support state and local governments creating, joining, and implementing C-PACE programs. This tool allows users to input a jurisdiction (city, county, or state) and automate a report with building characteristics, energy use, and energy efficiency savings opportunities for commercial buildings in that jurisdiction. The report generated by the tool identifies jurisdiction-specific energy end uses, building use types, and building technologies that a local C-PACE program should consider focusing on to more effectively allocate limited resources and maximize energy savings and investment.

Keene, Kevin↗

Heracles: Predictive Tools for Opioid Crisis Intervention - m/q Initiative Project Report

The opioid crisis in the United States is being fueled primarily by fentanyl and its molecular analogs, which can be anywhere from 50 to 1,000 times more potent than morphine. Fentanyl itself is straightforward to synthesize; furthermore, the structure is such that fentanyl’s flexible, rotatable side chains are easy to modify to create new analogs. Reference-free computational techniques to predict and identify new fentanyls have the potential to provide a desperately needed preemptive advantage to regulatory stakeholders and toxicologists. The computational pipeline Heracles was developed with this preemptive advantage in mind. Heracles has two primary components: 1) the creation of an in silico library of putative fentanyl analogs, and 2) a downselection pipeline to prioritize generated fentanyl analogs predicted to be potent and easy to synthesize. Experimental observables were also predicted for prioritized analogs, with validation of the observables begun. Heracles has demonstrated potential to aid in the advancement of reference-free paradigms while providing new tools to first responders and other stakeholders attempting to mitigate the opioid crisis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

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]↗

High-fidelity multiphysics load following and accidental transient modeling of microreactors using NEAMS tools: Application of NEAMS codes to perform multiphysics modeling analyses of micro-reactor concepts

The feasibility of modeling microreactors using high-fidelity models with the Nuclear Energy Advanced Modeling and Simulation (NEAMS) tools is investigated in this report. Three overarching questions guided this research: can NEAMS tools readily be applied for high-fidelity multiphysics modeling of different types of transients in microreactor designs; how accurate are the results obtained; and are improvements needed in accuracy or user experience of NEAMS tools, especially considering newly developed capabilities? This work builds upon FY-2022 work, and two microreactor concepts considering heat pipe (HP-MR) and gas-cooled (GC-MR) technologies were further analyzed using high-fidelity multiphysics simulations. The NEAMS tools considered and coupled within the MultiApp environment are Griffin for neutronics, BISON for thermo-mechanics, Sockeye for heat pipe modeling (in HP-MR), SAM for 1D Fluid – 3D solid modeling of coolant channels and system modeling of balance of plant components (in GC-MR), and the SWIFT code for hydrogen redistribution in hydride moderator. The Heat Pipe MicroReactor (HP-MR) concept was further analyzed in FY-2023 to demonstrate the stochastic TRISO failure modeling capability in BISON to check operational limits of the TRISO fuel. A new full-core Gas-Cooled MicroReactor (GC-MR) model was developed based on the initial assembly-model used in Y-2022 and used for steady-state and accidental depressurization transient simulations. Accuracy of the simulations performed was assessed through 1) verification analyses completed on the different physics with code-to-code comparison, and 2) validation of the multiphysics simulations based on modeling of the Kilopower Reactor Using Stirling Technology (KRUSTY) experiment. In FY-2023, the mesh and model of KRUSTY was updated to closely match publicly available data, and the neutronic model was verified and validated against experimental control rod worth measurements. The multiphysics model of KRUSTY was developed and used for steady-state analysis and for modeling reactivity insertion transient. The calculated power increase and stabilization agrees well with experimental data following adjustment in fuel thermal expansion coefficient. As an important component of this project, the ANL team gathered experience with a wide range of NEAMS tools: the MOOSE Mesh System, Griffin, BISON, SWIFT, Sockeye, SAM, Workbench, and the MOOSE MultiApp System, and provided assessment of new capabilities. Noteworthy are the user assessment of the “vapor-only” flow model in Sockeye and development of a multiphysics startup transient in HP-MR unit cell for use as tutorial in Sockeye. The full-core GC-MR model was used for assessment of SAM for balance of plant modeling and for demonstrating the SWIFT code capability for hydrogen redistribution modeling in multiphysics transient analyses. In this process, several bugs/issues were identified and reported to developers. Finally, the assembly GC-MR model developed in FY-2022 coupling Griffin, BISON and SAM through flow blockage and rod ejection transients was published to the National Reactor Innovation Center (NRIC) Virtual Test Bed (VTB). The Heat Pipe MicroReactor (HP-MR) concept high-fidelity multiphysics coupling of Griffin/BISON/Sockeye in load-following and heat pipe failure transients was also published on the VTB. Those submissions are enabling thorough review of these models as well as wide distribution to industry, regulator, and university users. In this analysis, several new research questions were uncovered, and follow-up analyses are recommended to further improve some models, consider additional transients, and continue development of VTB models.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Tools for Assessing Performance Project: FY2021 Quarter 4 Report

The rotatable building located at Texas Tech’s Reese Technology Center is approximately 14 m wide (width being defined as more normal to the wind than parallel), 9 m long (aligned more with the wind than perpendicular), and 4 m tall. By placing 29 sonic anemometers downwind of the building, see Fig. 1, this facility provided a chance to collect data concerning both the wake velocity deficit distribution in the downstream and crosssteam directions (relative to the mean wind) behind an isolated building. A preliminary comparison between this data and the recently- developed fast-running diffusive wake model, which was developed based on wind tunnel and LES (performed with JOULES) simulations, for the purpose of either validating this model of understanding potential persistent differences between the idealized wind tunnel or LES conditions and those of full-scale real world phenomena. For this preliminary exploration, we utilized the diffusive wake model implemented in the QUIC model.

42 ENGINEERING↗

LLGOMAX: Enhancing Industry-Standard Tools for AC Optimal Unit Commitment (CRADA Final Report)

This was a collaborative effort between Lawrence Livermore National Security, LLC ("LLNS"), as manager and operator of Lawrence Livermore National Laboratory ("LLNL") and ECCO International Inc. ("Participant"). The team designed and implemented a new approach for the Security-Constrained Alternating-Current Unit Commitment (SCACUC) problem. The SCACUC problem is a mathematical optimization problem that decides which generating units should be online and how much power should be produced (and consumed) at each point of the power grid. The decisions are made so as to minimize the total cost of supplying electricity while respecting technical constraints of the power grid, both under normal and emergency conditions. The team developed a solution for SCACUC as specified in the ARPA-E Grid Optimization Competition (GOC) Challenge 3, which put forth a forward-looking version of the problem, which many features not present in today’s electricity market specifications for SCACUC.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Methods for Assessing Opportunities for Ring Dam Pumped Storage Hydropower

There is growing interest in new pumped storage hydropower (PSH) deployment to provide a range of grid flexibility, reliability, and resiliency services under an evolving and uncertain future power sector. The National Laboratory of the Rockies develops open PSH resource assessment and cost modeling tools to help evaluate PSH deployment opportunities, and this report describes expansions to those tools to consider an additional PSH system configuration - ring-dam reservoirs built on flat topographical features that are constructed from roller-compacted concrete material. This reservoir type is common among current PSH proposals and requires new methods to identify sites with this reservoir geometry throughout the United States and characterize the associated dam cost. Cost characterization for ring dam reservoirs required collecting historical dam cost data for earthen, rockfill, and roller-compacted concrete dams and regressing equations that relate costs between alternative materials. The ring dam site identification algorithm follows a 5-step procedure to identify circular geometry reservoirs. Once ring dam reservoirs are identified, they are then paired with potential dry-gully reservoirs, and the full set of potential paired reservoirs is cost-optimized to produce a least-cost set of potential PSH sites with no overlapping reservoirs. The resulting analysis found 1,663 ring-dam to dry-gully systems in the contiguous United States that are lower cost than any overlapping dry-gully to dry-gully systems, 29 in Alaska, and none in Hawaii or Puerto Rico. These systems constitute 1.5 TW of capacity in the contiguous United States and nearly 29 GW in Alaska, demonstrating that under suitable topography and head, ring-dam systems can provide cost-effective PSH opportunities. The greatest density of these opportunities are found in the intermountain west where there are mesas and flat land at bases of mountain ranges, but continued work could incorporate additional site characteristics or consider more complex reservoir shapes to find additional PSH deployment opportunities.

13 HYDRO ENERGY↗

Consequence-driven cyber-informed engineering and related systems and methods

Embodiments of the disclosure relate to a computer-implemented consequence-driven cyber-informed engineering tool for performing and reporting consequence-based prioritization, system-of-systems breakdown, consequence-based targeting, and mitigations and protections. Embodiments of a CCE tool may perform one or more steps of defining a target industrial control system (ICS), wherein the target ICS includes operational goals, critical functions, and critical services; determining one or more scored high consequence events (HCE) associated with the defined target ICS; prioritizing the scored HCEs according to an HCE severity index; and updating a dashboard with one or more representations of the prioritized HCEs, wherein the updated dashboard is associated with the CCE tool and presented at a display.

Assante, Michael↗

Survey Report on Commercial Off-The-Shelf (COTS) Tracking Tools

Radioactive/nuclear (R/N) materials are integral parts of many business sectors such as medicine, industry, and research. In the United States alone, approximately 3 million packages containing R/N materials are shipped annually via highways, rail, air, and water. These materials are utilized in medical diagnostics and treatments, industrial radiography, and scientific research. The secure and efficient transportation of R/N materials is paramount to public safety and national security. Recent incidents involving the loss of R/N materials during transportation highlight significant security and safety concerns. For instance, in December 2024, a package containing four encapsulated Selenium-75 sources was reported lost in transit from the Czech Republic to Madrid, raising alarms about the security of such shipments. Similarly, a Germanium-68 pin source was reported lost in transit in New Jersey in December 2024, underscoring the risks associated with transporting radioactive materials.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

The Hydropower Game: An Interactive Learning Tool for the Future Hydropower Workforce

This report documents a Seedling project supported by the U.S. Department of Energy (DOE) Water Power Technologies Office (WPTO), conducted by Argonne National Laboratory (ANL) and the National Laboratory of the Rockies (NLR). The Seedling and Sapling Program provides small grants over short duration to enable early-stage research at national laboratories. This funding mechanism is intended to cultivate innovative ideas and expand research road maps in hydropower and marine energy technologies. Under this Seedling award, the project team developed an educational outreach tool, or “serious game”, built in Python and powered by the Pygame library, aimed at teaching fundamental hydropower concepts through an engaging, interactive learning experience. The game features multiple lessons covering several hydropower topics while allowing for expansion and customization in the instance of future funding availability: • Hydropower Plant Types: Players explore and compare the mechanics and applications of run-of-river, dam hydropower, and pumped-storage hydropower. • Flow Dynamics and Power Generation: Interactive tasks demonstrate how release rate and hydraulic head combine to determine power output. • Grid Operations and Load Following: Simulations illustrate how hydropower facilities respond to fluctuating electricity demand to balance the grid. • Market Integration: Levels scaffold understanding of how hydropower interfaces with the broader energy market, including operational and economic considerations. The tool was showcased at several science, technology, engineering, and mathematics (STEM) outreach events, where it was demoed to students, educators, and the general public. These events provided valuable opportunities to collect feedback on the gameplay, storyline, and educational objectives from a wide audience. The game was presented at STEMapalooza, Introduce a Girl to Engineering Day, STEMCON, and Clean Currents 2025. Insights gathered during these demonstrations informed refinements to the game’s user experience and strengthened its effectiveness as an educational tool for teaching hydropower concepts. This report outlines the game’s design philosophy, educational objectives, technical implementation, user experience insights, and potential for broader deployment within educational and workforce development contexts. It emphasizes how gamified learning can demystify complex hydropower science and inspire interest in water-power technologies. The project’s success demonstrates the value of Seedling funding in fostering creative, lowcost educational tools that support DOE’s mission to advance energy literacy and innovation. The report concludes with recommendations for expanding the tool by adding new levels, integrating assessment metrics, and exploring commercialization or deployment pathways through future Sapling funding. The official webpage of the Hydropower Game, which includes a link to the educational tool, can be accessed at www.anl.gov/hydropower/hydropower-game.

13 HYDRO ENERGY↗