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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 433 records · Page 24

Impact of Increased Inverter Penetration on Power System Small-Signal Stability: Preprint

The transformation of the power system to include more distributed energy resources (DER) implies an increase in the number of inverter-based resources deployed on the grid. Envisioning future scenarios, this paper presents a small-signal stability analysis for a power grid comprising synchronous generators and inverter-based resources. Three types of inverter control are considered: grid following, droop-controlled grid forming, and virtual oscillator control grid forming. Although small-signal stability of power systems is a widely studied topic, systematic analysis of mixed machine-inverter systems with detailed control models at various inverter penetration levels are limited. This paper addresses the gap with numerical simulations tailored to the IEEE 39-bus system. Results show the system may become unstable at high inverter penetration level of grid-following inverters, and grid-forming inverter control can potentially improve system stability, thereby enabling very high level of DERs.

41 EE - Solar Energy Technologies Office (EE-4S)↗

Encoding integers and rationals on neuromorphic computers using virtual neuron

Abstract Neuromorphic computers emulate the human brain while being extremely power efficient for computing tasks. In fact, they are poised to be critical for energy-efficient computing in the future. Neuromorphic computers are primarily used in spiking neural network–based machine learning applications. However, they are known to be Turing-complete, and in theory can perform all general-purpose computation. One of the biggest bottlenecks in realizing general-purpose computations on neuromorphic computers today is the inability to efficiently encode data on the neuromorphic computers. To fully realize the potential of neuromorphic computers for energy-efficient general-purpose computing, efficient mechanisms must be devised for encoding numbers. Current encoding mechanisms (e.g., binning, rate-based encoding, and time-based encoding) have limited applicability and are not suited for general-purpose computation. In this paper, we present the virtual neuron abstraction as a mechanism for encoding and adding integers and rational numbers by using spiking neural network primitives. We evaluate the performance of the virtual neuron on physical and simulated neuromorphic hardware. We estimate that the virtual neuron could perform an addition operation using just 23 nJ of energy on average with a mixed-signal, memristor-based neuromorphic processor. We also demonstrate the utility of the virtual neuron by using it in some of the μ -recursive functions, which are the building blocks of general-purpose computation.

97 MATHEMATICS AND COMPUTING↗

Design of machine learning models with domain experts for automated sensor selection for energy fault detection

Data-driven techniques that extract insights from sensor data reduce the cost of improving system energy performance through fault detection and system health monitoring. To lower cost barriers to widespread deployment, a methodology is proposed that takes advantage of existing sensor data, encodes expert knowledge about the application system to create ‘virtual sensors’ and applies statistical and mathematical methods to reduce the time required for manual configurations. The approach combines sensor data points with encoded expert knowledge that is generic to the application system but independent of a particular deployment, thereby reducing the need to tailor to individual deployments. Additionally, this paper not only presents a method that detects faults from measured energy data, but also (1) describes an engagement method with experts in the energy system domain to identify data, (2) integrates domain knowledge with the data, (3) automatically selects from among the large pool of potential input data, and (4) uses machine learning to automatically build a data-driven fault detection model. Demonstration on a commercial building chiller plant shows that only a small number of virtual sensors is necessary for fault detection with high accuracy rates. This corresponds to the use of only five out of 52 original sensor data points features. With as few as four features, classification F1 scores exceed 90% on the training set and 80% on the testing set. The results are implementable and realizable using off-the-shelf tools. The goal is to design with domain experts an energy monitoring system that can be configured once and then widely deployed with little additional cost or effort.

47 OTHER INSTRUMENTATION↗

Machine Learning-enabled Scalable Performance Prediction of Scientific Codes

Hardware architectures become increasingly complex as the compute capabilities grow to exascale. Here, we present the Analytical Memory Model with Pipelines (AMMP) of the Performance Prediction Toolkit (PPT). PPT-AMMP takes high-level source code and hardware architecture parameters as input and predicts runtime of that code on the target hardware platform, which is defined in the input parameters. PPT-AMMP transforms the code to an (architecture-independent) intermediate representation, then (i) analyzes the basic block structure of the code, (ii) processes architecture-independent virtual memory access patterns that it uses to build memory reuse distance distribution models for each basic block, and (iii) runs detailed basic-block level simulations to determine hardware pipeline usage. PPT-AMMP uses machine learning and regression techniques to build the prediction models based on small instances of the input code, then integrates into a higher-order discrete-event simulation model of PPT running on Simian PDES engine. We validate PPT-AMMP on four standard computational physics benchmarks and present a use case of hardware parameter sensitivity analysis to identify bottleneck hardware resources on different code inputs. We further extend PPT-AMMP to predict the performance of a scientific application code, namely, the radiation transport mini-app SNAP. To this end, we analyze multi-variate regression models that accurately predict the reuse profiles and the basic block counts. We validate predicted SNAP runtimes against actual measured times.

97 MATHEMATICS AND COMPUTING↗

Virtual reality systems

Virtual realities are a type of human-computer interface (HCI) and as such may be understood from a historical perspective. In the earliest era, the computer was a very simple, straightforward machine. Interaction was human manipulation of an inanimate object, little more than the provision of an explicit instruction set to be carried out without deviation. In short, control resided with the user. In the second era of HCI, some level of intelligence and control was imparted to the system to enable a dialogue with the user. Simple context sensitive help systems are early examples, while more sophisticated expert system designs typify this era. Control was shared more equally. In this, the third era of the HCI, the constructed system emulates a particular environment, constructed with rules and knowledge about 'reality'. Control is, in part, outside the realm of the human-computer dialogue. Virtual reality systems are discussed.

Johnson, David W.↗

Neural Network Analysis of Nuclear Magnetic Resonance and Infrared Spectra

Nuclear magnetic resonance (NMR) spectroscopy and infrared (IR) spectroscopy are powerful chemical characterization techniques with broad general usage. However, the manual evaluation of the resulting spectra is time-consuming and requires significant expertise, preventing insights from being used in real-time applications. With recent advances in computation and artificial intelligence (AI), new tools are available for automating spectral interpretation. In this work, machine learning (ML) algorithms using 1-dimensional convolutional neural networks (CNNs) were applied to identify common functional groups from spectral information. Raw spectra were collected virtually from the Human Metabolome Database (HMDB) and National Institute of Standards and Technology (NIST) Chemistry WebBook and processed into a suitable standard. Algorithm design was tailored to best fit the nature of the problem, with built-in flexibility to accommodate relevant parameters beyond the raw spectral input, specifically solvent identity and magnetic frequency for NMR. The predictive capability of the algorithm in identifying functional groups is displayed in several examples. This methodology has been compiled into a code repository and could easily be modified to adapt alternative data sources, including other spectrum types. To mitigate overfitting, a common problem in mathematical modeling where overfamiliarity with training data produces trends that are not representative of the general data, a novel metric was developed, referred to as Accufit. Accufit includes a parameter that penalizes substantial differences in the training accuracy and the accuracy of an independent validation set. Examples are presented showing the effectiveness of Accufit in maintaining the model’s predictive capability while controlling the overfitting when used as a custom metric for hyperparameter tuning.

Sturgill, James↗

Adaptive autoencoder latent space tuning for more robust machine learning beyond the training set for six-dimensional phase space diagnostics of a time-varying ultrafast electron-diffraction compact accelerator

In this work, we present a general adaptive latent space tuning approach for improving the robustness of machine learning tools with respect to time variation and distribution shift. We demonstrate our approach by developing an encoder-decoder convolutional neural network-based virtual 6D phase space diagnostic of charged particle beams in the HiRES ultrafast electron diffraction (UED) compact particle accelerator with uncertainty quantification. Our method utilizes model-independent adaptive feedback to tune a low dimensional 2D latent space representation of ~1 million dimensional objects which are the 15 unique 2D projections (x, y),...,(z, p z ) of the 6D phase space (x, y, z, p x , p y , p z ) of the charged particle beams. We demonstrate our method with numerical studies of short electron bunches utilizing experimentally measured UED input beam distributions.

43 PARTICLE ACCELERATORS↗

Hypermedia = hypercommunication

New hardware and software technology gave application designers the freedom to use new realism in human computer interaction. High-quality images, motion video, stereo sound and music, speech, touch, gesture provide richer data channels between the person and the machine. Ultimately, this will lead to richer communication between people with the computer as an intermediary. The whole point of hyper-books, hyper-newspapers, virtual worlds, is to transfer the concept and relationships, the 'data structure', from the mind of creator to that of user. Some of the characteristics of this rich information channel are discussed, and some examples are presented.

Laff, Mark R.↗

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)↗

Detecting thermodynamic phase transition via explainable machine learning of photoemission spectroscopy

Identifying thermodynamic signatures of electronic phases, such as superconductivity, is challenging in low-dimensional materials due to strong fluctuations and low probing volume. Spectroscopic methods are often used to identify new bulk phases, but their main measurable quantity—electronic energy gaps—is no longer an effective order parameter in low-dimensional and fluctuating systems. Combining angle-resolved photoemission with a domain-adversarial neural network, we report a data-driven method to identify thermodynamic phase transitions solely based on single-particle spectra. We demonstrate 97.6% accuracy in cuprate superconductor Bi 2 Sr 2 CaCu 2 O 8+δ with strong superconducting fluctuations. This model notably compensates for the scarcity of experimental data by leveraging virtually inexhaustible simulated data. Further, its explainability reveals the crucial role of in-gap spectral weight in detecting phase fluctuations and thermodynamic transitions. Our work pinpoints the spectroscopic signatures of fluctuating orders and enables using spectroscopy for machine-learning-assisted material discovery for low-dimensional and strong coupling systems.

2D materials↗

Physics guided machine learning for multi-material decomposition of tissues from dual-energy CT scans of simulated breast models with calcifications

We introduce a physics guided data-driven method for image-based multi-material decomposition for dual-energy computed tomography (CT) scans. The method is demonstrated for CT scans of virtual human phantoms containing more than two types of tissues. The method is a physics-driven supervised learning technique. We take advantage of the mass attenuation coefficient of dense materials compared to that of muscle tissues to perform a preliminary extraction of the dense material from the images using unsupervised methods. We then perform supervised deep learning on the images processed by the extracted dense material to obtain the final multi-material tissue map. The method is demonstrated on simulated breast models with calcifications as the dense material placed amongst the muscle tissues. The physics-guided machine learning method accurately decomposes the various tissues from input images, achieving a normalized root-mean-squared error of 2.75%.

Gopalakrishnan Meena, Murali↗

3D Scanning Laboratory

The 3D Scanning Lab uses a number of technologies to capture 3D surface data. Those technologies are structured light scanning, discrete point measurement photogrammetry and Light Detecting and Ranging(LIDAR). Structured light is a non-contact optical technique used to capture as built surface geometries quickly and accurately. LIDAR is a laser scanning technique used to capture 3D surfaces. And photogrammetry uses a certified DSLR camera to measure discrete registered and non-registered points in 3D space. MSFC’s 3D Scanning Team uses 3D scanning to provide hardware inspections, reverse engineered CAD models, manufacturing/process development and digital assemblies. The inspection process compares the captured data to CAD, providing a color plot detailing the deviations of the scan data to the CAD model. Dimensional measurements and GD&T can also be interrogated. Inspection can provide scan-to-scan data comparisons which is ideal for assessing tested hardware, e.g. comparing data captured before and after hardware testing. Reverse engineering is used to develop CAD models from scan data. This is useful for heritage hardware studies, developing building or structural models and inputs for simulation studies and design efforts. The lab uses the 3D surface scan data to drive manufacturing/machining processes, termed match machining. This technique has been used to modify nozzles, injectors, additive manufactured parts, composite barrel sections, etc. Parts of an assembly can be scanned and assembled in a virtual environment providing an accurate 3D representation of the assembled hardware in its as-scanned state. This can provide detailed information of internal components that would otherwise not be accessible.

Advanced Manufacturing↗

Deep Generative Models for Materials Discovery and Machine Learning-Accelerated Innovation

Machine learning and artificial intelligence (AI/ML) methods are beginning to have significant impact in chemistry and condensed matter physics. For example, deep learning methods have demonstrated new capabilities for high-throughput virtual screening, and global optimization approaches for inverse design of materials. Recently, a relatively new branch of AI/ML, deep generative models (GMs), provide additional promise as they encode material structure and/or properties into a latent space, and through exploration and manipulation of the latent space can generate new materials. These approaches learn representations of a material structure and its corresponding chemistry or physics to accelerate materials discovery, which differs from traditional AI/ML methods that use statistical and combinatorial screening of existing materials via distinct structure-property relationships. However, application of GMs to inorganic materials has been notably harder than organic molecules because inorganic structure is often more complex to encode. In this work we review recent innovations that have enabled GMs to accelerate inorganic materials discovery. We focus on different representations of material structure, their impact on inverse design strategies using variational autoencoders or generative adversarial networks, and highlight the potential of these approaches for discovering materials with targeted properties needed for technological innovation.

36 MATERIALS SCIENCE↗

GeoNEX-ML: A Machine Learning System for Geostationary Satellite Imagery

Improved capabilities of earth monitoring satellites are enabling a wide range of studies on the environmental effects of climate change, often leveraging the recent advancements in machine learning. At the same time, the new capabilities, including higher spatial resolution and temporal frequency, are expanding the amount of data generated at exponential rates. Further, a large majority of archived datasets generated by scientific processing is never used. This motivates the development of an efficient machine learning system for end-to-end processing of multi-level satellite datasets, from level 1 top of atmosphere observations to user friendly environmental variables of interest. Using current generation geostationary satellites GOES-16/17 (NOAA/NASA), Himawari-8/9 (JAXA), and GK-2A (Korea), we present an interchangeable set of machine models to perform spectral adjustment, physical model emulation, LEO-GEO emulation, and optical flow in a high performance computing environment. We use these tools to generate consistent virtual observations across sensors, perform atmospheric correction and cloud detection, and estimate land surface temperature and atmospheric winds. This approach aims to improve the robustness of remotely sensed data processing by learning from diverse sets of observations while enabling near real-time and on-demand capabilities.

Geostationary satellites↗

Decentralized control of units in smart grids for the support of renewable energy supply

Due to the significant environmental impact of power production from fossil fuels and nuclear fission, future energy systems will increasingly rely on distributed and renewable energy sources (RES). The electrical feed-in from photovoltaic (PV) systems and wind energy converters (WEC) varies greatly both over short and long time periods (from minutes to seasons), and (not only) by this effect the supply of electrical power from RES and the demand for electrical power are not per se matching. In addition, with a growing share of generation capacity especially in distribution grids, the top-down paradigm of electricity distribution is gradually replaced by a bottom-up power supply. This altogether leads to new problems regarding the safe and reliable operation of power grids. In order to address these challenges, the notion of Smart Grids has been introduced. The inherent flexibilities, i.e. the set of feasible power schedules, of distributed power units have to be controlled in order to support demand–supply matching as well as stable grid operation. Controllable power units are e.g. combined heat and power plants, power storage systems such as batteries, and flexible power consumers such as heat pumps. By controlling the flexibilities of these units we are particularly able to optimize the local utilization of RES feed-in in a given power grid by integrating both supply and demand management measures with special respect to the electrical infrastructure. In this context, decentralized systems, autonomous agents and the concept of self-organizing systems will become key elements of the ICT based control of power units. In this contribution, we first show how a decentralized load management system for battery charging/discharging of electrical vehicles (EVs) can increase the locally used share of supply from PV systems in a low voltage grid. For a reliable demand side management of large sets of appliances, dynamic clustering of these appliances into uniformly controlled appliance sets is necessary. We introduce a method for self-organized clustering for this purpose and show how control of such clusters can affect load peaks in distribution grids. Subsequently, we give a short overview on how we are going to expand the idea of self-organized clusters of units into creating a virtual control center for dynamic virtual power plants (DVPP) offering products at a power market. For an efficient organization of DVPPs, the flexibilities of units have to be represented in a compact and easy to use manner. We give an introduction how the problem of representing a set of possibly 10{sup 100} feasible schedules can be solved by a machine-learning approach. In summary, this article provides an overall impression how we use agent based control techniques and methods of self-organization to support the further integration of distributed and renewable energy sources into power grids and energy markets. - Highlights: • Distributed load management for electrical vehicles supports local supply from PV. • Appliances can self-organize into so called virtual appliances for load control. • Dynamic VPPs can be controlled by extensively decentralized control centers. • Flexibilities of units can efficiently be represented by support-vector descriptions.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Enabling Scalable and Extensible Memory-mapped Datastores in Userspace

Exascale workloads are expected to incorporate data-intensive processing in close coordination with traditional physics simulations. These emerging scientific, data-analytics and machine learning applications need to access a wide variety of datastores in flat files and structured databases. Programmer productivity is greatly enhanced by mapping datastores into the application process's virtual memory space to provide a unified “in-memory” interface. Currently, memory mapping is provided by system software primarily designed for generality and reliability. However, scalability at high concurrency is a formidable challenge on exascale systems. Also, there is a need for extensibility to support new datastores potentially requiring HPC data transfer services. In this article, we present UMap , a scalable and extensible userspace service for memory-mapping datastores. Furthermore, through decoupled queue management, concurrency aware adaptation, and dynamic load balancing, UMap enables application performance to scale even at high concurrency. We evaluate UMap in data-intensive applications, including sorting, graph traversal, database operations, and metagenomic analytics. Our results show that UMap as a userspace service outperforms an optimized kernel-based service across a wide range of intra-node concurrency by 1.22-1.9 × . We performed two case studies to demonstrate UMap 's extensibility. First, a new datastore residing in remote memory is incorporated into UMap as an application-specific plugin. Second, we present a persistent memory allocator Metall built atop UMap for unified storage/memory.

97 MATHEMATICS AND COMPUTING↗

One-Step Ahead Prediction of Thermal Mixing Tee Sensors with Long Short Term Memory (LSTM) Neural Networks

High-temperature advanced reactors under development, such as sodium fast reactors (SFR) and molten salt cooled reactors (MSCR), are expected to offer lower levelized cost of energy (LCOE) compared to existing light water reactor (LWR’s). In the existing light water reactors (LWR’s), operation and maintenance (O&M) expenses constitute the largest fraction of the total operating cost. Some of the O&M costs are related maintenance of sensors which can fail due to exposure to harsh environment in a reactor. The O&M costs of Advanced Reactor (AR)’s are expected to constitute a significant fraction of the total cost as well, because of high temperature and radiation level in AR are likely to cause material fatigue and premature failure of sensors and components. The O&M costs in AR’s could be reduced through integration of advanced informatics of performance-related sensors into a digital twin designed for reactor monitoring. For example, machine learning (ML) could be employed for real-time validation and correction of performance-related sensors, and reducing the number of performance-related physical sensor units through virtual sensing. As part of the effort, we investigate real-time validation of thermal hydraulic sensors through one-step ahead forecasting of sensor values using long short-term memory (LSTM) recurrent neural networks (RNN). The sensors are installed in a flow loop containing a thermal mixing tee, which is a common experimental model to study thermal fatigue in a thermal hydraulic loop. In addition, nonlinear transients generated in a thermal mixing tee constitute a good challenge data set for training and validation of ML algorithms. Sensors in this study include thermocouples, flow meters, and optical fibers for distributed temperature sensing. In one experiment, measurement data sets were obtained for a loop was filled with water, and in another experiment, measurements were performed on a loop filled with liquid metal Galinstan. We have also conducted preliminary investigation of one-step ahead prediction of fiber optics-based distributed temperature sensing with LSTM networks. In predicting fiber-based temperature measurements, we treated each gauge pitch of the fiber as an independent sensor. Accuracy of one-step ahead forecasting was estimated by calculating root mean square error (RMSE) for the test segment of time series of each sensor. RMSE’s for temperature sensors in water loop were, for the most part, lower than for the same sensors in Galinstan loop. The RMSE’s for flow meters were similar for both loops. The RMSE’s for distributed temperature measured with the fiber optic sensor were similar to those of the point sensors. Results of this study demonstrated the capability of LSTM one-step ahead forecasting with RMSE comparable to uncertainty in sensor measurements.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Fire protection for launch facilities using machine vision fire detection

Fire protection of critical space assets, including launch and fueling facilities and manned flight hardware, demands automatic sensors for continuous monitoring, and in certain high-threat areas, fast-reacting automatic suppression systems. Perhaps the most essential characteristic for these fire detection and suppression systems is high reliability; in other words, fire detectors should alarm only on actual fires and not be falsely activated by extraneous sources. Existing types of fire detectors have been greatly improved in the past decade; however, fundamental limitations of their method of operation leaves open a significant possibility of false alarms and restricts their usefulness. At the Civil Engineering Laboratory at Tyndall Air Force Base in Florida, a new type of fire detector is under development which 'sees' a fire visually, like a human being, and makes a reliable decision based on known visual characteristics of flames. Hardware prototypes of the Machine Vision (MV) Fire Detection System have undergone live fire tests and demonstrated extremely high accuracy in discriminating actual fires from false alarm sources. In fact, this technology promises to virtually eliminate false activations. This detector could be used to monitor fueling facilities, launch towers, clean rooms, and other high-value and high-risk areas. Applications can extend to space station and in-flight shuttle operations as well; fiber optics and remote camera heads enable the system to see around obstructed areas and crew compartments. The capability of the technology to distinguish fires means that fire detection can be provided even during maintenance operations, such as welding.

Schwartz, Douglas B.↗