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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 37 records · Page 2

Resilient information and inference networks under mixed-trust sensing

With ubiquitous digitization, sensing, and computational intelligence deployed in increasingly more and broader domains, including critical infrastructure, potentially misleading and destabilizing effects of multimodal anomalies and adversarial behavior are growing in importance. Here, we develop randomized and reinforcement learning-based strategies for strategically recruiting and utilizing deployed (and, thus, vulnerable and potentially faulty and/or compromised) nodes from information and inference networks, while defending against adversaries that attempt to misguide assessments of inferred variables. Recognizing that, besides communication and other costs, sampling from any observable node can either provide true data or dangerously expose our inference to misinformation (without being easily distinguishable what actually happens), the proposed strategies proceed by progressively recruiting nodes and cautiously scaling their information contribution based on assumed, or, in our reinforcement learning approach, intelligently weighed trustworthiness, with the learning approach also considering network-wide, threat-inclusive risk/value tradeoffs. While avoiding the hardware, communication, analytical and computational burden of explicit redundancy, the proposed defensive schemes enable on-the-fly assessments of underlying processes, and system-wide situational awareness with demonstrable resilience against adversarial activities.

97 - MATHEMATICS AND COMPUTING↗

Transforming Energy Through Computational Excellence: Artificial Intelligence and Machine Learning

The National Renewable Energy Laboratory's (NREL's) expertise accelerates a decarbonized energy economy through the most advanced computational techniques, including artificial intelligence (AI) and Machine Learning (ML). AI is the simulation of human intelligence processes by machines, while ML encompasses the study of computer algorithms to imitate the way humans learn.

97 MATHEMATICS AND COMPUTING↗

Regulators’ Financial Toolbox: Leveraging Software as a Service, Cloud Computing, and Artificial Intelligence in Electric Utilities

The rapid evolution of Software as a Service (SaaS), cloud computing, and artificial intelligence (AI) is transforming the electric utility industry, reshaping operations, customer engagement, and financial models. This webinar introduced how utilities can deploy advanced software solutions and AI-driven analytics to improve grid efficiency, optimize asset management, and accurately forecast demand.

Bartlett, Phillip↗

Active and machine learning-based approaches to rapidly enhance microbial chemical production

In order to make renewable fuels and chemicals from microbes, new methods are required to engineer microbes more intelligently. Computational approaches, to engineer strains for enhanced chemical production typically rely on detailed mechanistic models (e.g., kinetic/stoichiometric models of metabolism)—requiring many experimental datasets for their parameterization—while experimental methods may require screening large mutant libraries to explore the design space for the few mutants with desired behaviors. To address these limitations, we developed an active and machine learning approach (ActiveOpt) to intelligently guide experiments to arrive at an optimal phenotype with minimal measured datasets. In this study, ActiveOpt was applied to two separate case studies to evaluate its potential to increase valine yields and neurosporene productivity in Escherichia coli. In both the cases, ActiveOpt identified the best performing strain in fewer experiments than the case studies used. This work demonstrates that machine and active learning approaches have the potential to greatly facilitate metabolic engineering efforts to rapidly achieve its objectives.

60 APPLIED LIFE SCIENCES↗

High-performance computing leadership to enable advances in artificial intelligence and a thriving compute ecosystem

The past three decades have witnessed the widespread adoption of high-performance computing (HPC) as an essential tool in the advancement of science. From accelerating critical research in the wake of a global pandemic to climate modelling and national security, HPC has become integral to the most cutting-edge scientific research around the world and across application domains. The global competition to debut the next fastest supercomputer keeps pushing the field forward. Meanwhile, increasing capabilities are bringing hallmarks of science fiction, such as artificial intelligence (AI), into daily life. However, the tremendous power of new computing systems comes with an increased concern about equitable access to these resources and their impact on supporting a thriving workforce.

Tourassi, Georgia↗

Revolutionizing Energy Storage: AI, Automation, and Advanced Modeling as Catalysts for Next-Generation Breakthroughs

The Presidential Symposium (PRES) at the 2025 Fall Meeting, hosted by the President’s Office and Energy and Fuels Division, American Chemical Society (ACS) in Washington, DC, brought together a diverse group of chemists, engineers, and materials scientists working in battery materials & systems, automation and artificial intelligence from academia, industry, and national laboratories. The accelerating demand for high-performance, scalable, and sustainable energy storage has catalyzed a paradigm shift in how materials are dis-covered, devices are engineered, and systems are optimized. This Presidential Symposium, entitled “Revolutionizing Energy Storage: AI, Automation, and Advanced Modeling Driving Next-Gen Breakthroughs”, brings together global leaders to unveil transformative strategies anchored in the AAA framework: Artificial Intelligence, Automation, and Advanced Modeling. Artificial Intelligence is redefining the frontiers of energy storage by enabling predictive design, real-time optimization, and intelligent control across diverse chemistries and architectures. Automation is streamlining the synthesis, characterization, and testing of battery materials, dramatically accelerating innovation cycles and unlocking scalable solutions for grid and mobility applications. Advanced Modeling, spanning atomic to system-level scales, provides unprecedented insight into electrochemical dynamics, degradation pathways, and thermal behavior, particularly when coupled with physics-informed machine learning and digital twin technologies. Digital twins, in turn, leverage the AAA framework by integrating real-time data, physics-based models, and AI predictions into dynamic virtual replicas, enabling proactive diagnostics, optimization, and system resilience. Together, these synergistic pillars are not only re-shaping the scientific landscape but also forging a new era of reproducible, data-driven, and resilient energy storage innovation. In conclusion, this symposium marks a pivotal moment in the convergence of computational intelligence and experimental rigor, charting the course for next-generation breakthroughs in lithium-ion, solid-state, and flow battery technologies.

Artificial Intelligence (AI)↗

Application of Selected Artificial Intelligence Methods in a System Predicting the Microstructure of Compacted Graphite Iron

Intelligent computing tools such as artificial neural network and fuzzy logic are used as predictive modeling tools. The use of these methods, combined with model experimental results, may be an excellent predictive tool, allowing us to forecast the microstructure of the tested cast iron at the level of computer simulation. In this study, the reference training cases collected in one database were used to determine the parameters of the neuro-fuzzy ANFIS model. They mainly include the results of observations and measurements of the content of individual microstructural constituents of the compacted graphite iron, examined as a function of the content of individual alloy additives (molybdenum, nickel and copper introduced in various proportions). The training process of such a fuzzy inference system is done by constantly changing its parameters (parameters of the membership function) and determining new rule conclusions as a result of presenting individual case examples from the training sample. The conducted research has shown the possibility of applying the ANFIS model as a tool to control the chemical composition of compacted graphite iron in the production of castings with high-strength parameters.

36 MATERIALS SCIENCE↗

Data‐driven variational method for discrepancy modeling: Dynamics with small‐strain nonlinear elasticity and viscoelasticity

Abstract The effective inclusion of a priori knowledge when embedding known data in physics‐based models of dynamical systems can ensure that the reconstructed model respects physical principles, while simultaneously improving the accuracy of the solution in the previously unseen regions of state space. This paper presents a physics‐constrained data‐driven discrepancy modeling method that variationally embeds known data in the modeling framework. The hierarchical structure of the method yields fine scale variational equations that facilitate the derivation of residuals which are comprised of the first‐principles theory and sensor‐based data from the dynamical system. The embedding of the sensor data via residual terms leads to discrepancy‐informed closure models that yield a method which is driven not only by boundary and initial conditions, but also by measurements that are taken at only a few observation points in the target system. Specifically, the data‐embedding term serves as residual‐based least‐squares loss function, thus retaining variational consistency. Another important relation arises from the interpretation of the stabilization tensor as a kernel function, thereby incorporating a priori knowledge of the problem and adding computational intelligence to the modeling framework. Numerical test cases show that when known data is taken into account, the data driven variational (DDV) method can correctly predict the system response in the presence of several types of discrepancies. Specifically, the damped solution and correct energy time histories are recovered by including known data in the undamped situation. Morlet wavelet analyses reveal that the surrogate problem with embedded data recovers the fundamental frequency band of the target system. The enhanced stability and accuracy of the DDV method is manifested via reconstructed displacement and velocity fields that yield time histories of strain and kinetic energies which match the target systems. The proposed DDV method also serves as a procedure for restoring eigenvalues and eigenvectors of a deficient dynamical system when known data is taken into account, as shown in the numerical test cases presented here.

Masud, Arif↗

ANN-based correlation for frictional pressure drop of non-azeotropic mixtures during cryogenic forced boiling

A crucial aspect of Joule-Thomson cryocooler analysis and optimization is the accurate estimation of frictional pressure drop. This paper presents a pressure drop model for boiling of non-azeotropic mixtures of nitrogen with hydrocarbons (e.g., methane, ethane, and propane) in microchannels. These refrigerant mixtures are important for their applicability in natural gas liquefaction plants. Here, the pressure drop model is based on computational intelligence techniques, and its performance is evaluated with the mean relative error (mre), and compared with three correlations previously selected as most accurate: Awad and Muzychka; Sun and Mishima; and Cicchitti et al.

42 ENGINEERING↗

Application of automated measurement and verification to utility energy efficiency program data

Trustworthy savings calculations are critical to convincing regulators of both the cost-effectiveness of energy efficiency program investments and their ability to defer supply-side capital investments. Today’s methods for measurement and verification (M&V) of energy savings constitute a significant portion of the total costs of energy efficiency programs. They also require time-consuming data acquisition. A spectrum of savings calculation approaches is used, with some relying more heavily on measured data and others relying more heavily on estimated, modeled, or stipulated data. The increasing availability of “smart” meters and devices that report near-real time data, combined with new analytical approaches to quantify savings, offers the potential to conduct M&V more quickly and at lower cost, with comparable or improved accuracy. Commercial energy management and information systems (EMIS) technologies are beginning to offer these ‘M&V 2.0’ capabilities, and program administrators want to understand how they might assist programs in quickly and accurately measuring energy savings. This paper presents the results of recent testing of the ability to use automation to streamline the M&V process. In this paper, we apply an automated whole-building M&V tool to historic data sets from energy efficiency programs to begin to explore the accuracy, cost, and time trade-offs between more traditional M&V, and these emerging streamlined methods that use high-resolution energy data and automated computational intelligence. For the data sets studied we evaluate the fraction of buildings that are well suited to automated baseline characterization, the uncertainty in gross savings that is due to M&V 2.0 tools’ model error, and indications of labor time savings, and how the automated savings results compare to prior, traditionally determined savings results. The results show that 70% of the buildings were well suited to the automated approach. In a majority of the cases (80%) savings and uncertainties for each individual building were quantified to levels above the criteria in ASHRAE Guideline 14. In addition the findings suggest that M&V 2.0 methods may also offer time-savings relative to traditional approaches. Lastly, we discuss the implications of these findings relative to the potential evolution of M&V, and pilots currently being launched to test how M&V automation can be integrated into ratepayer-funded programs and professional implementation and evaluation practice.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

A Comparison of Electronic Structure Methods for Predicting the Hydrogenation Energies of Candidate Molecules for Hydrogen Storage

The development of novel energy materials and fuels is required to expand current available energy sources. Aiming to reach this goal, there is growing interest in using molecular hydrogen as an energy carrier due to its abundance and high energy density. Liquid organic hydrogen carriers (LOHCs) are a promising route to the large-scale storage and transport of hydrogen for use in the energy economy. The search for thermodynamically viable LOHC molecules for real world use has led to a set of constraints on the dehydrogenation enthalpy and the minimum gravimetric hydrogen capacity. These constraints allow one to formulate the search for an ideal LOHC candidate molecule as an optimization problem well suited to the strengths of machine learning and artificial intelligence computational approaches. A critical barrier to a large-scale, high-throughput screening of LOHC candidate molecules is the lack of reliable training data. Computational electronic structure methods including density functional theory, coupled cluster approximations, and diffusion Monte Carlo can be used to provide training data where experimental data are either unreliable or do not exist. In this work, we use these methods to calculate the dehydrogenation energies and enthalpies of candidate LOHC molecules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Solution techniques for transient stability‐constrained optimal power flow – Part I

This series of studies present the state‐of‐the‐art for the solution of the transient stability constrained optimal power flow problem (TSC‐OPF). Three different classes of solution techniques: dynamic optimisation‐based, SIME method, and computational intelligence, are discussed in detail. Moreover, discussed are issues to consider while solving such problems, various application areas, and future directions in this research area. A comprehensive resource of the available literature, publicly available test systems, and relevant numerical libraries is also provided. This study presents the TSC‐OPF formulation and discusses various dynamic optimisation‐based approaches. Two optimisation techniques, full‐space and reduced‐space method, are presented for solving the resulting non‐linear optimisation problem.

Abhyankar, Shrirang↗

Solution techniques for transient stability-constrained optimal power flow – Part II

Transient stability-constrained optimal power flow is an important emerging problem with power systems pushed to the limits for economic benefits, dense and larger interconnected systems, and reduced inertia due to expected proliferation of renewable energy resources. In this study, two more approaches: single machine equivalent and computational intelligence are presented. Also discussed are various application areas, and future directions in this research area. In conclusion, a comprehensive resource for the available literature, publicly available test systems, and relevant numerical libraries is also provided.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Targeted Energy Management System Toolset

TEMST integrates advanced sensor systems with advanced computational intelligence, e.g. neural networks and fuzzy arithmetic, to enable effective energy management while minimizing negative human comfort consequences and promoting improved occupant satisfaction. Preliminary work suggests that energy cost reductions above ten percent are easily achievable. In addition to optimizing existing Energy Management Systems (EMS), the proposed toolset will be both resilient and secure in order to proactively maintain a safe level of operational normalcy in response to anomalies and malicious actions.

Rieger, CraigG.↗

Resilient Control System Execution Agent (ReCoSEA)

In an increasingly networked world, critical infrastructure systems suffer from two types of vulnerability. The first is the traditionally recognized problem of monitoring the systems for faults and failures, recognizing and analyzing data, and responding with real understanding to the problems of the system. Increasingly complex systems create the opportunity for single points of failure to cascade when inaccurate assessment of system health increases response time or leads to faulty analysis of the problems involved. A second problem involves vulnerability to cyber intrusion, in which bad actors can mask system deterioration or present false data about system status. A resilient system will protect stability, efficiency, and security. To ensure these three states, the system must react to changing conditions within the system with coordination: no one component of the system can be allowed to react to problems without real consideration of the effects of that action on other components within the system. Systems with multi-agent design typically have three layers of action, a management layer, a coordination layer, and an execution layer. A resilient multi-agent system will emphasize functions of the execution layer, which has the responsibility of initiating actions, monitoring, analyzing, and controlling its own processes, while feeding information back to the higher levels of management and coordination. The design concept of a resilient control system execution agent (ReCoSEA) grows out of these underpinnings, and through the use of computational intelligence techniques, this paper suggests an associated design methodology.

47 OTHER INSTRUMENTATION↗

Will the Measurement Robots Take Our Jobs? An Update on the State of Automated M&V for Energy Efficiency Programs

Trustworthy savings calculations are critical to convincing regulators of both the cost-effectiveness of energy efficiency program investments and their ability to defer supply-side capital investments. Today’s methods for measurement and verification (M&V) of energy savings constitute a significant portion of the total costs of energy efficiency programs. They also require time-consuming data acquisition. A spectrum of savings calculation approaches is used, with some relying more heavily on measured data and others relying more heavily on estimated, modeled, or stipulated data. The rising availability of “smart” meters and devices that report near-real time data, combined with new analytical approaches to quantifying savings, offers potential to conduct M&V more quickly and at lower cost, with comparable or improved accuracy. Commercial energy management and information systems (EMIS) technologies are beginning to offer M&V capabilities, and program administrators want to understand how they might assist programs in quickly and accurately measuring energy savings. This paper presents the results of recent testing of the ability to use automation to streamline some parts of M&V. Here in this paper, we detail metrics to assess the performance of these new M&V approaches, and a framework to compute the metrics. We also discuss the accuracy, cost, and time trade-offs between more traditional M&V, and these emerging streamlined methods that use high-resolution energy data and automated computational intelligence. Finally we discuss the potential evolution of M&V and early results of pilots currently underway to incorporate M&V automation into ratepayer-funded programs and professional implementation and evaluation practice.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Augmented Reality for Managing Nuclear Infrastructure and Operations - 19605

Emerging augmented reality tools offer great promise for helping manage nuclear infrastructure throughout its life cycle. These tools have the ability to provide operators with actionable holographic information as they work. Perhaps more excitingly these tools also feature sensors that provide the ability to document work at very high spatial resolution. These sensors include onboard cameras as well as active infrared sensors that can capture 3D geometry information on-the-fly. Coupling the visualization and sensing tools provided by augmented reality headsets with computational intelligence opens up many exciting new possibilities for managing nuclear infrastructure throughout its life cycle. In this presentation we show a number of examples of how augmented reality tools can be incorporated into the management of nuclear infrastructure. We show examples of using augmented reality as a human-machine interface for robotic control, and we show examples of augmented reality being interfaced with external sensors. Finally, we show how these sensing and visualization capabilities of augmented reality can be interfaced with intelligent algorithms to help operators perform their work in nuclear facilities. The goal of the work is to spark discussions on how emerging augmented reality tools can help enable the next generation of efficient, high-performance nuclear infrastructure. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Reimagining metal-organic framework discovery: Integrating experiment, computation, and artificial intelligence

The traditional development of novel metal–organic frameworks (MOFs) is often hindered by challenges such as synthetic accessibility and time- and resource-intensive experimentation. High-throughput, automated experimental and computational techniques have enabled rapid chemical space exploration and theoretical MOF design. When combined with artificial intelligence (AI), these methods can be used to lead autonomous laboratories to new frontiers for MOF discovery, where these materials can be designed for a specific application, efficiently synthesized, characterized, and evaluated. Here, this perspective highlights the role of AI in advancing automated MOF synthesis and characterization, computational MOF design and screening, and the integration of these approaches within autonomous workflows to ultimately enable the MOF laboratories of the future.

Gaidimas, Madeleine A. [Northwestern University, E↗