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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 1,045 records · Page 58

Development of novel dynamic machine learning-based optimization of a coal-fired power plant

The increasing fraction of intermittent renewable energy in the electrical grid is resulting in coal-fired boilers now routinely ramp up and down. The current state-of-the-art operation for such boilers is to apply steady-state, neural network-based optimization to make control decisions in real-time, and this report demonstrates the feasibility of extending this to dynamic, neural network-based optimization using a long short-term memory neural network. A simplified numerical simulation of a t-fired coal boiler and supporting equipment is used to represent a real plant subjected to both steady-state, neural network-based optimization and dynamic, neural network-based optimization. Using the same intervals and a particle swarm optimization algorithm, the dynamic optimization outperforms the steady-state optimization and realizes up to 4.58% improvement in thermal efficiency. Dynamic optimization with a long short-term memory neural network is shown to both be feasible and beneficial for operation of a coal-fired boiler under changing load.

42 ENGINEERING↗

DeepMerge – II. Building robust deep learning algorithms for merging galaxy identification across domains

In astronomy, neural networks are often trained on simulation data with the prospect of being used on telescope observations. Unfortunately, training a model on simulation data and then applying it to instrument data leads to a substantial and potentially even detrimental decrease in model accuracy on the new target dataset. Simulated and instrument data represent different data domains, and for an algorithm to work in both, domain-invariant learning is necessary. Here we employ domain adaptation techniques— Maximum Mean Discrepancy (MMD) as an additional transfer loss and Domain Adversarial Neural Networks (DANNs)— and demonstrate their viability to extract domain-invariant features within the astronomical context of classifying merging and non-merging galaxies. Additionally, we explore the use of Fisher loss and entropy minimization to enforce better in-domain class discriminability. We show that the addition of each domain adaptation technique improves the performance of a classifier when compared to conventional deep learning algorithms. We demonstrate this on two examples: between two Illustris-1 simulated datasets of distant merging galaxies, and between Illustris-1 simulated data of nearby merging galaxies and observed data from the Sloan Digital Sky Survey. The use of domain adaptation techniques in our experiments leads to an increase of target domain classification accuracy of up to ~20%. With further development, these techniques will allow astronomers to successfully implement neural network models trained on simulation data to efficiently detect and study astrophysical objects in current and future large-scale astronomical surveys.

galaxies: interactions↗

Spin switches for compact implementation of neuron and synapse

Nanomagnets driven by spin currents provide a natural implementation for a neuron and a synapse: currents allow convenient summation of multiple inputs, while the magnet provides the threshold function. The objective of this paper is to explore the possibility of a hardware neural network implementation using a spin switch (SS) as its basic building block. SS is a recently proposed device based on established technology with a transistor-like gain and input-output isolation. This allows neural networks to be constructed with purely passive interconnections without intervening clocks or amplifiers. The weights for the neural network are conveniently adjusted through analog voltages that can be stored in a non-volatile manner in an underlying CMOS layer using a floating gate low dropout voltage regulator. The operation of a multi-layer SS neural network designed for character recognition is demonstrated using a standard simulation model based on coupled Landau-Lifshitz-Gilbert equations, one for each magnet in the network.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Fault characterization of a multilayered perceptron network

The results of a set of simulation experiments conducted to quantify the effects of faults in a classification network implemented as a three-layered perception model are reported. The percentage of vectors misclassified by the classification network, the time taken for the network to stabilize, and the output values are measured. The results show that both transient and permanent faults have a significant impact on the performance of the network. Transient faults are also found to cause the network to be increasingly unstable as the duration of a transient is increased. The average percentage of the vectors misclassified is about 25 percent; after relearning, this is reduced to 10 percent. The impact of link faults is relatively insignificant in comparison with node faults (1 percent versus 19 percent misclassified after relearning). A study of the impact of hardware redundancy shows a linear increase in misclassifications with increasing hardware size.

Tan, Chang H.↗

5G-TSN Architecture Capable of Providing Real-time Situational Awareness to Fossil-Energy (FE) Generation Systems (Final Technical Report)

This final report highlights the comprehensive achievements of the project focused on developing and validating a 5G-Time Sensitive Networking (TSN) architecture tailored for real-time operational awareness in fossil energy systems. The initiative successfully advanced through a series of technical milestones, including the integration of EMI-aware network models, deployment of advanced simulation frameworks, and real-world performance characterization at key sites such as UTEP and Fabens. Through the strategic use of NetSim® software, the team created and validated network configurations for wired and wireless environments, tested under varying congestion conditions, and verified network slicing implementations for URLLC-specific applications. Major accomplishments include the migration of simulation tools to the latest NetSim® version to support accurate modeling of TSN and network slicing, extensive EMI measurement campaigns, and the development of a robust simulation model for end-to-end SCADA system integration. Simulations compared both TDD and FDD duplexing modes, revealing insights into their performance under congested conditions. The wireless network was benchmarked for throughput, jitter, and delay metrics, aligning with 3GPP Release 15/16 and IEEE 802.1-TSN standards. A peer-reviewed conference paper was accepted and published, contributing to the broader academic and industrial discourse on 5G-TSN integration in energy systems, in addition to a journal article. Despite minor delays due to software limitations, the project achieved its objectives and delivered validated architecture ready for deployment in advanced energy network environments.

01 COAL, LIGNITE, AND PEAT↗

Flexible AI Models for Grid Resilience

The rapid growth in size and complexity of artificial intelligence (AI) and machine learning (ML) models has led to increased energy demands, posing a threat to the reliability of the existing power grid. This project addresses the challenge of highly intermittent and energy-intensive inference workloads by (1) developing fidelity-adaptive neural networks capable of dynamic response to grid conditions and (2) integrating these networks with power flow simulations to assess their impact on power grid reliability. We will explore both top-down and bottom-up approaches to create hierarchies of submodels that provide a controlled trade-off between power draw and prediction accuracy. The top-down method utilizes NN pruning to reduce a flagship model into progressively smaller, energy-efficient variants. The bottom-up approach employs geometrically principled weight setting strategies to construct depth-efficient models from the ground up. A real-time hardware-in-the-loop (HIL) platform will be developed to simulate a scaled AC power grid, integrating live AI workload power draw and enabling dynamic model switching in response to grid feedback. This work will provide a novel framework for evaluating the impact of flexible AI/ML workloads on grid performance and establish new methodologies for energy-aware computing in data centers. The outcomes will demonstrate that adaptive AI/ML can play a critical role in improving grid stability while advancing NREL's leadership in energy-efficient computing research.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Computer aided nonlinear electrical networks analysis

Techniques used in simulating an electrical circuit with nonlinear elements for use in computer-aided circuit analysis programs are described. Elements of the circuit include capacitors, resistors, inductors, transistors, diodes, and voltage and current sources (constant or time varying). Simulation features are discussed for dc, ac, and/or transient circuit analysis. Calculations are based on the model approach of formulating the circuit equations. A particular solution of transient analysis for nonlinear storage elements is described.

Slapnicar, P.↗

TDRS MA phased-array antenna simulations

The NASA's Space Network (SN) nominal user services are prescheduled to allocate service type and required equipment to a user of the network. The availability of a resource for a given user is then communicated back to the user prior to requested service time. A proposed Demand Assignment Multiple Access (DAMA) system for NASA's SN to make it easier to allow a real time changes to add new user to the service schedule, is presented. The goals of the project are to improve the current operational modes by (1) reducing the support overhead required to maintain the overall scheduling requirements in this area; (2) allowing for more users to access the system especially those who traditionally have not considered SN access available to them; and (3) providing additional scheduling flexibility.

Caballero, Ruben↗

Use of Digital Real-Time Simulation and Optimization to Identify Maximum Real Power Injection on Banshee Distribution Network

This study investigates the hosting capacity of the Banshee Distribution Network by optimizing the real power injection at carefully selected Distributed Energy Resource (DER) locations. The analysis is conducted within the framework of power system operational constraints, including bus voltage ranges, thermal line ratings, and transformer loading limits. A Python-based Genetic Algorithm (GA), implemented using the PyGAD library, is employed to iteratively identify the optimal power injection configuration that maximizes network utilization while preserving system reliability. The methodology integrates a real-time simulation environment using the Real-Time Digital Simulator (RTDS), allowing high-fidelity evaluation of power flow and voltage behavior under each proposed injection scenario. By coupling the optimization algorithm with real-time simulation feedback, this approach ensures that both static and dynamic constraints are enforced during the evaluation process. The GA leverages evolutionary operators such as selection, crossover, and mutation to navigate the nonlinear search space efficiently. The results of the study delineate the feasible hosting capacity at three targeted buses, reflecting maximum real power levels that can be injected without causing voltage violations, transformer overloading, or line congestion. These findings provide a decision- support tool for distribution planners and utilities aiming to integrate higher penetrations of DERs in existing infrastructure. Additionally, the work lays the foundation for extending such optimization techniques to multi-objective formulations, including economic dispatch and reactive power coordination, in future studies.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Data-Efficient Generation of Protein Conformational Ensembles with Backbone-to-Side-Chain Transformers

Excitement at the prospect of using data-driven generative models to sample configurational ensembles of biomolecular systems stems from the extraordinary success of these models on a diverse set of high-dimensional sampling tasks. Unlike image generation or even the closely related problem of protein structure prediction, there are currently no data sources with sufficient breadth to parametrize generative models for conformational ensembles. To enable discovery, a fundamentally different approach to building generative models is required: models should be able to propose rare, albeit physical, conformations that may not arise in even the largest data sets. Here, in this work, we introduce a modular strategy to generate conformations based on “backmapping” from a fixed protein backbone that (1) maintains conformational diversity of the side chains and (2) couples the side-chain fluctuations using global information about the protein conformation. Our model combines simple statistical models of side-chain conformations based on rotamer libraries with the now ubiquitous transformer architecture to sample with atomistic accuracy. Together, these ingredients provide a strategy for rapid data acquisition and hence a crucial ingredient for scalable physical simulation with generative neural networks.

36 MATERIALS SCIENCE↗

Microservice Architecture for Cognitive Networks

This develops the concept of a cognitive network and describes a microservice based architecture which could be used to implement such a system. Delay tolerant networking (DTN) influences the design of the architecture as well as the networking scenarios that the system attempts to address. A cognitive storage and fragmentation service is developed based on existing artificial intelligence techniques such as Advantage Actor Critic (A2C) and Deep Q-Networks. The system is simulated using OpenAI Gym in a custom developed DTN environment.

cognitive networks↗

Antenna analysis using neural networks

Conventional computing schemes have long been used to analyze problems in electromagnetics (EM). The vast majority of EM applications require computationally intensive algorithms involving numerical integration and solutions to large systems of equations. The feasibility of using neural network computing algorithms for antenna analysis is investigated. The ultimate goal is to use a trained neural network algorithm to reduce the computational demands of existing reflector surface error compensation techniques. Neural networks are computational algorithms based on neurobiological systems. Neural nets consist of massively parallel interconnected nonlinear computational elements. They are often employed in pattern recognition and image processing problems. Recently, neural network analysis has been applied in the electromagnetics area for the design of frequency selective surfaces and beam forming networks. The backpropagation training algorithm was employed to simulate classical antenna array synthesis techniques. The Woodward-Lawson (W-L) and Dolph-Chebyshev (D-C) array pattern synthesis techniques were used to train the neural network. The inputs to the network were samples of the desired synthesis pattern. The outputs are the array element excitations required to synthesize the desired pattern. Once trained, the network is used to simulate the W-L or D-C techniques. Various sector patterns and cosecant-type patterns (27 total) generated using W-L synthesis were used to train the network. Desired pattern samples were then fed to the neural network. The outputs of the network were the simulated W-L excitations. A 20 element linear array was used. There were 41 input pattern samples with 40 output excitations (20 real parts, 20 imaginary). A comparison between the simulated and actual W-L techniques is shown for a triangular-shaped pattern. Dolph-Chebyshev is a different class of synthesis technique in that D-C is used for side lobe control as opposed to pattern shaping. The interesting thing about D-C synthesis is that the side lobes have the same amplitude. Five-element arrays were used. Again, 41 pattern samples were used for the input. Nine actual D-C patterns ranging from -10 dB to -30 dB side lobe levels were used to train the network. A comparison between simulated and actual D-C techniques for a pattern with -22 dB side lobe level is shown. The goal for this research was to evaluate the performance of neural network computing with antennas. Future applications will employ the backpropagation training algorithm to drastically reduce the computational complexity involved in performing EM compensation for surface errors in large space reflector antennas.

Smith, William T.↗

Simulation tests of the optimization method of Hopfield and Tank using neural networks

The method proposed by Hopfield and Tank for using the Hopfield neural network with continuous valued neurons to solve the traveling salesman problem is tested by simulation. Several researchers have apparently been unable to successfully repeat the numerical simulation documented by Hopfield and Tank. However, as suggested to the author by Adams, it appears that the reason for those difficulties is that a key parameter value is reported erroneously (by four orders of magnitude) in the original paper. When a reasonable value is used for that parameter, the network performs generally as claimed. Additionally, a new method of using feedback to control the input bias currents to the amplifiers is proposed and successfully tested. This eliminates the need to set the input currents by trial and error.

Paielli, Russell A.↗

JANUS: Resilient and Adaptive Data Transmission for Enabling Timely and Efficient Cross-Facility Scientific Workflows

In modern science, the growing complexity of large-scale scientific projects has led to an increasing reliance on cross-facility scientific workflows, where resources and expertise from multiple institutions and geographic locations are leveraged to accelerate scientific discovery. These workflows often require transmitting huge amounts of scientific data through wide-area networks. Although high-speed networks like ESnet and transfer services such as Globus have improved data mobility, several challenges remain. The sheer volume of data can overwhelm network bandwidth, widely used transport protocols such as TCP suffer from inefficiencies due to retransmissions triggered by packet loss, and existing fault-tolerance mechanisms like erasure coding introduce substantial overhead. In this paper, we propose Janus, a resilient and adaptable data transmission approach designed for cross-facility scientific workflows. Unlike traditional TCP-based methods, Janus leverages UDP, integrates erasure coding for fault tolerance, and combines it with error-bounded lossy compression to reduce overhead. This novel design allows users to balance data transmission time and accuracy, optimizing transfer performance based on specific scientific requirements. Additionally, Janus dynamically adjusts erasure coding parameters in response to real-time network conditions, ensuring efficient data transfers even in fluctuating environments. We develop optimization models for determining ideal configurations and implement adaptive data transfer protocols to enhance reliability. Through extensive simulations and real-network experiments, we demonstrate that Janus significantly improves transfer efficiency while maintaining data fidelity.

Esaulov, Vladislav [Georgia State University, Atla↗

Nonlinear intrinsic variables and state reconstruction in multiscale simulations

Finding informative low-dimensional descriptions of high-dimensional simulation data (like the ones arising in molecular dynamics or kinetic Monte Carlo simulations of physical and chemical processes) is crucial to understanding physical phenomena, and can also dramatically assist in accelerating the simulations themselves. In this paper, we discuss and illustrate the use of nonlinear intrinsic variables (NIV) in the mining of high-dimensional multiscale simulation data. In particular, we focus on the way NIV allows us to functionally merge different simulation ensembles, and different partial observations of these ensembles, as well as to infer variables not explicitly measured. The approach relies on certain simple features of the underlying process variability to filter out measurement noise and systematically recover a unique reference coordinate frame. We illustrate the approach through two distinct sets of atomistic simulations: a stochastic simulation of an enzyme reaction network exhibiting both fast and slow time scales, and a molecular dynamics simulation of alanine dipeptide in explicit water.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Symplectic machine learning model for fast simulation of space-charge effects

Symplectic simulation of space-charge effects is crucial for the design and operation of high-intensity particle accelerators. Traditional methods for simulating these effects are often computationally expensive, resulting in significant overhead. In this work, we introduce a generative model based on a U-Net architecture within a generative adversarial network framework to efficiently simulate space-charge effects. The model is trained to predict the transverse multiparticle space-charge Hamiltonian, which can be physically computed using a gridless spectral method. The one-step symplectic transverse transfer map for the particles is then obtained by differentiating the predicted Hamiltonian. Benchmarking results demonstrate that this generative model achieves an order of magnitude higher computational efficiency compared to the spectral method, providing a highly efficient alternative for simulating space-charge effects with a large number of particles. By maintaining symplecticity, the model effectively preserves the phase-space structure and mitigates nonphysical errors in long-term simulations. This model has been integrated into jutrack, a novel autodifferentiable accelerator modeling code developed in the julia programming language.

Beam code development & simulation techniques↗

Real-Sim Interface: Enabling Multi-resolution Simulation and X-in-the-Loop Development for Connected and Automated Vehicles

We report connected and automated vehicles (CAVs) can bring safety, mobility, and energy benefits to transportation systems. Ideally, CAV applications would be fully evaluated and validated prior to real-world implementation. However, many technical challenges in both software and hardware hinder the process. To comprehensively evaluate all aspects of CAV applications, an integrated evaluation environment is needed with various simulation tools from different domains. In the current literature, there lacks a well-developed interface to enable multi-resolution simulation of vehicle, traffic, virtual environment, and hardware-in-the-loop (HIL) simulation. In this work, a modular and flexible interface is developed to enable multi-resolution vehicle and traffic co-simulation for CAV applications. This interface is built upon Oak Ridge National Laboratory’s (ORNL’s) Real-Sim approach, can support various simulation tools and real-time X-in-the-loop (XIL) simulations, and is based on network communication protocols. The network communication delays are analyzed for simultaneous connection of up to 20 simulators. Then, two example applications are studied to demonstrate the potential usage of the Real-Sim interface: (1) a centralized merging scenario where the dynamics of two ego vehicles are emulated with detailed vehicle and powertrain dynamics models and (2) a signal-controller-in-the-loop (SCIL) evaluation where one intersection of the simulated traffic scenario is controlled by a physical signal controller. This Real-Sim interface is a tool that allows researchers to bring real, tangible hardware and software into simulated environments to comprehensively evaluate and support a wide variety of CAV applications.

33 ADVANCED PROPULSION SYSTEMS↗

Modeling and Simulation of Phased Array Antennas to Support Next-Generation Satellite Design

Developing enhanced simulation capabilities has become a significant priority for the Space Communications and Navigation (SCaN) project at NASA as new space communications technologies are proposed to replace aging NASA communications assets, such as the Tracking and Data Relay Satellite System (TDRSS). When developing the architecture for these new space communications assets, it is important to develop updated modeling and simulation methodologies, such that competing architectures can be weighed against one another and the optimal path forward can be determined. There have been many simulation tools developed here at NASA for the simulation of single RF link budgets, or for the modeling and simulation of an entire network of spacecraft and their supporting SCaN network elements. However, the modeling capabilities are never fully complete and as new technologies are proposed, gaps are identified. One such gap is the ability to rapidly develop high fidelity simulation models of electronically steerable phased array systems. As future relay satellite architectures are proposed that include optical communications links, electronically steerable antennas will become more desirable due to the reduction in platform vibration introduced by mechanically steerable devices. In this research, we investigate how modeling of these antennas can be introduced into out overall simulation and modeling structure. The ultimate goal of this research is two-fold. First, to enable NASA engineers to model various proposed simulation architectures and determine which proposed architecture meets the given architectural requirements. Second, given a set of communications link requirements for a proposed satellite architecture, determine the optimal configuration for a phased array antenna. There is a variety of tools available that can be used to model phased array antennas. To meet our stated goals, the first objective of this research is to compare the subset of tools available to us, trading-off modeling fidelity of the tool with simulation performance. When comparing several proposed architectures, higher- fidelity modeling may be desirable, however, when iterating a proposed set of communication link requirements across ranges of phased array configuration parameters, the practicality of performance becomes a significant requirement. In either case, a minimum simulation - fidelity must be met, regardless of performance considerations, which will be discussed in this research. Given a suitable set of phased array modeling tools, this research then focuses on integration with current SCaN modeling and simulation tools. While properly modeling the antenna elements of a system are vital, this is only a small part of the end-to-end communication path between a satellite and the supporting ground station and/or relay satellite assets. To properly model a proposed simulation architecture, this toolset must be integrated with other commercial and government development tools, such that the overall architecture can be examined in terms of communications, reliability, and cost. In this research, integration with previously developed communication tools is investigated.

Phased Array↗