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At least 1,009 records · Page 56

Dakota, a multilevel parallel object-oriented framework for design optimization, parameter estimation, uncertainty quantification, and sensitivity analysis :

The Dakota (Design Analysis Kit for Optimization and Terascale Applications) toolkit provides a exible and extensible interface between simulation codes and iterative analysis methods. Dakota contains algorithms for optimization with gradient and nongradient-based methods; uncertainty quanti cation with sampling, reliability, and stochastic expansion methods; parameter estimation with nonlinear least squares methods; and sensitivity/variance analysis with design of experiments and parameter study methods. These capabilities may be used on their own or as components within advanced strategies such as surrogate-based optimization, mixed integer nonlinear programming, or optimization under uncertainty. By employing object-oriented design to implement abstractions of the key components required for iterative systems analyses, the Dakota toolkit provides a exible and extensible problem-solving environment for design and performance analysis of computational models on high performance computers. This report serves as a user's manual for the Dakota software and provides capability overviews and procedures for software execution, as well as a variety of example studies.

97 MATHEMATICS AND COMPUTING↗

Trajectory Planning and Online Performance Model Estimation for Advanced Air Mobility

We propose a framework for adaptive guidance based on optimal control and estimation using closed-loop performance models. In the proposed approach, parameters of a reduced-order performance model are estimated in real time so that trajectories and guidance commands are replanned with more accurate knowledge of the system's response and performance capabilities. To apply this methodology to flight control systems, we introduce a simple yet expressive performance model modified from a reference linear design model. The proposed framework is applied to guidance of a simulated Advanced Air Mobility class concept aircraft experiencing control effector failures. We demonstrate that, by optimizing performance model parameters in real time, guidance commands can be intelligently adjusted to recover system stability and the performance of a full-order vehicle model, even in the event of effector failures. Furthermore, the reduced-order performance model requires a fraction of the computational cost of the full-order model, facilitating real-time use of adaptive, optimal guidance.

Differential dynamic programming↗

Trajectory Planning and Online Performance Model Estimation for Advanced Air Mobility

We propose a framework for adaptive guidance based on optimal control and estimation using closed-loop performance models. In the proposed approach, parameters of a reduced-order performance model are estimated in real time so that trajectories and guidance commands are replanned with more accurate knowledge of the system's response and performance capabilities. To apply this methodology to flight control systems, we introduce a simple yet expressive performance model modified from a reference linear design model. The proposed framework is applied to guidance of a simulated Advanced Air Mobility class concept aircraft experiencing control effector failures. We demonstrate that, by optimizing performance model parameters in real time, guidance commands can be intelligently adjusted to recover system stability and the performance of a full-order vehicle model, even in the event of effector failures. Furthermore, the reduced-order performance model requires a fraction of the computational cost of the full-order model, facilitating real-time use of adaptive, optimal guidance.

Differential dynamic programming↗

From PINNs to PIKANs: recent advances in physics-informed machine learning

Physics-Informed Neural Networks (PINNs) have emerged as a key tool in Scientific Machine Learning since their introduction in 2017, enabling the efficient solution of ordinary and partial differential equations using sparse measurements. Over the past few years, significant advancements have been made in the training and optimization of PINNs, covering aspects such as network architectures, adaptive refinement, domain decomposition, and the use of adaptive weights and activation functions. A notable recent development is the Physics-Informed Kolmogorov-Arnold Networks (PIKANS), which leverage a representation model originally proposed by Kolmogorov in 1957, offering a promising alternative to traditional PINNs. In this review, we provide a comprehensive overview of the latest advancements in PINNs, focusing on improvements in network design, feature expansion, optimization techniques, uncertainty quantification, and theoretical insights. We also survey key applications across a range of fields, including biomedicine, fluid and solid mechanics, geophysics, dynamical systems, heat transfer, chemical engineering, and beyond. Lastly, we review computational frameworks and software tools developed by both academia and industry to support PINN research and applications.

Kolmogorov-Arnold networks↗

Integrated Strategies for Overcoming Resolution Limits in Electron Beam Lithography of Chemically Amplified Resists

Electron beam lithography (EBL) of chemically amplified resists (CARs) faces fundamental challenges, including stochastic electron scattering and acid diffusion, that limit resolution and reproducibility. Using SU-8 as a model CAR, this study systematically investigated complementary strategies to address these challenges, combining multipass exposure, proximity effect correction (PEC) with midrange correction factors, base quencher incorporation, and post-exposure bake (PEB) suppression. Monte Carlo simulations and calibrated PEC modeling revealed that extending the point spread function to include a midrange scattering component significantly improved critical dimension (CD) control across varying pattern densities, correcting deviations that conventional two-term PEC failed to capture. Multipass exposure, particularly 4-pass writing with a 25% offset, redistributed the dose to average stochastic beam and scattering fluctuations, reducing line-width roughness by more than 50% and yielding more uniform nanoscale features. Photoacid confinement was investigated by adding urea as a base quencher, which successfully reduced acid diffusion but introduced substantial sensitivity penalties without improving ultimate resolution or Z-factor performance, underscoring the trade-offs of chemical versus physical confinement. Suppressing PEB most directly minimized acid diffusion, resulting in improved Z-factors and reproducible 30 nm half-pitch dense line/space patterns. Overall, these results demonstrated that PEC with midrange correction, multipass strategies, quencher additives, and PEB-free processing addresses different aspects of the EBL process window and that their integration provides a comprehensive framework for managing stochastic scattering, diffusion, and chemical amplification effects. This framework advances dense nanoscale patterning in CARs and establishes guiding principles for optimizing resist design and process strategies in high-resolution EBL and potentially other advanced lithographies, such as extreme ultraviolet (EUV) lithography.

36 MATERIALS SCIENCE↗

Minimizing life cycle cost for subsonic commercial aircraft

A methodology is presented which facilitates the identification of that aircraft design concept which will incur the lowest life-cycle costs (LCCs) while meeting mission requirements. The methodology consists of an LCC module whose constituent elements calculate the costs associated with R&D, testing, evaluation, and production, as well as direct and indirect operating costs, in conjunction with the 'Flight Optimization System' conceptual design/analysis code. Provision is made in the methodology for sensitivities to advanced technologies for the subsonic commercial aircraft in question, which are optimized with respect to minimum gross weight, fuel consumption, acquisition cost, and direct operating cost.

Johnson, Vicki S.↗

Predicting Initial Trans-Membrane Pressure for Optimized Operations in UF Unit Using Random Forest

With the growing scarcity of freshwater, innovative process design mechanisms like Reverse Osmosis (RO) are increasingly gaining attention among water treatment utilities to address the rising demand. Ensuring reliable water production necessitates efficient resource utilization, minimizing downtime in (ultra-filtration) UF systems. Recent advancements in machine learning (ML) have enabled the development of accurate data-driven models for Model Predictive Control (MPC), often requiring minimal prior knowledge of underlying physical processes. In this study, we present predictive regression models based on Random Forest (RF) and Auto-Regressive (AR) approaches to forecast the initial Trans-Membrane Pressure (TMP) for each filtration cycle in data generated by Direct Potable Reuse (DPR) systems. The proposed RF-based model demonstrates superior performance compared to baseline methods, including historical mean, Last Observation Carried Forward (LOCF), and naïve AR models, across various forecasting horizons in terms of root mean square error (RMSE) metric. To evaluate how different classes of process variables contribute to TMP dynamics over time, we examine the feature importance of independent covariates across multiple forecast horizons. This analysis provides insight into the temporal relevance of operational and sensor-derived features, guiding control and monitoring strategies. Additionally, the impact of hyperparameter tuning on TMP prediction performance is studied for both direct and recursive RF modelling approaches across increasing forecast horizons. Accurate prediction of initial TMP is critical for optimizing RO operations, as it enables the development of robust modelling frameworks by accurately estimating membrane fouling trends, thereby enhancing process efficiency and long-term reliability. The demonstrated efficacy of the RF-based approach highlights its potential as a tool for real-time decision-making in water treatment systems, paving the way for advanced process optimization and sustainable water resource management.

Mukherjee, Subrata [ORNL] (ORCID:0000000309930338)↗

Nuclear Power Fault Diagnostics and Preventative Maintenance Optimization

Operation and maintenance costs for nuclear power plants are very large. Reactors are starting to shut down even after their operating licenses have been extended, because they are not price competitive compared to other energy sources. The nuclear industry is witnessing early closure of nuclear power plants due to economic reasons despite excellent safety records. Therefore, it is imperative to reduce costs to prevent these early closures. This paper showcases recent research into advanced fault diagnostics techniques and preventative maintenance optimization to reduce these maintenance costs. This report focuses on the condensate and feedwater system for both pressurized and boiling water reactor systems. The computerized maintenance management system, which contains the plant’s digital record of all the corrective- and preventative-maintenance work orders, was used as a ground truth to locate potential faults and label the process data as healthy or faulty. Various feature extraction techniques were utilized to further differentiate the faults from the healthy data. Support vectors machines were used to categorize other test sets of process data as healthy or faulty through a cross validation procedure. Similar faults were not found within this system leading to preventative maintenance optimization. Unnecessary amounts of preventative maintenance lead to inflated maintenance costs. This paper summarizes the steps for preventative maintenance optimization from component health determination to recommendation for action. This optimization was completed for condensate pumps, condensate booster pumps, and the respective motors that drive them.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

The IDAES process modeling framework and model library—Flexibility for process simulation and optimization

Abstract Energy systems and manufacturing processes of the 21st century are becoming increasingly dynamic and interconnected, which require new capabilities to effectively model and optimize their design and operations. Such next generation computational tools must leverage state‐of‐the‐art techniques in optimization and be able to rapidly incorporate new advances. To address these requirements, we have developed the Institute for the Design of Advanced Energy Systems (IDAES) Integrated Platform, which builds on the strengths of both process simulators (model libraries) and algebraic modeling languages (advanced solvers). This paper specifically presents the IDAES Core Modeling Framework (IDAES‐CMF), along with a case study demonstrating the application of the framework to solve process optimization problems. Capabilities provided by this framework include a flexible, modifiable, open‐source platform for optimization of process flowsheets utilizing state‐of‐the‐art solvers and solution techniques, fully open and extensible libraries of dynamic unit operations models and thermophysical property models, and integrated support for superstructure‐based conceptual design and optimization under uncertainty.

42 ENGINEERING↗

High-Temperature Multi-Process Sensor Development and Demonstration at a Full-scale PC Combustion System

The main objective of this research program is to design, manufacture, and demonstrate a miniaturized, multi-process, monitoring system (mMPMS) for boiler condition management and easy system deployment to obtain a higher spatial resolution of wall conditions in utility boilers. This system will facilitate a Condition-Based Maintenance (CBM) philosophy that actively monitors the health of assets to predict and prevent failures and maximize availability and generating capacity at a reduced cost. CBM systems can provide boiler data that the advanced process control (APC) system can utilize for plant performance optimization, which is increasingly relevant as coal power plants shift from predominantly base-load operation to predominantly transient operation involving large load swings. The mMPMS is based on an electrochemical sensor that provides a real-time indication of the risk of damage to key locations in the radiant or convective section of a coal-fired boiler such as metal loss rates, heat flux, metal surface temperature, and deposit thickness. These indications can be utilized to optimize boiler performance as well as improve boiler availability in conjunction with corresponding operating conditions. This monitoring system was developed and tested in the high-temperature regions of a coal-fired utility boiler in this project but can be applied to many other industries and applications as well. The new sensor design, leveraging the existing electrochemical noise-based monitoring system, is small enough to be installed through the webbing of the waterwalls without the need for long shut-downs to bend tubes and to make it feasible to obtain high spatial resolution in the boiler. Data can be transferred to the plant distributed control system (DCS) and any other control system. The sensor body that houses the sensor assembly was designed to ensure good conductive contact with boiler tubes to ensure the sensor is held at an identical temperature to the tube surface temperature. The data acquisition and signal conditioning modules were redesigned into a small footprint with optimized cooling of the module. System software was developed specifically for the new signal conditioning module and is compatible with plant PLCs. After the preliminary testing at a pilot-scale facility, five mMPMS were installed at a full-scale pulverized coal-fired plant, Basin Electric Power Cooperative’s Leland Olds Unit 1. The systems were demonstrated over a 6-week period during typical operation. Sensor measurements of deposit thickness were validated during the demonstration and subsequently leveraged to determine sensor-based boiler cleaning strategies. These strategies have the benefit of reduced thermal stresses on boiler tubes from over-cleaning and improved boiler water management. At the end of the project, continued development of the sensor technology was carried out at PacifiCorp’s Hunter Station. REI leveraged the permanent installation of the mMPMS in Unit 3 made possible by DOE funding on a separate program. The work at Hunter Plant focused on application of machine learning and artificial intelligence-based models for integration of sensor signals into control and optimization of Hunter Unit 3 processes.

Advanced Sensors, Corrosion, Ash Deposition, Optim↗

Artificial Intelligence-Driven Management of Sustainable Energy Resources: Visibility, Operation, and Control

The rapid global transition toward sustainable energy resources (SERs) is reshaping how modern power systems are observed, optimized, and controlled. While SERs have significantly advanced decarbonization, their weather dependence, variability, and inverter-dominated characteristics challenge traditional, centralized, and deterministic grid operation. At the same time, the proliferation of high-resolution data from inverters, smart meters, and sensors offers unprecedented visibility into system dynamics. Yet, it also exceeds the analytical capability of conventional model-based approaches. Artificial intelligence (AI) provides a new foundation for addressing these challenges by bridging physical laws with data-driven learning, enabling accurate state awareness, adaptive operation, and coordinated control across distributed assets. This article examines how AI transforms the management of SER-rich power systems along three critical dimensions: 1) enhancing visibility by inferring behind-the-meter (BTM) activities, assessing SER flexibility, and reconstructing system states from sparse or noisy measurements; 2) improving operation through AI-enhanced SER service provision, volt/var control (VVC), and dynamic operating envelopes (DOE) for efficiency and security; and 3) advancing control by embedding learning-based intelligence into inverter coordination, voltage and frequency regulation, and long-term dispatch. Together, these developments reveal how AI can convert the variability of SERs from an operational challenge into a source of flexibility, resilience, and intelligence, paving the way toward sustainable, adaptive, and self-optimizing power systems.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Overview of Fluid Dynamics Activities at the Marshall Space Flight Center

Since its inception 40 years ago, Marshall Space Flight Center (MSFC) has had the need to maintain and advance state-of-the-art flow analysis and cold-flow testing capability to support its roles and missions. This overview discusses the recent organizational changes that have occurred at MSFC with emphasis on the resulting three groups that form the core of fluid dynamics expertise at MSFC: the Fluid Physics and Dynamics Group, the Applied Fluid Dynamics Analysis Group, and the Experimental Fluid Dynamics Group. Recently completed activities discussed include the analysis and flow testing in support of the Fastrac engine design, the X-33 vehicle design, and the X34 propulsion system design. Ongoing activities include support of the RLV vehicle design, Liquid Fly Back Booster aerodynamic configuration definition, and RLV focused technologies development. Other ongoing activities discussed are efforts sponsored by the Center Director's Discretionary Fund (CDDF) to develop an advanced incompressible flow code and to develop optimization techniques. Recently initiated programs and their anticipated required fluid dynamics support are discussed. Based on recent experiences and on the anticipated program needs, required analytical and experimental technique improvements are presented. Due to anticipated budgetary constraints, there is a strong need to leverage activities and to pursue teaming arrangements in order to advance the state-of-the-art and to adequately support concept development. Throughout this overview there is discussion of the lessons learned and of the capabilities demonstrated and established in support of the hardware development programs.

Garcia, Roberto↗

MO-G-18A-01: Radiation Dose Reducing Strategies in CT, Fluoroscopy and Radiography

Advances in medical x-ray imaging have provided significant benefits to patient care. According to NCRP 160, there are more than 400 million x-ray procedures performed annually in the United States alone that contributes to nearly half of all the radiation exposure to the US population. Similar growth trends in medical x-ray imaging are observed worldwide. Apparent increase in number of medical x-ray imaging procedures, new protocols and the associated radiation dose and risk has drawn considerable attention. This has led to a number of technological innovations such as tube current modulation, iterative reconstruction algorithms, dose alerts, dose displays, flat panel digital detectors, high efficient digital detectors, storage phosphor radiography, variable filters, etc. that are enabling users to acquire medical x-ray images at a much lower radiation dose. Along with these, there are number of radiation dose optimization strategies that users can adapt to effectively lower radiation dose in medical x-ray procedures. The main objectives of this SAM course are to provide information and how to implement the various radiation dose optimization strategies in CT, Fluoroscopy and Radiography. Learning Objectives: To update impact of technological advances on dose optimization in medical imaging. To identify radiation optimization strategies in computed tomography. To describe strategies for configuring fluoroscopic equipment that yields optimal images at reasonable radiation dose. To assess ways to configure digital radiography systems and recommend ways to improve image quality at optimal dose.

60 APPLIED LIFE SCIENCES↗

Nuclear Power Fault Diagnostics and Preventative Maintenance Optimization

The nuclear industry is beginning to see reactors shut down—even after their operating licenses have been extended—because they are not economically competitive with other energy sources. These early closures happen primarily due to economic reasons, despite excellent safety records. Therefore, it is imperative to reduce costs in order to prevent these early closures. One of the contributors to these economic reasons is the large operations and maintenance costs. This paper showcases recent research on advanced fault diagnostics techniques and preventative maintenance optimization (PMO) for reducing NPP maintenance costs. Specifically, it focuses on the feedwater and condensate system (FWCS) for both pressurized- and boiling-water reactor (BWR) systems. The computerized maintenance management system (CMMS), which contains the plant’s digital record of all corrective maintenance (CM) and preventative maintenance (PM) work orders, provided the ground truth for locating potential faults and labeling the process data as either healthy or faulted. Various feature extraction techniques were used to further differentiate the faulted data from the healthy data. Through a cross-validation procedure, support vectors machines were used to label other test sets of process data as either healthy or faulted. With relatively few faults identified in the BWR system, the potential for PMO opens up, since an unnecessary amount of PM leads to inflated maintenance costs. The steps for PMO are summarized, from component health determinations to recommendations for action. An example of PMO assessment is presented for condensate pumps, condensate booster pumps, and the respective motors that drive them.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Proposed design and optimization of a higher harmonic cavity for ALS-U

Higher harmonic cavities (HHCs), also known as Landau cavities, have been proposed to increase the beam lifetime and Landau damping by lengthening the bunch and increasing the synchrotron tune spread. Here, we present an optimized 1.5 GHz normal conducting HHC design for the Advanced Light Source Upgrade project at Lawrence Berkeley National Lab with a superconducting-like geometry for lower R/Q. The optimization goal is to reach the required shunt impedance while maintaining a relatively high Q value of the cavities. A multi-objective genetic algorithm (MOGA)-based optimization process is applied to optimize the radio frequency (RF) design. This study serves as an example of how a genetic algorithm can be used to optimize RF cavities. Detailed exploration and characterization of the MOGA-based RF cavity optimization have been demonstrated from the aspects of minimizing the coupled bunch instabilities and analyzing the higher-order modes and the corresponding impedance of the HHC.

Feng, H. (ORCID:0000000319392692)↗

Toward an optimal online checkpoint solution under a two-level HPC checkpoint model

The traditional single-level checkpointing method suffers from significant overhead on large-scale platforms. Hence, multilevel checkpointing protocols have been studied extensively in recent years. The multilevel checkpoint approach allows different levels of checkpoints to be set (each with different checkpoint overheads and recovery abilities), in order to further improve the fault tolerance performance of extreme-scale HPC applications. How to optimize the checkpoint intervals for each level, however, is an extremely difficult problem. In this paper, we construct an easy-to-use two-level checkpoint model. Checkpoint level 1 deals with errors with low checkpoint/recovery overheads such as transient memory errors, while checkpoint level 2 deals with hardware crashes such as node failures. Compared with previous optimization work, our new optimal checkpoint solution offers two improvements: (1) it is an online solution without requiring knowledge of the job length in advance, and (2) it shows that periodic patterns are optimal and determines the best pattern. We evaluate the proposed solution and compare it with the most up-to-date related approaches on an extreme-scale simulation testbed constructed based on a real HPC application execution. Simulation results show that our proposed solution outperforms other optimized solutions and can improve the performance significantly in some cases. Specifically, with the new solution the wall-clock time can be reduced by up to 25.3% over that of other state-of-the-art approaches. Lastly, a brute-force comparison with all possible patterns shows that our solution is always within 1% of the best pattern in the experiments.

97 MATHEMATICS AND COMPUTING↗

Nuclear Power Fault Diagnostics and Preventative Maintenance Optimization NPIC presentation

The nuclear industry is beginning to see reactors shut down—even after their operating licenses have been extended—because they are not economically competitive with other energy sources. These early closures happen primarily due to economic reasons, despite excellent safety records. Therefore, it is imperative to reduce costs in order to prevent these early closures. One of the contributors to these economic reasons is the large operations and maintenance costs. This paper showcases recent research on advanced fault diagnostics techniques and preventative maintenance optimization (PMO) for reducing NPP maintenance costs. Specifically, it focuses on the feedwater and condensate system (FWCS) for both pressurized- and boiling-water reactor (BWR) systems. The computerized maintenance management system (CMMS), which contains the plant’s digital record of all corrective maintenance (CM) and preventative maintenance (PM) work orders, provided the ground truth for locating potential faults and labeling the process data as either healthy or faulted. Various feature extraction techniques were used to further differentiate the faulted data from the healthy data. Through a cross-validation procedure, support vectors machines were used to label other test sets of process data as either healthy or faulted. With relatively few faults identified in the BWR system, the potential for PMO opens up, since an unnecessary amount of PM leads to inflated maintenance costs. The steps for PMO are summarized, from component health determinations to recommendations for action. An example of PMO assessment is presented for condensate pumps, condensate booster pumps, and the respective motors that drive them.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗