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At least 55 records · Page 3

Cyber-Informed Engineering Adoption in University Engineering Programs: An Overview of CIE Integration Successes at Nine U.S. Educational Institutions

This report examines the adoption of Cyber-Informed Engineering (CIE) in university engineering programs, driven by the need to protect critical energy infrastructure from adversarial threats. CIE equips current and future engineers and technicians with the necessary mindset, skills, and competencies to enhance the resilience of engineered systems against cyber attacks. This report highlights nine academic partners who are incorporating CIE into their curricula through various approaches, including lectures, courses, and certificates.

42 ENGINEERING

Inverse Thermodynamics: Designing Interactions for Targeted Phase Behavior

The traditional goal of inverse self-assembly is to design interactions that drive particles toward a desired target structure. However, achieving successful self-assembly also requires tuning the thermodynamic conditions under which the structure is stable. In this work, we extend the inverse design paradigm to explicitly address this challenge by developing a framework for inverse thermodynamics, i.e., the design of interaction potentials that realize specific thermodynamic behavior. As a step in this direction, using patchy particle mixtures as a model system, we demonstrate how precise control over both bonding topology and bond energetics enables the programming of targeted phase behavior. In particular, we establish design principles for azeotropic demixing and show how to create mixtures that exhibit azeotropy at any prescribed composition. Our predictions are validated through Gibbs-ensemble simulations [Panagiotopoulos, Mol. Phys. 1987, 61, 813−826]. These results highlight the necessity of coupling structural design with thermodynamic engineering, and provide a blueprint for controlling complex phase behavior in multicomponent systems.

Azeotropes

Q-IRIS: The Evolution of the IRIS Task-Based Runtime to Enable Classical-Quantum Workflows

Extreme heterogeneity in emerging HPC systems are starting to include quantum accelerators, motivating runtimes that can coordinate between classical and quantum workloads. We present a proof-of-concept hybrid execution framework integrating the IRIS asynchronous task-based runtime with the XACC quantum programming framework via the Quantum Intermediate Representation Execution Engine (QIR-EE). IRIS orchestrates multiple programs written in the quantum intermediate representation (QIR) across heterogeneous backends (including multiple quantum simulators), enabling concurrent execution of classical and quantum tasks. Although not a performance study, we report measurable outcomes through the successful asynchronous scheduling and execution of multiple quantum workloads. To illustrate practical runtime implications, we decompose a four-qubit circuit into smaller subcircuits through a process known as quantum circuit cutting, reducing per-task quantum simulation load and demonstrating how task granularity can improve simulator throughput and reduce queueing behavior -- effects directly relevant to early quantum hardware environments. We conclude by outlining key challenges for scaling hybrid runtimes, including coordinated scheduling, classical-quantum interaction management, and support for diverse backend resources in heterogeneous systems.

Miniskar, Narasinga Rao [ORNL] (ORCID:000000018259

TEAMER Technical Support of Ramboll's for Numerical Modeling of WECs to Support OES Task 10: Cooperative Research and Development (Final Report)

National Technology & Engineering Solutions of Sandia, LLC (NTESS) in collaboration with the National Renewable Energy Laboratory (NREL), and with guidance from Ramboll, will perform fluid dynamics simulations to support of The Ocean Energy Systems (OES) Energy Technology Collaboration Program Task 10 Wave Energy Converters (WEC) Modelling Verification and Validation effort. Specific numerical simulations include the fixed device wave impingement studies to benchmark the performance of simulation techniques against physical testing results.

16 TIDAL AND WAVE POWER

All Systems Go: Regional Collaborations for Scaling AEC Innovation: Preprint

The high and rising cost of preserving and delivering housing in the U.S. requires changes to existing practices of finance, design, and construction. Innovative methods such as industrialized construction could offer the means to address housing undersupply while reducing delivery costs, operational costs and material waste in the building industry, but they face challenges to success and to scale. Simultaneously, construction and cleantech innovators themselves face skepticism from the traditional entrepreneurial ecosystem such as incubators and accelerators while attempting to navigate systems level challenges. To respond to this need, various public and private sector stakeholders have launched initiatives to support innovative companies. These include nonprofits such as Terner Labs and Ivory Innovations offering curated programming to architecture, engineering, and construction (AEC) startups; housing developers in Minnesota and California "bundling" multiple projects together to reach economies of scale with a consistent project team; public and private sector entities developing "catalogues" of pre-approved home designs in the U.S. and Canada. This exploratory paper documents several of these emerging ecosystem-development efforts to support innovative housing approaches, characterizing them by leading stakeholder and intervention strategy based on publicly available information. The paper finds that these initiatives share similar high level goals but vary in implementation, reflecting different stakeholder priorities, regional market and policy dynamics, and housing typologies. The early stage of these efforts offer limited data for comparing actual outcomes, but the paper highlights common qualitative themes and identifies opportunities for further research and potential coordination among these efforts.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI

Co-optimization of fuel properties, combustion system geometry, and injection strategy for conventional diesel fuel

Here, studies have shown that fuel properties can impact an engine’s operation in several ways, including ignition delay, sooting tendency, mixture formation, and combustion temperature. In mixing-controlled compression ignition (MCCI) engines, the fuel system design and piston bowl geometry significantly affect combustion performance and emissions. Based on current information, it is difficult to draw conclusions about fuel property effects and sensitivities. The central fuel hypothesis approach used in the US Department of Energy Co-Optima program has worked well for spark ignition fuels: identifying critical fuel property ranges is sufficient to screen fuel blends that are expected to maximize efficiency and reduce pollutant emissions. However, for MCCI-relevant fuels, the information gained from past studies is not sufficient to build such a merit function or to allow for performing a similar screening of fuel blends. It is hypothesized that a co-optimization of a fuel’s physical and chemical properties, combustion system geometry, and injection strategy could leverage synergies between the effects of the fuel properties and geometries, resulting in improved performance over state-of-the-art. A machine learning–assisted unconstrained global optimization algorithm was used to explore a design space comprising 23 independent variables. The results show that physical property effects were minimal even for large variations in fuel properties, and the only interaction effect that was observed was the effect of varied fuel density parameters on fuel/air mixture formation. Nevertheless, these interactions were not sufficient in magnitude to significantly affect optimization results. Therefore, analysis of the results suggests that fuel physical properties cannot be leveraged in a co-optimization context to increase engine efficiency.

33 ADVANCED PROPULSION SYSTEMS

NEXT Generation Energy Technologies for Connected and Automated On-Road Vehicles (NEXTCAR Phase I & II)

The Ohio State University’s ARPA-E NEXTCAR project was a multi-phase, multi-year research, development, and demonstration program focused on improving the energy efficiency of connected and automated vehicles (CAVs). The team developed and validated advanced vehicle motion and powertrain control algorithms that coordinate propulsion and automation systems to optimize energy use. Key technologies included Dynamic Skip Fire engine control, predictive eco-driving functions such as Eco-Approach and Departure (Eco-AND) and Eco-Adaptive Cruise Control (Eco-ACC), and powertrain-agnostic optimization frameworks for hybrid, plug-in hybrid, and battery electric vehicles. The project successfully demonstrated up to 30% energy-efficiency improvement during real-world testing at the Transportation Research Center and the American Center for Mobility. The outcomes provide a foundation for scalable, cost-effective deployment of energy-optimized CAV technologies across the automotive industry.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI

ANS Winter 2024 Summary: MCCAFE: The Monte Carlo Constructor for ATR Fuel Elements

The Irradiation Experiment Neutronics Analysis Department at Idaho National Laboratory (INL) has implemented a new analysis workflow for experiments in the Advanced Test Reactor (ATR). One key piece of this workflow is the Monte Carlo Constructor for ATR Fuel Elements, or MCCAFE. For each ATR operating cycle, the Reactor and Nuclear Safety Engineering (RNSE) Department first solves the core in eigenvalue mode and depletes the driver fuel materials. In a separate calculation, neutronics analysts model and deplete the materials of one or more irradiation experiments, usually in a series of fixed-source Monte Carlo N-Particle (MCNP) models of the ATR for neutron transport calculations. It was desirable to use the results of the former calculations to inform the models of the latter. MCCAFE is a Python program developed using American Society of Mechanical Engineers Nuclear Quality Assurance-1 procedures at INL. Its purpose is to take the calculated results from the RNSE depletion solutions and the measured or projected operating parameters from the Nuclear Data Management and Analysis System (NDMAS) to generate fixed-source models of the ATR core at given points in time across one or more cycles.

99 - GENERAL AND MISCELLANEOUS

SEAS Communication Engine: An Extensible, Flexible Wrapper for Co-Simulation Agents

When modeling and analyzing the power grid and other large scale systems, researchers often express scenarios as optimization problems and feed them into advanced software solvers. In order to allow multiple solvers to communicate with each other and share data from different domains, the National Renewable Energy Laboratory (NREL) and associated Department of Energy (DOE) labs have developed a software framework called the Hierarchical Engine for Large-scale Infrastructure Co-Simulation (HELICS). HELICS allows cosimulation via a collection of client libraries for different languages that can be called from the appropriate optimization software. However, these client libraries do not provide a higher level of abstraction beyond reading and writing data off of the shared HELICS bus. In this paper, we describe a new software library called the SEAS Communication Engine that exposes a higher-level API for running cosimulation problems. The SEAS Engine provides a class-based abstraction on top of the Python HELICS client, in order to allow users to implement their domain-specific cosimulations without needing to interact with core HELICS primitives. This will make adoption of HELICS and cosimulation in general easier, by exposing a simpler API. In the second part of the paper, we validate our library on a collection of different simulation examples, including the canonical IEEE 13 Bus Feeder. Lastly, we demonstrate using the SEAS Engine to directly call domain-specific code written in the Julia programming language. Our hope is that this will serve as a template for easily calling software in different programming languages via the SEAS Engine, thereby avoiding code duplication and complexity.

co-simulation

Primary System Thermal Fluids Analysis Model Development for the Compact High Temperature Gas Reactor (HC-HTGR) (Final Report)

Horizontal Compact High Temperature Gas Reactor (HC-HTGR) is being designed by a multi-disciplinary team of nuclear, mechanical, and structural engineers under the support of a DOE-NE Advanced Reactor Demonstration Program’s Advanced Reactor Concepts-20 (ARC-20) award. The objective of this ARC-20 project is to deliver a conceptual design for the proposed HC-HTGR and support its commercialization as a safe, low-cost HTGR. Argonne National Laboratory (Argonne) is collaborating on the thermal hydraulic design and analysis of HC-HTGR reactor pressure vessel internals to ensure the reactor maintains sufficient safety margins during normal operation, shutdown, and accident conditions.

22 GENERAL STUDIES OF NUCLEAR REACTORS

Understanding and Tailoring Diffusion and Co-Adsorption Inside the Confined Pores of Metal-Organic Frameworks (Final Scientific/Technical Report for Award DE-SC0019902)

The aim of this program was to gain a fundamental understanding of the behavior of various guest molecules in nano-confined environments, such as metal organic frameworks (MOFs), using a combination of novel synthesis, ab initio modeling, and in situ characterization. Through this project, we developed a concise understanding of the mechanisms that control adsorption/desorption of gaseous molecules and their mixtures, leading to design/synthesis guidelines for MOFs with desired functionality. We further developed methods to disentangle kinetic from thermodynamic effects during adsorption, as well as to characterize the interactions at play. In the first funding cycle, the focus was on the unambiguously characterization of co-adsorption and diffusion of gasses/vapors and their mixtures. In the second funding cycle, the focus was on characterizing the effects of the nano-confinement on the kinetics and thermodynamics of adsorption processes inside MOFs, again with an emphasis on mixtures of gasses and vapors. The nano-confinement can tip the thermodynamic vs. kinetic balance, and current understanding and theory based on single-component analysis can lead to incorrect predictions for mixtures. This is of particular interest in real-world applications, where gasses/vapors are typically mixed, contain impurities, or are often exposed to humid conditions. Our main findings were: (i) within confined environments the adsorption behavior of mixed gasses/vapors can be drastically different from the “sum” of the corresponding single phases; (ii) co-adsorption is often competitive and detrimental to performance, but it can also be cooperative and beneficial; (iii) in some co-adsorbed gasses/vapors, molecules that are strongly bound in the single-component phase can be replaced by molecules that are nominally weaker bound (molecular exchange) due to guest-guest interactions that lower the kinetic barriers and favor the final adsorption state; (iv) kinetic and thermodynamic effects can be precisely controlled through pore-size engineering and synthesis; and, (v) kinetic effects can be identified and disentangled from thermodynamic effects during adsorption through a series of sequential and simultaneous gas loading measurements. The short-term goal of this program was the controlling and understanding of common MOF systems in real-world situations where gasses/vapors are mixed, which will have an important impact on industrial processes and applications from gas storage and sequestration to catalysis and sensors. The long-term goals include the development of theoretical and experimental methods for gaining a fundamental understanding of adsorption/reaction processes within MOFs, as well as new guidelines for synthesizing MOFs with tailored physical and chemical properties.

36 MATERIALS SCIENCE

Lessons Learned from Open-Source Software Training Toward Expanding the Fusion Workforce

Within the United States (U.S.), the Fusion Innovation Research Engine (FIRE) Collaboratives seek to accelerate fusion technology development through wide-ranging community-driven research activities that bring together industry, laboratories, research institutes, and academia. Increasing the maturity of key components and systems for future fusion power plants (FPPs) toward commercialization, will, by necessity, increase the need for knowledgeable engineers, designers, and researchers in industry capable of integrating and further improving these technologies within industry FPP concepts. Further, various modeling and simulation packages support these programs and are under-development within them to drive design iteration and the development of FPP digital twins. To derive the greatest benefit from model output and capabilities, training these same specialists will be vital. Thus, the development of effective and accessible software onboarding and professional development opportunities focused on fusion will be key to keeping the pace of growth high in the coming decade and beyond. A similar need exists within the advanced fission reactor community, driven by an ever-growing need for carbon-free baseload power for industrial and data center applications. Within the U.S. and around the world, several open-source packages and frameworks exist to support this endeavor, and two we will highlight here are the Multiphysics Object Oriented Simulation Environment (MOOSE) framework and OpenMC. These packages, notably, are also being utilized in the FIRE Collaboratives program. In this presentation, we will highlight the lessons learned from over 30 years of combined software development and training experience, focused on developing strong technical software foundations within the nuclear workforce, from students to professional engineers & scientists. We will connect this experience to present and emerging needs in the fusion energy community, and, finally, will outline possible paths forward to develop a large, robust, global fusion workforce.

70 - PLASMA PHYSICS AND FUSION TECHNOLOGY

Colorado State University Extension Industrial Assessment Center

Since its inception in 1984, the Colorado State University Industrial Assessment Center has performed industrial assessments at more than 720 manufacturing facilities in Colorado, Montana, Nebraska, Nevada, New Mexico, North Dakota, South Dakota, Utah, and Wyoming. From 2017 to 2019 there was a funding gap and the IAC shutdown. In 2020 through DOE extension funding the University relaunched the IAC as an extension center in order to provide assessments to underserved areas. Under this award, the CSU Industrial Assessment Center (IAC) was rebuilt with the help of student employees and the director. The CSU team experienced difficulty as the program was in the process of being restarted right as the 2020 pandemic hit. Nonetheless, the CSU IAC was instrumental in providing energy assessments to manufacturers in Colorado and Wyoming during the period of performance of 09/2019 – 12/2022. The Department of Energy's Industrial Assessment Centers (IACs) provide a valuable service to small and medium-sized manufacturers seeking to optimize their operations. These university-based centers offer no-cost, on-site assessments conducted by engineering faculty and students, analyzing energy consumption, production processes, and waste streams. They utilize advanced data acquisition systems to record operational data, and then use the data to create assessment recommendations. These recommendations form the foundation of the comprehensive energy report. The comprehensive report delivers actionable recommendations for enhancing energy efficiency, reducing waste, and reducing greenhouse gas emissions and improving productivity, often identifying significant cost savings. Furthermore, IACs facilitate access to implementation grants, enabling the businesses to readily adopt these improvements. This program not only strengthens individual businesses but also contributes to national goals of training the next generation of energy experts, as well as increasing industrial competitiveness and reduced environmental impact.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI

Artificial Intelligence for (AI) Nuclear Security: Expert Perspectives on AI Priorities for the Office of International Nuclear Security

Artificial intelligence (AI) has the potential to transform nuclear security operations, offering opportunities to enhance effectiveness while simultaneously introducing new challenges. As AI technologies rapidly evolve, agencies across the United States Government (USG) are researching, implementing, and evaluating various AI models and systems. Given the broad capabilities and applications of these technologies, it is essential for each agency to identify and articulate those areas where it can make meaningful contributions aligned with its mission and expertise. To address this need for strategic focus, in late Fiscal Year 2025 (FY2025), the Office of International Nuclear Security (INS) established an AI Task Force (AITF) to gather input from subject matter experts (SMEs) regarding the most appropriate role INS could serve in researching, evaluating, or implementing AI for nuclear security. The AITF engaged 15 experts from national laboratories with backgrounds in cyber security, physical security, transport security, insider threat mitigation, nuclear engineering, human-systems engineering, and AI/ML development. This white paper summarizes the insights gathered from these SMEs and presents a potential roadmap for INS engagement with AI technologies. The recommendations outlined here are intended to inform INS leadership as they make strategic decisions about resource allocation and program direction in this rapidly evolving technological domain.

97 MATHEMATICS AND COMPUTING

Agentic AI vs ML-Based Autotuning: A Comparative Study for Loop Reordering Optimization

High Performance Computing (HPC) applications rely heavily on code optimizations to achieve good performance on modern CPU and GPU architectures. Traditional Machine Learning auto-tuning approaches have demonstrated success in exploring high-dimensional spaces, but they often require expensive compile-run evaluations and lack adaptability for large HPC applications. The recent advances in Large Language Models (LLMs) and Agentic AI systems raise intriguing questions about the potential of these approaches to address specific optimization methodologies. This work aims to answer an essential question for the HPC community: “How Agentic AI Systems Compare to Traditional ML Autotuning Techniques?” To address this question, we present a comparative analysis between a traditional ML-based optimization approach and an Agentic AI system, evaluating their respective capabilities and limitations for loop-level optimization. In addition, we introduced a new Agentic AI system named LoopGen-AI using three different Large Language Models: GPT-4.1, Claude 4.0, and Gemini 2.5. A key finding is that LoopGen-AI achieves competitive per-formance with only a few program runs, the reasoning logs from the agents revealed that their decisions rely heavily on the combination of semantic understanding of the target kernel with dynamic feedback from the environment, highlighting a promising new dimension in performance tuning. In contrast, ML-based autotuners focus on statistical exploration, and require orders of magnitude more runs to reach peak performance. Additionally, our analysis shows that prompt engineering, particularly using Persona + Context Manager patterns, significantly impacts the effectiveness of Agentic AI. Our results indicate that while Agentic AI systems are not yet a complete replacement for ML-based autotuners, it can effectively complement traditional methods.

Rosas, Miguel Romero

Energy-efficient multimodal mobility networks in transportation digital twins: Strategies and optimization

The study proposes a comprehensive Transportation Mobility (TransitMo) framework covering conceptual design, model formulation, optimization, simulation, and impact analysis of the transportation mobility system. TransitMo is composed of a transportation digital twin developed in Simulation of Urban MObility (SUMO) and an Intelligent Traffic Management and Control Center (ITMCC) that identifies the best ways to improve the movement of people within urban areas using various modes of transportation. This study encompasses advanced modeling techniques, algorithms, and strategic testing to optimize energy efficiency and mobility in a multimodal shared mobility network. TransitMo’s practical applications are exemplified through a city-scaled simulation network in Chattanooga, TN, employing demographic data to analyze historical traffic patterns and forecast future demands. Central to this methodology are three models: the User Preference Model (UP), the Energy Consumption Model (EC), and the System Optimization Model (SO). These models work in concert to iteratively devise the optimal travel incentives and minimize the total system cost in a real-time manner. In conclusion, test results verified that the proposed adaptive incentive program and optimized bus scheduling can improve network performance by increasing public transit ridership.

42 ENGINEERING

BESS Digital Assurance, Supply Chain Risk Management, and Emerging Regulation Session One - Abridged

The TADA BESS Supply Chain Workshops are designed to equip participants with the knowledge and tools necessary to address the evolving challenges at the intersection of battery energy storage systems (BESS), cybersecurity, and supply chain vulnerabilities. The workshops emphasize the application of Cyber-Informed Engineering (CIE) principles using INL’s procurement guide and the CIE-BAT tool. Attendees will develop risk-based security strategies and actionable compliance roadmaps tailored to their BESS projects. Additionally, the program fosters a collaborative network of practitioners and provides guidance on navigating emerging regulatory requirements, including FEOC rules under the OBBB framework, to assess and enhance organizational readiness. This is Session 1 of 3.

25 - ENERGY STORAGE

BESS Digital Assurance, Supply Chain Risk Management, and Emerging Regulation Session Two

The TADA BESS Supply Chain Workshops are designed to equip participants with the knowledge and tools necessary to address the evolving challenges at the intersection of battery energy storage systems (BESS), cybersecurity, and supply chain vulnerabilities. The workshops emphasize the application of Cyber-Informed Engineering (CIE) principles using INL’s procurement guide and the CIE-BAT tool. Attendees will develop risk-based security strategies and actionable compliance roadmaps tailored to their BESS projects. Additionally, the program fosters a collaborative network of practitioners and provides guidance on navigating emerging regulatory requirements, including FEOC rules under the OBBB framework, to assess and enhance organizational readiness. A comprehensive exploration of BESS cybersecurity supply chain risks, systematic vendor risk assessment through the BESS Procurement Guide, and practical application of the INL SCRM Chatbot for enhanced supply chain resilience. This is Session 2 of 3. (Full Version)

25 - ENERGY STORAGE