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At least 181 records · Page 10

Real-Time Testbed for Studying Cyberattacks and Defense in DER-integrated Smart Inverter Systems

In this paper, we propose a Hardware-in-the-Loop (HIL) simulation testbed suitable for the implementation and testing of realistic cyberattacks on grid-tied smart inverter systems integrated with Distributed Energy Resources (DER) that use the Distributed Network Protocol-3 (DNP3) protocol for communications between grid components. Specifically, our testbed combines a Real-Time Digital Simulator (RTDS) NovaCor device, outfitted with GNETx2 network interface cards, a gridtied DER topology implemented via the RTDS software package RSCAD, and a custom virtual network that emulates a man in the middle attacker. The Man-in-the-Middle (MITM) attacker captures DNP3 traffic and falsifies telemetry data in DNP3 packets to trigger unwarranted commands from a DNP3 controller that exploit smart inverter grid support functions. We choose DNP3 and implement grid support functions according to the IEEE Std. 1547-2018 mandated for the interconnection and interoperability of DER power systems with associated power components. Furthermore, we develop a protocol payload agnostic attack detection framework that leverages the round-trip time (RTT) anomalies between DNP3 requests and responses and can detect the presence of attacks without having to analyze the payload’s contents, while balancing trade-offs between false alarm counts, missed detections, and time to detection. To facilitate further research, we publicly release benign and attack network traffic exchanged between various sensors, controllers, and actuators in our grid-tied inverter testbed.

24 POWER TRANSMISSION AND DISTRIBUTION↗

An open-access simulated earthquake ground-motion database for an M7 Hayward Fault earthquake in the San Francisco Bay Region

Comprehensive understanding of earthquake ground motions, particularly in the near-fault region of large-magnitude events, is limited by gaps in strong-motion data. This challenge is prominent in areas with high seismic hazard but infrequent large earthquakes where data is sparse and difficult to interpret. These data limitations lead to uncertainties in the development of site-specific ground motions, which are crucial for engineering risk assessments. To address these challenges, physics-based regional-scale ground-motion simulations have been developed. With the emergence of exaflop-scale computing ecosystems, it is now possible to simulate regional earthquake processes at unprecedented fidelity and generate the large number of fault rupture realizations necessary to characterize both intra- and inter-event ground-motion variability. This article introduces a new database of simulated earthquake ground motions, created for applications in earthquake engineering, earthquake planning, and emergency response. The inaugural version of the database features simulated ground motions for a magnitude 7 Hayward Fault earthquake in the San Francisco Bay Region (SFBR), using the EarthQuake SIMulation (EQSIM) simulation framework and the Graves–Pitarka kinematic rupture model. The aim is to provide high-fidelity, spatially dense, three-component motions generated on the Department of Energy’s (DOE) newest generation of graphics processing unit (GPU)-accelerated supercomputers. These motions are being made openly available to the engineering, scientific, and disaster planning communities. In addition, this work develops protocols for the efficient dissemination of these large data sets and emphasizes community engagement to build confidence in their application. This article discusses the methodology behind the data, underlying software verification and validation, scalable data management, and a user interface for data access. The goal is to facilitate widespread use and elicit expert feedback to maximize the utility and exploitation of simulated motions. While the initial focus is on the San Francisco Region, simulations for additional regions will be added as the DOE program progresses.

Simulated ground-motion database↗

OpenSAMPL: An Open Source Library for Timing and Synchronization Measurements and Analytics

Today's power grid operators are implementing timing and synchronization solutions that provide resilience to Global Navigation Satellite System (GNSS) vulnerabilities. These vendor-specific solutions often come with additional software applications that are designed to monitor that vendor's synchronization performance data. However, resilient timing architectures often resulting in multi-vendor solutions, including approaches that blend terrestrial clocks with space-based subscription services. In such an environment, collecting, analyzing, and visualizing data from a variety of sources within a single platform was heretofore not possible. To address this need, the US Department of Energy's Center for Alternative Synchronization and Timing (CAST) developed OpenSAMPL, the Open Synchronized Analytics and Monitoring Platform, an open-source Python framework for processing, loading, and observing clock measurement data from distributed devices. OpenSAMPL enables the ingestion of diverse clock-probe sources into a scalable time-series database and applies robust analytics. OpenSAMPL currently supports two vendor data pipelines, and will be extended to more in the near future, enabling seamless monitoring of a variety of timing and synchronization devices in a common environment.

Grant, Josh [ORNL] (ORCID:0000000163475060)↗

E3SM‐GCAM: A Synchronously Coupled Human Component in the E3SM Earth System Model Enables Novel Human‐Earth Feedback Research

Abstract Modeling human‐environment feedbacks is critical for assessing the effectiveness of climate change mitigation and adaptation strategies under a changing climate. The Energy Exascale Earth System Model (E3SM) now includes a human component, with the Global Change Analysis Model (GCAM) at its core, that is synchronously coupled with the land and atmosphere components through the E3SM coupling software. Terrestrial productivity is passed from E3SM to GCAM to make climate‐responsive land use and CO 2 emission projections for the next 5‐year period, which are interpolated and passed to E3SM annually. Key variables affected by the incorporation of these feedbacks include land use/cover change, crop prices, terrestrial carbon, local surface temperature, and climate extremes. Regional differences are more pronounced than global differences because the effects are driven primarily by differences in land use. This novel system enables a new type of scenario development and provides a powerful modeling framework that facilitates the addition of other feedbacks between these models. This system has the potential to explore how human responses to climate change impacts in a variety of sectors, including heating/cooling energy demand, water management, and energy production, may alter emissions trajectories and Earth system changes. Plain Language Summary Earth system models help us understand how humans are changing the climate. Currently, these models do not include human systems, so predetermined greenhouse gas, aerosol, and land use change data are input to these models. These data do not reflect human responses to changes projected by Earth system models. We have added a human component to an Earth system model to represent human responses to environmental change and calculate corresponding greenhouse gas and land use change data instead of using predetermined data. Including this human component changes projections of land use, land carbon storage, and regional climate. Key Points We have incorporated a novel, advanceable human component in an Earth system model to simulate human‐Earth feedbacks Including terrestrial productivity feedbacks from the Earth to the human systems affects land change, crop prices, carbon, and climate Regional effects of including terrestrial productivity feedbacks are greater than global effects because land change is the main driver

E3SM↗

FORCE Regression Testing

Via programs including the Light Water Reactor Sustainability and Integrated Energy Systems, the U.S. Department of Energy has invested in the Framework for Optimization of ResourCes and Economics (FORCE) software framework (Idaho National Laboratory 2024a) for the technical and economic analysis of nuclear-integrated energy systems (IES). Nuclear IES expand the use of nuclear from traditional baseload electricity generation to a flexible and adaptive source of combined heat and power. Nuclear heat can be used in the production of a variety of energy currencies such as hydrogen and ammonia as well as other heat applications including water desalination and district heating. FORCE is designed with the intent to provide interconnected analysis tools that enable the accurate technical and economic assessment of specific nuclear IES configurations for individual energy markets. FORCE consists of three main analysis pathways: HYBRID (Idaho National Laboratory 2024b), which contains high-resolution physical models for IES; Holistic Energy Resource Optimization Network (HERON) (Idaho National Laboratory 2024c), which analyzes IES long-term economic viability; and Optimization of Real-time Capacity Allocation (ORCA) (Idaho National Laboratory 2024d), designed for real-time control of IES via digital twins and optimal decision making, including autonomous and remote operation research. Development of the FORCE ecosystem is guided by three pillars: capability, which assures that the computational requirements of IES analysis are met by the software tools; reliability, which provides for consistent code performance and expected behaviors; and accessibility, which lowers the barrier to entry for using the software and accelerates analysis by users beyond the FORCE primary developers. Reliability of the FORCE ecosystem is established according to the American Nuclear Society?s Nuclear Quality Assurance (NQA-1) program [American Society of Mechanical Engineers 1982], with specific levels of software quality assurance (SQA) within NQA-1 applied to each software tool in FORCE. As the tools within FORCE have matured, some integration algorithms to accurately connect the software tools for holistic analysis have been developed and deployed within the FORCE software repository. In accordance with NQA-1 standards, regression tests are required to guarantee the software performs consistently even when new capabilities are added to the software. In this report, we document the deployment of both unit tests, which test the consistent behavior of small pieces of the FORCE code base, as well as integration tests, which test the consistent performance of full use cases for the FORCE integration algorithms. We further document the encapsulation of these tests within a test harness, which collectively checks for each successful test completion on demand. Finally, we document the automation of the test harness using GitHub Actions [GitHub 2024], which require all tests succeed before any new capability or other changes can be added to the FORCE integration software

97 MATHEMATICS AND COMPUTING↗

Enhancements and Deployment of the TDAQ System for the Mu2e Experiment

The Real Time Processing Systems Division at Fermilab has deployed new features to the Off-The-Shelf Data Acquisition framework (otsdaq) for the Mu2e experiment. The Mu2e experiment will search for the coherent neutrino-less conversion of a muon into an electron in the field of an aluminum nucleus with a sensitivity improvement of 10,000 times over existing limits. Such a charged lepton flavor-violating reaction probes new physics at a scale unavailable at present or planned high-energy colliders. The Mu2e Trigger and Data Acquisition (TDAQ) system uses otsdaq as its online Data Acquisition System (DAQ) framework. otsdaq integrates the artdaq and art frameworks for event transfer, filtering, and processing. otsdaq is a web-based DAQ software suite focusing on flexibility and scalability and provides a multi-user interface accessible through a web browser. artdaq handles the entire data stream, which is read over the peripheral component interconnect express (PCIe) bus to a software filter algorithm that selects events combined with the data flux coming from a cosmic-ray veto (CRV) system. Detector front-ends are configured through the PCIe bus by customized otsdaq plugins. The otsdaq slow controls infrastructure has been further developed using the experimental physics and industrial control system (EPICS) open-source platform for monitoring, controlling, alarming, and archiving. The detector control system (DCS) for Mu2e has been integrated into otsdaq. The production TDAQ and DCS system has been deployed at the experimental hall and is being debugged and optimized for experiment operations. We report on the feature enhancements and deployment of otsdaq for Mu2e.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Nanopolysaccharide Builder: A User-Friendly Tool for Atomistic Models of Polysaccharide-Based Nanostructures

Here, we introduce Nanopolysaccharide Builder (NPB), a user-friendly software tool designed to construct polysaccharide nanostructures─mainly those based on cellulose, chitin, and chitosan─using experimental data or user-defined parameters. NPB enables the generation of cellulose and chitin allomorphs with customizable biochemical topologies and also facilitates the construction of large bundles that replicate nanostructures found in biological support systems, including plant cell walls and arthropod cuticles. The software outputs atomic Cartesian coordinates in Protein Data Bank (PDB) format and also provides atom connectivity files in PSF and PARM formats, ensuring seamless integration with major molecular dynamics (MD) engines such as NAMD, CHARMM, GROMACS, AMBER, OpenMM, and LAMMPS. Built on an interactive visualization framework, NPB features a graphical user interface (GUI) and supports both macOS and Linux operating systems. By enabling detailed atomic-scale studies of polysaccharide evolution in extracellular matrices and cell walls of algae, bacteria, fungi, and plants, NPB is poised to advance AI-guided research in sustainable chemical development and biomass utilization.

Wan, Zhangmin [Univ. of British Columbia, Vancouve↗

Quantum Network Repeater Simulation Package (QNPack) v1.0.0

Existing quantum network testbeds and prototypes are typically implemented in laboratory experiments with limited functionality and operate in a tightly coupled manner. These characteristics make it difficult to evaluate the behavior of emerging quantum platforms and protocols beyond local resource limitations. The QNPack software enables full-stack modeling of quantum repeater networks that allows researchers to simulate new approaches, and understand emergent behaviors, from local to national scales. Novel capabilities include: (1) performant and accurate quantum models that can be executed as independent simulations, which will allow users to characterize specific analog quantum processes, quantum devices, and protocols, (2) a modular and extensible approach to the simulation architecture to accommodate new quantum technologies, protocols, and topologies as they are developed across the quantum repeater generations under evaluation, and (3) a focus on managing the interactions between the simulation framework sub-components so that they may be re-used and composed in flexible ways.

Kissel, Ezra [Lawrence Berkeley National Laborator↗

Advanced System Thermal Fluids Solver Development for SAM

This work summarizes a feasibility study on testing numerical algorithms that are suitable and efficient for advanced system analysis code development under the mutli-physics framework, MOOSE. The key is the implementation of a high-order one-dimensional staggered-grid finite volume method (SG-FVM), and its direct interaction with the linear/nonlinear solver, PETSc. Leveraging the existing capabilities of the SAM code, significant code coverages were established in the finite volume method code. This in turn allows for a suite of test problems with different problem sizes and levels of complexity to be used to quantify the performance improvement of the finite volume method code. As evidently shown in this study, the implemented SG-FVM demonstrated superior performance improvement against a direct finite element method implementation through MOOSE for the wide range of selected problems. On two computer systems, the speedup was observed to be significant, with at least one order of magnitude of solving time reduction. In addition, for a complex reactor model, transient simulation was performed using the finite volume method code, the results of which agree very well with the reference results from the finite element method code. Overall, this study demonstrates a successful feasibility study on the proposed numerical algorithms and software structure to support advanced system analysis tool development. In this work, short-term priority development and testing items were identified, and long-term code adoption and integration plans were made for the eventual deployment of the finite volume method in the SAM code.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Probabilistic Error Bounds for Low-Rank Tensor Decompositions Used in Large-Scale Data Analysis Applications (LDRD Final Report)

This report documents a research project on analyzing low-rank tensor models for data analysis that took place at Sandia National Laboratories from October 2023–September 2025. The focus of this work was to extend theoretical frameworks from statistics and probability theory for use with models for scalar, vector, and matrix data to models with tensor, or general multi-dimensional array, data. Through this work, we have provided a new set of tools for bounding errors on low-rank tensor models of both complete and sampled data. The remainder of this report is organized as follows. In Section 1, we describe the proposed work at the start of the project. Section 2 describes the research advances made as part of the project. Other research contributions in the form of conference presentations and software development is provided in Section 3. Workforce development at Sandia and Florida Atlantic University (via a subcontract on this project) is provided in Section 4.

97 MATHEMATICS AND COMPUTING↗

Success Path Method: Introduction to the Success Path Method Software Tool©

As part of its commitment to advancing safety and reliability assessment methodologies, Argonne National Laboratory pioneered the use of an evaluation method called the Success Path Method (SPM) to improve risk management for offshore oil and gas operations. The development of the SPM at Argonne has been driven by the need to improve existing risk assessment methodologies by focusing on the steps necessary for success rather than failure modes alone. This is particularly important for industrial environments like offshore facilities that perform multiple functions under a continuously evolving set of operational conditions – such as water depth and temperature, currents, and weather conditions. In these dynamic environments, the traditional Probabilistic Risk Assessment (PRA) approach is far too complex as it focuses on what can go wrong – which comprises an infinite failure space that must be fully explored and understood. By shifting the focus to a finite space of success paths, the SPM enables operators and decision makers to prioritize a manageable number of steps that must go right to ensure success. Building on its five decades of experience in safety assessments for the nuclear industry, Argonne made major adaptations to existing risk assessment methods utilizing features similar to fault trees that are traditionally used in PRA to map all pathways in which the system can malfunction. In contrast, SPM identifies the components and processes that must function correctly to achieve specific outcomes – such as preventing the uncontrolled release of hydrocarbons during drilling operations. The SPM framework integrates equipment, procedures, software, processes, and human actions to ensure that physical barriers meet critical safety functions in dynamic operational conditions. This approach helps identify failure modes and improve operational risk management by narrowing the focus to key success elements, which in turn reduces uncertainty and helps users understand, manage, and respond to failures.

97 MATHEMATICS AND COMPUTING↗

Calibrating a finite-strain phase-field model of fracture for bonded granular materials with uncertainty quantification

To study the mechanical behavior of mock high explosives, an experimental and simulation program was developed to calibrate, with quantified uncertainty, a material model of the bonded granular material Idoxuridine and nitroplasticized Estane-5703. This paper reports on the efficacy of such a framework as a generalizable methodology for calibrating material models against experimental data with uncertainty quantification. Additionally, this paper studies the effect of two manufacturing temperatures and three initial granular configurations on the unconfined compressive behavior of the resulting bonded granular materials. In each of these cases, the same calibration framework was used; in that, hundreds of high-fidelity direct numerical simulations using a new, graphics processing unit-enabled, high-performance finite element method software, Ratel, were run to calibrate a finite-strain phase-field fracture model against experimental data. It was found that manufacturing temperature influenced the elastic response of the mock high explosives, with higher temperatures yielding a stiffer response. By contrast, it was found that the initial configuration of the grains had a negligible impact on the overall behavior of the mock high explosives though it remains possible that local damage accumulation within the specimens could be altered by the initial configurations. Overall, the calibration framework was successful at creating well-calibrated models, showing its usefulness as an engineering and scientific tool.

36 MATERIALS SCIENCE↗

Feasibility Study on Implementing a Staggered-Grid Finite Volume Method for System Analysis Code Development Under the MOOSE Framework

Here, this work summarizes a feasibility study on testing numerical algorithms that are suitable and efficient for advanced system analysis code development under the mutli-physics framework, MOOSE. The key to the test bed is the implementation of high-order one-dimensional staggered-grid finite volume method (SG-FVM), and its direct interaction with the linear/nonlinear solver, PETSc. The test bed utilized a more flexible code structure to enable the finite volume method implementation and direct interacting with the solver package, instead of using the natively supported finite element method by the framework. Using a suite of selected test problems with different problem sizes and levels of complexity, the implemented SG-FVM demonstrated superior performance improvement against a direct finite element method implementation through MOOSE. On two computer systems, the speedup was observed to be significant, with at least one order of magnitude of solving time reduction. For a complex reactor model, transient simulation was performed using the newly developed finite volume method code, the results of which agree very well with the reference results from the finite element method code. Overall, this study demonstrates a successful feasibility study on the proposed numerical algorithms and software structure to support advanced system analysis tool development.

MOOSE↗

Integration of Waveform Simulation Methods

The generation of synthetic seismograms through simulation is a fundamental tool of seismology required to run quantitative hypothesis tests. A variety of approaches have been developed throughout the seismological community and each has their own specific user interface based on their implementation. This causes a challenge to researchers who will need to learn new interfaces with each new software they wish to use and create substantial challenges when attempting to compare results from different tools. Here we provide a unified interface that facilitates interoperability amongst several simulation tools through a modern containerized Python package. Further, this package includes post-processing analysis modules designed to facilitate end-to-end analysis of synthetic seismograms. In this report we present the conceptual guidance and an example implementation of the new Waveform Simulation Framework.

58 GEOSCIENCES↗

LinkML: an open data modeling framework

Background Scientific research relies on well-structured, standardized data; however, much of it is stored in formats such as free-text lab notebooks, nonstandardized spreadsheets, or data repositories. This lack of structure challenges interoperability, making data integration, validation, and reuse difficult. Findings LinkML (Linked Data Modeling Language) is an open framework that simplifies the process of authoring, validating, and sharing data. LinkML can describe a range of data structures, from flat, list-based models to complex, interrelated, and normalized models that utilize polymorphism and compound inheritance. It offers an approachable syntax that is not tied to any one technical architecture and can be integrated seamlessly with many existing frameworks. The LinkML syntax provides a standard way to describe schemas, classes, and relationships, allowing modelers to build well-defined, stable, and optionally ontology-aligned data structures. Once defined, LinkML schemas may be imported into other LinkML schemas. These key features make LinkML an accessible platform for interdisciplinary collaboration and a reliable way to define and share data semantics. Conclusions LinkML helps reduce heterogeneity, complexity, and the proliferation of single-use data models while simultaneously enabling compliance with FAIR (Findable, Accessible, Interoperable, and Reusable) data standards. LinkML has seen increasing adoption in various fields, including biology, chemistry, biomedicine, microbiome research, finance, electrical engineering, transportation, and commercial software development. In short, LinkML makes implicit models explicitly computable and allows data to be standardized at their origin. LinkML documentation and code are available at https://linkml.io/.

AI-ready data↗

AstraAI v1

AstraAI is an open-source, structure-aware AI coding agent designed for large scientific and DOE-HPC codebases such as AMReX-based applications. Unlike general-purpose coding assistants, AstraAI combines retrieval-augmented generation (RAG) with compiler-level Abstract Syntax Tree (AST) analysis to perform precise, scope-constrained code modifications. It identifies exact function spans, enforces locality of edits, and maintains cross-file invariants, enabling deterministic and build-safe transformations in complex C++/GPU environments. AstraAI is intended for developers working on large, evolving HPC frameworks where correctness, reproducibility, and structural integrity are critical. Typical use cases include modifying physics kernels, updating GPU device lambdas, and performing multi-file refactors without breaking compilation or runtime semantics. Compared to conventional LLM-based coding agents - even those with repository access - AstraAI provides structural guarantees rather than free-form text patches. It minimizes unintended diffs, prevents scope drift, preserves formatting and build stability, and reduces structural hallucinations. By integrating compiler tooling directly into the generation loop, AstraAI transforms AI-assisted coding from probabilistic text editing into deterministic, structure-preserving program transformation suitable for mission-critical scientific software.

Natarajan, Mahesh [Lawrence Berkeley National Labo↗

Enhancing ICARUS and REDTOP Software and Hardware: Event Generator Interface Development and Calorimeter Tile Prototype

ICARUS (Imaging Cosmic And Rare Underground Signals) is a liquid argon time projection chamber (LArTPC) detector that pursues the sterile neutrino, which relies on accurate simulations of neutrino-argon interactions. REDTOP (Rare Eta Decays To Observe new Physics) is a proposed low-energy, high-intensity meson factory designed to explore rare $\eta$/$\eta'$ meson decays and probe physics beyond the Standard Model. As a next-generation experiment, this requires both accurate simulations and innovative detector technologies. This project contributes to both ICARUS, from a simulation perspective, and REDTOP, from both a simulation and detection perspective, through the event generation of lepton-nucleon interactions and the physical enhancement of the calorimeter technology within the REDTOP detector. We developed an interface between ACHILLES (A CHIcago Land Lepton Event Simulator), a theory-driven lepton-level event generator, and GENIE, a robust event generator framework used for neutrino physics. By incorporating the precise theoretical cross-section calculations of ACHILLES into the experimental realism of GENIE, the interface allows for improved accuracy of neutrino-nucleon simulations, which can be adapted for the proton beam specifications of the REDTOP meson factory as well as for the ICARUS experiment. In parallel, we developed an improved prototype for the ADRIANO2 (A Dual Readout Integrally Active Non-segmented Option) dual-readout calorimeter tiles for the REDTOP detector. To improve the efficiency of the lead-glass tiles trapping Cherenkov light for energy reconstruction and particle identification, we optimized the application of a highly reflective coating. Through viscosity and thickness control, masking, and a custom spray technique, we refined the coating process to reduce surface defects and improve light yield. Together, these efforts strengthen the ICARUS neutrino program and REDTOP's capability of detecting rare decay events.

Visser, Erin [Michigan State U.] (ORCID:0009000184↗

Scientific Core Library Stack (SCLS) v2026

SCLS (Scientific Core Library Stack) is an opinionated build and packaging system for scientific computing libraries developed at Lawrence Berkeley National Laboratory. It produces a coherent, reproducible stack of numerical libraries — including BLAS/LAPACK, MPI, sparse direct and iterative solvers, graph partitioners, and parallel I/O libraries (e.g., PETSc, SLEPc, HDF5, NetCDF, MUMPS, OpenBLAS) — that work together without manual repair by downstream scientific software. From a single recipe-and-flavor model, SCLS produces native RPM packages for RHEL-family Linux, DEB packages for Debian/Ubuntu, direct Unix-style prefix installs for HPC and locked-down environments, and native macOS builds. Multiple build "flavors" (e.g., GCC+OpenBLAS, GCC+MKL, Intel+MKL, debug) coexist in distinct prefixes on the same host. Compared to general-purpose meta-build frameworks, SCLS is deliberately curated rather than infinitely configurable. It enforces deterministic, audit-friendly behavior: explicit build dependencies, no silent feature autodetection, a clear open-source license policy, and rpath-based runtime linkage so installs integrate cleanly with standard package-manager workflows.

Messe, Christian [Lawrence Berkeley National Labor↗