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Protecting and Defending against Autonomous Control Systems and Digital Twin Cyber Attacks: Response Strategy for Hyperparameter attacks of Digital Twin Machine Learning Models in Nuclear Power Plants (Final)

Navigating through the complex tapestry of technological advancements, "Response Strategy for Hyperparameter attacks of Digital Twin Machine Learning Model in Nuclear Power Plants" stands at the intersection of cybersecurity and nuclear power plant operations, embarking on a journey through the intricacies of securing digital twins against malicious cyber activities. As nuclear power plants progressively integrate digital twin technology and machine learning models to optimize operations and ensure system reliability, they inadvertently expose themselves to a new spectrum of vulnerabilities, notably in the realm of hyperparameter attacks. Hyperparameters, integral in machine learning model tuning and optimal performance of digital twins, have emerged as a target for adversaries aiming to destabilize the predictive capabilities and therefore, the operational accuracy of these digital entities within critical infrastructures like nuclear plants. This paper, therefore, meticulously threads the needle through the development of a robust response strategy, poised to shield these digital reflections against calculated hyperparameter manipulations, ensuring that the digital twin can effectively and securely function as a reliable proxy for its physical counterpart. The ensuing sections delve into the orchestrated maelstrom of multi-rate time-changing intelligent coordinated hyperparameter attacks and the implementation of event-triggered predictive control, laying down a structured, predictive, and responsive framework that safeguards the nexus where the digital and physical realms of nuclear power plants coalesce. The operational integrity of digital twins in nuclear power plants depends critically on the security of machine learning hyperparameters. This study makes two different contributions. First, a decision-based idea known as a multi-rate time changing intelligent coordinated hyperparameter attack is put forth. In this attack, many hyperparameters are repeatedly changed using both random and intelligent optimal techniques by the attacker. These assaults introduce varied rates at different attack steps, compromise various amounts of hyperparameters, and improve stealth and flexibility. Second, a technique is developed for event triggered predictive control to rapidly respond to potential hyperparameter attacks. This control integrates a sliding window framework, retaining a history of previous data points and employing linear regression to predict the next data point from the current dataset. The control gain K is determined using the Lyapunov-Krasovskii method, and subsequently, an action is developed. Finally, the outcome of the simulation demonstrates the viability of the proposed method for defending nuclear power plant digital twins from hyperparameter attacks.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Resource-Optimized Fermionic Local-Hamiltonian Simulation on a Quantum Computer for Quantum Chemistry

The ability to simulate a fermionic system on a quantum computer is expected to revolutionize chemical engineering, materials design, nuclear physics, to name a few. Thus, optimizing the simulation circuits is of significance in harnessing the power of quantum computers. Here, we address this problem in two aspects. In the fault-tolerant regime, we optimize the R z and T gate counts along with the ancilla qubit counts required, assuming the use of a product-formula algorithm for implementation. We obtain a savings ratio of two in the gate counts and a savings ratio of eleven in the number of ancilla qubits required over the state of the art. In the pre-fault tolerant regime, we optimize the two-qubit gate counts, assuming the use of the variational quantum eigensolver (VQE) approach. Specific to the latter, we present a framework that enables bootstrapping the VQE progression towards the convergence of the ground-state energy of the fermionic system. This framework, based on perturbation theory, is capable of improving the energy estimate at each cycle of the VQE progression, by about a factor of three closer to the known ground-state energy compared to the standard VQE approach in the test-bed, classically-accessible system of the water molecule. The improved energy estimate in turn results in a commensurate level of savings of quantum resources, such as the number of qubits and quantum gates, required to be within a pre-specified tolerance from the known ground-state energy. We also explore a suite of generalized transformations of fermion to qubit operators and show that resource-requirement savings of up to more than 20 % , in small instances, is possible.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Summary of Technical Peer Review on the Risk Assessment Framework proposed in Report INL/RPT-22-68656 for Digital Instrumentation and Control Systems

This report summarizes the peer review activities initiated by Idaho National Laboratory (INL) during fiscal year (FY) 2023 for the evaluation and improvement of the methodology developed under the U.S. Department of Energy (DOE) Light Water Reactor Sustainability (LWRS) Program, Risk Informed Systems Analysis (RISA) Pathway, digital instrumentation and control (DI&C) risk assessment project. In FY 2019, the RISA Pathway initiated a project to develop a risk assessment strategy for delivering a technical basis to support effective and secure DI&C technologies for digital upgrades/designs. A framework was proposed for this strategy, which aims to (1) provide a best-estimate, risk-informed capability to quantitatively and accurately estimate the risk impact of plant modernization, considering the introduction of high safety-significant safety-related (HSSSR) DI&C systems, (2) support and supplement existing risk-informed DI&C design guides by providing quantitative risk information and evidence, (3) offer a capability of design architecture evaluation of various DI&C systems, (4) assure the long-term safety and reliability of HSSSR DI&C systems, and (5) reduce uncertainty in costs and support integration of DI&C systems in the plant. The R&D efforts of this project from FY 2019 through FY 2022 were focused on methodology improvement and demonstration of the proposed framework for the risk assessment and design optimization of safety-critical DI&C systems. Collaborations with the nuclear industry have been initiated to support the reliability and risk assessment of their DI&C systems by using the proposed framework. In FY 2023, the framework has reached to a point for a technical peer review and obtain stakeholder feedback. This peer review activity includes coordination of the reviews performed by a group of industry stakeholders, documentation of the peer review suggestions, providing resolutions and responses to the peer review comments. The objective of this technical peer review is to obtain representative feedback on the proposed framework to improve the technical qualities of its methodology and readiness for deployment to the industry. Feedback may identify potential areas for improvement and further development. The Subject Matter experts were invited to review the latest project report documenting the methodology developed in the project and provide evaluations of the technical qualities of the proposed framework and relevant methods. The reviewed project report is “An Integrated Framework for Risk Assessment of High Safety-significant Safety-related Digital Instrumentation and Control Systems in Nuclear Power Plants: Methodology and Demonstration” INL/RPT-22-68656 (short as “INL/RPT-22-68656” in this report). This peer review report documents the technical questions provided for technical peer review and introduces the technical peer reviewers from the stakeholders including nuclear utilities, regulators, and universities. Comments from technical peer reviewers and the resolutions and responses to these comments are outlined. Insights and lessons learned from the technical peer review are summarized in conclusions and future work. The primary audience of this report are DI&C designers, engineers, and probabilistic risk assessment (PRA) practitioners. This includes stakeholders, such as the nuclear utilities and regulators who consider the deployment and upgrade of DI&C systems, DI&C software developers and reviewers, and cybersecurity specialists.

99 GENERAL AND MISCELLANEOUS↗

AI-Driven Detector Design for the EIC (Final Technical Report)

We developed an optimization workflow based on DNN-based fast-simulation and reconstruction algorithms. We used these methods to advance the design of calorimeter systems for the Electron-Ion Collider (EIC). This DNN-driven optimization provides a blueprint for integrating gradient-based methods into detector-design workflows. All software pipelines and methods have been released publicly and incorporated into the EIC collaboration’s physics studies, broadening their impact. Three journal articles detailing the methods developed here serve as a reference for the design and optimal use of next generation high-granularity calorimeter systems in nuclear and particle physics.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Integral Nuclear Data and Benchmarking Needs for Fusion Energy Systems

Fusion energy systems are currently being designed and optimized using radiation transport codes. To deal with the unique environment inside a fusion-based system, many of these designs incorporate novel materials able to withstand the high radiation fields, ensure adequate cooling and thermal protection, and produce tritium. Validation plays a vital role in building trust in the predictive power of these models and computational methods. Validation of a code consists of modeling documented real-world experiments and comparing the code-predicted response to the measured response. Adequate validation requires measured responses from real-world experiments, also known as integral data, that mimic the system being designed, including materials, impinging radiation, and temperature, among other variables. The most trusted integral data are experimental responses that have been through a rigorous benchmarking process that develops a recommended computational model and evaluates all experimental uncertainties. Finally, there are a few research groups around the world that have been producing integral data for fusion applications, but a substantial investment is needed to address the unique validation needs of the fusion community.

Fusion↗

Water Recovery From Cooling Tower Plumes

According to studies by the UN and the US State Department, we are on the path to an extreme freshwater shortage by 2030. The US’s largest water withdrawal source is power plants, which account for 39% of total US freshwater withdrawals, mostly for cooling. Cooling towers are the most common cooling system. To solve these problems and enable efficient water- based cooling – Infinite Cooling’s novel technology uses electric fields to ionize the air, charge the escaping water leaving cooling towers and direct the water toward mesh collectors where it collects and gets recycled for use in the cooling system. This technology was developed at MIT and was reduced to practice on a lab-scale prototype, and a prototype at the MIT Cogeneration Power Plant. This DOE award funded taking this technology from a lab-scale prototype to TRL 5 on an operating cooling tower in the field at the MIT Nuclear Research Laboratory. The funding helped to design and optimize an electrostatic plume collection system and test it in high-fidelity lab setting and in actual field conditions on a cooling tower. Throughout the award, Infinite Cooling investigated the formation of plumes on cooling towers, used that information to optimize the design, material and electrical properties of the collection device and quantified the collection yield via flow rate and water quality.

20 FOSSIL-FUELED POWER PLANTS↗

Applicability study of Bayesian optimization in core neutronic design using a toy model

At the Japan Atomic Energy Agency (JAEA), an innovative design approach named ARKADIA (Advanced Reactor Knowledge- and AI-aided Design Integration Approach through the whole plant life cycle) for advanced nuclear reactors is currently under development. One task in ARKADIA is to build a system that automatically optimizes core and fuel designs by conducting core neutronic and thermal-hydraulic calculations, fuel integrity evaluations, and plant dynamic analyses. This system will be implemented to automatically find an optimal design that minimizes (or maximizes) objective function defined by core performance while varying the core and fuel design parameters such as fuel pin diameter, core height and diameter. In this study, as the first step of system development, we focused only on core neutronic design and conducted a study of automatic optimization. As the optimization algorithm, Bayesian optimization (BO), an effective method for optimization problems with expensive computational cost of objective function, was utilized. The applicability of BO was studied based on single- and two-objective optimization examples of core neutronic design in a toy model. As a result, in the former, it was shown that BO can give the optimal solution, which matches the reference solution calculated by a brute force calculation well, with a small number of required calculations. Usability on core neutronic designs, where the computational cost per case is high, was confirmed. In the latter, it was found that BO can give a Pareto solutions-set that shows good agreement with the reference solution. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Irradiation-induced formation of G-phase precipitates and M 2 X carbides in self-ion irradiated HT-9

Ferritic-martensitic steels with high chromium content are a promising material group for advanced nuclear systems due to their high temperature strength and good irradiation tolerance. HT-9 is an optimized and often-studied alloy in this group, but additional studies are required on its radiation response under extreme conditions to be experienced in various types of nuclear reactors, especially with respect to phase stability under irradiation. Self-ion irradiation of HT-9 by 5 MeV Fe ions was used to simulate neutron-induced behavior reaching peak doses of 100 and 300 dpa at temperatures ranging from 450 to 550 °C. M 23 C 6 carbides that existed prior to irradiation were found to remain stable under all examined irradiation conditions. As irradiation progressed at 450 and 500 °C, however, formation of spherical-like G-phase precipitates and needle-like M 2 X carbides was observed. G-phase precipitates were found to be enriched in Ni, Si, and Mn, and show no interface segregation, whereas needle-like M 2 X carbides were rich in Cr and Mo and clearly displayed interface segregation of Ni and Si. M 2 X carbide formation is believed to be assisted by vacancies, while G-phase precipitation is thought to be assisted by interstitials. Finally, this difference in defect-mediated formation leads to a difference in distribution with depth. M 2 X carbides are distributed over shallower depths than that of G-phase precipitates, consistent with defect imbalance predictions that consider the influence of the injected interstitial effect.

atom probe tomography↗

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↗

An analysis of physics limited dispatch of nuclear renewable integrated energy systems using deep reinforcement learning and dynamic modeling

Previous approaches to dispatching nuclear integrated energy systems (NIES) have focused on the profitability and flexibility of these systems to operate on energy grids with highly variable pricing. However, due to the complexity involved in modeling and designing these systems, there has been less emphasis on ensuring that these dispatch strategies are physically achievable. It is imperative to develop methods that allow the system to remain within the desired NIES operating conditions and perform this based on realistic limited forecasted information. This research employs next generation artificial intelligence, namely deep reinforcement learning (DRL), and a dynamic system model written in Modelica to find a safe and profitable dispatch strategy for a solar nuclear hybrid design. The DRL agent is shown to find a novel dispatch strategy that manages both power ramping and power levels while respecting operational limits. This DRL-based dispatch is compared to other dispatching strategies including an optimal design solution from mixed integer linear programming (MILP). It is found that incorporating the physics of such a tightly coupled NIES limits the profitability of the MILP-based dispatch strategy. As a result, the MILP solution overestimates the design’s generated revenue. In contrast, DRL significantly reduces the number of breaches of safe operational conditions during energy arbitrage while maintaining profitability. Furthermore, this work paves the way for a more detailed assessment of NIES profitability and could be used to aid operator decisions on future NIES projects.

14 - SOLAR ENERGY↗

Co-optimization of nuclear reactor flexible power operation and maintenance scheduling

As flexible power operation of nuclear power plants becomes more attractive due to the reduction in fossil-fueled dispatchable generation on energy grids, finding optimal power production strategies that balance revenue generation with operational concerns becomes more complex. This article presents a general framework to aid operators in designing economically optimal long term dispatch strategies for nuclear power plants. The principal novelty is the linking of estimated system remaining useable life (RUL) to strategic operational decisions. It is shown that, depending on the relationship between the fixed costs from maintenance and the associated lost revenue from an outage, it can be economically optimal in the long term to delay a maintenance outage and not perform this alongside refueling. For a given relationship between power ramping and degradation, optimal strategies were found that discouraged load following in some situations while minimizing unnecessary maintenance. It is shown that heavy load following can cause maintenance and refueling outages to diverge due to their inverse relationships with respect to load following, potentially leading to a significant loss in capacity factor. As a result, this general framework can be applied to specific reactor dispatch allowing operators to adapt operational strategies as future grid conditions change.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Uncertainty propagation and sensitivity analysis for constrained optimization of nuclear waste vitrification

Abstract The vitrification of high‐level waste (HLW) by heating a mixture of glass‐forming chemicals (GFCs) with the waste can be improved using a constrained optimization problem. This study explores how different uncertainty propagation (UP) methods implemented with the optimization process can affect the glass formulation of nuclear waste glasses. UP is the effort of propagating uncertain inputs through a system to understand and quantify output distributions. Uncertainty intervals are crafted from output distributions to inform the optimization algorithm. UP is often implemented with Monte Carlo (MC) sampling for large nonlinear systems, which can be difficult to implement within a constrained optimization algorithm that requires derivative information. Other UP methods often used for optimization under uncertainty (OUU) can be designed to work within an established constrained optimization framework. Methods of UP are evaluated in this study including iterative sampling approaches, first‐order approximations, and surrogate modeling with machine learning (ML). A method of dimensional reduction based on global sensitivity analysis is introduced to support the UP methods for the large dimensionality of the problem. Analytical UP methods able to achieve similar optimums 10 times faster than the baseline MC approach, and produce 93.9% similar output distributions are reported.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Spin squeezing of macroscopic nuclear spin ensembles

Spin squeezing has been explored in atomic systems as a tool for quantum sensing, improving experimental sensitivity beyond the spin standard quantum limit for certain measurements. To optimize absolute metrological sensitivity, it is beneficial to consider macroscopic spin ensembles, such as nuclear spins in solids and liquids. Coupling a macroscopic spin ensemble to a parametrically-modulated resonant circuit can create collective spin squeezing by generating spin correlations mediated by the circuit. We analyze the squeezing dynamics in the presence of decoherence and finite spin polarization, showing that achieving 7 dB spin squeezing is feasible in several nuclear spin systems. The metrological benefit of squeezing a macroscopic spin ensemble lies in the suppression of technical noise sources in the spin detection system relative to the spin projection noise. This expands the experimental sensitivity bandwidth when searching for signals of unknown frequency and can improve the resonant signal-to-noise ratio. Squeezing macroscopic spin ensembles may prove to be a useful technique for fundamental physics experiments aimed at detecting spin interactions with oscillating background fields, such as ultralight dark matter. Published by the American Physical Society 2025

Boyers, Eric↗

Particle Swarm Optimisation for group structure optimization for radiotherapy shielding

Neutron transport simulations are ubiquitous in nuclear engineering because they allow one to model experimental systems and render a model platform for easy perturbation of experimental designs. In addition, simulations allow one to gain experimental insight without actually having to go through the trouble of building a physical experiment. Neutron transport simulations can be stochastic or deterministic based. Stochastic neutron transport simulations are typically simulated using the Monte Carlo method and yield very accurate solutions but are computationally expensive, while deterministic methods are typically faster but can be less accurate. Here we focus on optimizing the accuracy of deterministic neutron transport simulations for radiotherapy simulations. Deterministic neutron transport requires discretization of angle, energy, and space to appropriately analyze the system one is trying to model. Discretization of energy is challenging because of the highly variable neutron flux at certain neutron energies. Improper discretization of energy in the transport model can lead to erroneous results and therefore inaccurate interpretations of the solution. In this study, we evaluate Particle Swarm Optimization (PSO) as a mechanism for selecting optimal group structures for radiotherapy shielding. We tested the particle swarm optimization algorithm on radiotherapy shielding problems using Los Alamos National Laboratory's (LANL) main deterministic transport code PARTISN. Results show that the optimized energy group structures generated from the optimization algorithm outperformed LANL's standard energy group structures, and therefore demonstrate utility in using PSO to expedite computation times due to the increased accuracy obtained with a smaller but optimized group structure. (authors)

43 PARTICLE ACCELERATORS↗

Assessment of Molten Eutectic LiF-NaF-KF Density through Experimental Determination and Semiempirical Modeling

Molten salts have favorable material properties for use in high-temperature energy systems, including thermal energy storage systems, concentrating solar power plants, nuclear reactors, and various industrial manufacturing processes. Knowledge of chemical and thermophysical property data is essential for the design and optimization of these systems, yet data are often limited or uncertain for many candidate salts due to the difficulty of thermophysical property measurements at relevant temperatures (e.g., 500–900 °C). Here, the density of molten LiF-NaF-KF eutectic is reassessed through review of previous experimental data, new density measurements from 470 to 800 °C, and semiempirical modeling. Additionally, the density was measured using the displacement technique. Compositional and temperature-dependent density estimates were calculated with a multidimensional Redlich–Kister model. The results of the new experimental measurements agree within 2% of the modeled density of molten eutectic LiF-NaF-KF. The Redlich–Kister model’s prediction shows a near-ideal density behavior for the LiF-NaF-KF system and is promising for the estimation of off-eutectic LiF-NaK-KF densities. Finally, through review of the existing literature and comparison to new measurements, recommendations are made for the density of LiF-NaF-KF.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Development of a coupled experimental–computational approach for engineering optimization of spout-fluidized bed particle coating systems

The design of spout-fluidized bed (SFB) coating systems for nuclear particle fuels typically relies on trial-and-error processes, comprising iterative and time-consuming coating deposition experiments and post-deposition characterization. At an engineering scale, this approach to guided SFB system design is inefficient, highlighting the need for streamlined experimental methodologies which can correlate fluidization conditions to downstream coating outcomes. In this study, we combine time-resolved particle image velocimetry (PIV) with CFD–DEM simulations to benchmark hydrodynamic behavior in a 3D spout-fluidized bed. By exploiting easily accessible optical measurements of particle motion at the bed wall and within the spouting region, we obtain quantitative velocity fields that can be directly compared with model predictions of the occluded bed region, without resorting to complex imaging and characterization techniques such as X-ray or magnetic resonance tomography. Experimental benchmarking reveals strong agreement between CFD–DEM and PIV in the spout and annulus regions, while discrepancies near the wall highlight areas for future model development. Here, the proposed integrated experimental–numerical framework will enable a direct connection between measured variables and numerically predicted fluidization performance of dense, surrogate nuclear particle fuel feedstock such that experimental SFB component design can be rapidly evaluated, informing design decisions for nozzle geometry and operating conditions. Future work will extend this framework by correlating quantified fluidization metrics across nozzle geometries and operating conditions with the resulting coating morphology, microstructure, and uniformity. Establishing these correlations will enable predictive links between hydrodynamic performance and coating quality, providing a rational, scalable basis for optimizing SFB design prior to coating deposition.

CFD/DEM↗

Performant automatic differentiation of local coupled cluster theories: Response properties and ab initio molecular dynamics

In this work, we introduce a differentiable implementation of the local natural orbital coupled cluster (LNO-CC) method within the automatic differentiation framework of the PySCFAD package. The implementation is comprehensively tuned for enhanced performance, which enables the calculation of first-order static response properties on medium-sized molecular systems using coupled cluster theory with single, double, and perturbative triple excitations [CCSD(T)]. We evaluate the accuracy of our method by benchmarking it against the canonical CCSD(T) reference for nuclear gradients, dipole moments, and geometry optimizations. In addition, we demonstrate the possibility of property calculations for chemically interesting systems through the computation of bond orders and Mössbauer spectroscopy parameters for a [NiFe]-hydrogenase active site model, along with the simulation of infrared spectra via ab initio LNO-CC molecular dynamics for a protonated water hexamer.

Chemistry↗