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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 1,189 records · Page 66

Ab Initio-Based Bond Order Potential for Arsenene Polymorphs Developed via Hierarchical Reinforcement Learning

Arsenene, a less-explored two-dimensional material, holds the potential for applications in wearable electronics, memory devices, and quantum systems. This study introduces a bond-order potential model with Tersoff formalism, the ML-Tersoff, which leverages multireward hierarchical reinforcement learning (RL), trained on an ab initio data set. This data set covers a spectrum of properties for arsenene polymorphs, enhancing our understanding of its mechanical and thermal behaviors without the complexities of traditional models requiring multiple parameter sets. Our RL strategy utilizes decision trees coupled with a hierarchical reward strategy to accelerate convergence in high-dimensional continuous search spaces. Unlike the Stillinger-Weber approach, which demands separate formalisms for buckled and puckered forms, the ML-Tersoff model concurrently captures multiple properties of the two polymorphs by effectively representing the local environment, thereby avoiding the need for different atomic types. Here, we apply the ML model to understand the mechanical and thermal properties of the arsenene polymorphs and nanostructures. We observe an inverse relationship between the critical strain and temperature in arsenene. Thermal conductivity calculations in nanosheets show good agreement with ab initio data, reflecting a decrease in thermal conductivity attributable to increased anharmonic effects at higher temperatures. We also apply the model to predict the thermal behavior of arsenene nanotubes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Cross-Layered Cyber-Physical Power System State Estimation towards a Secure Grid Operation

In the Smart Grid paradigm, this critical infrastructure operation is increasingly exposed to cyber-threats due to the increased dependency on communication networks. An adversary can launch an attack on a power grid operation through False Data Injection into system measurements and/or through attacks on the communication network, such as flooding the communication channels with unnecessary data or intercepting messages. A cross-layered strategy that combines power grid data, communication grid monitoring and Machine Learning based processing is a promising solution for detecting cyberthreats. In this paper, an implementation of an integrated solution of a cross-layer framework is presented. The advantage of such a framework is the augmentation of valuable data that enhances the detection of anomalies in the operation of power grid. IEEE 118-bus system is built in Simulink to provide a power grid testing environment and communication network data is emulated using SimComponents. The performance of the framework is investigated under various FDI and communication attacks.

cyber security, network security, cyber-physical s↗

Learning-accelerated discovery of immune-tumour interactions

We present an integrated framework for enabling dynamic exploration of design spaces for cancer immunotherapies with detailed dynamical simulation models on high-performance computing resources. Our framework combines PhysiCell, an open source agent-based simulation platform for cancer and other multicellular systems, and EMEWS, an open source platform for extreme-scale model exploration. We build an agent-based model of immunosurveillance against heterogeneous tumours, which includes spatial dynamics of stochastic tumour–immune contact interactions. We implement active learning and genetic algorithms using high-performance computing workflows to adaptively sample the model parameter space and iteratively discover optimal cancer regression regions within biological and clinical constraints.

60 APPLIED LIFE SCIENCES↗

Systems Development, Data Mining, and Knowledge Discovery

The primary role of the Technical Integration Office is to provide technical solutions and services to different branches at KSC (Kennedy Space Center) and NASA program customers. The Technical Integration Office helps support KSC's operational needs by providing services such as digital connectivity, data center services, modelling and simulation tools, and communication video services. To learn the necessary technology and processes for my internship, I am working on two projects: learning C# (C Sharp programming language) with SQL and developing requirements for a PX (Communication and Public Engagement) inventory management system. To learn how to efficiently program with C#, my mentor assigned me to complete a sports informatics application that would let users discover facts and rules about various sports. The sports informatics application comes with search capabilities, report generating features, rule lists that users can modify, and diagrams for various sport strategies. To further build upon this project, I also developed a sport simulation game with the application. Once I begin more SQL-based projects, I will have the opportunity to learn how to manage databases and link SQL servers with C# programs. To develop requirements for the inventory management system, I have met with PX representatives and toured their storage facilities to see how they organize and store their items and equipment. I will also be meeting with representatives from the budget office to find out what information must be in a system budget report. The main components the system must have are customer request management, a search feature for items and equipment, report generation capabilities, and automated system warnings when item quantities reach or go below administrator-specified threshold levels. I have drafted questions and shall statements that will ultimately become part of the inventory management system requirements document.

Espinosa, Gabriel↗

Lessons learned from the introduction of autonomous monitoring to the EUVE science operations center

The University of California at Berkeley's (UCB) Center for Extreme Ultraviolet Astrophysics (CEA), in conjunction with NASA's Ames Research Center (ARC), has implemented an autonomous monitoring system in the Extreme Ultraviolet Explorer (EUVE) science operations center (ESOC). The implementation was driven by a need to reduce operations costs and has allowed the ESOC to move from continuous, three-shift, human-tended monitoring of the science payload to a one-shift operation in which the off shifts are monitored by an autonomous anomaly detection system. This system includes Eworks, an artificial intelligence (AI) payload telemetry monitoring package based on RTworks, and Epage, an automatic paging system to notify ESOC personnel of detected anomalies. In this age of shrinking NASA budgets, the lessons learned on the EUVE project are useful to other NASA missions looking for ways to reduce their operations budgets. The process of knowledge capture, from the payload controllers for implementation in an expert system, is directly applicable to any mission considering a transition to autonomous monitoring in their control center. The collaboration with ARC demonstrates how a project with limited programming resources can expand the breadth of its goals without incurring the high cost of hiring additional, dedicated programmers. This dispersal of expertise across NASA centers allows future missions to easily access experts for collaborative efforts of their own. Even the criterion used to choose an expert system has widespread impacts on the implementation, including the completion time and the final cost. In this paper we discuss, from inception to completion, the areas where our experiences in moving from three shifts to one shift may offer insights for other NASA missions.

Lewis, M.↗

A non-intrusive framework using acoustic signals and deep learning for boiling diagnostics in visual-limited environments

Accurate monitoring of boiling heat transfer is critical for safeguarding high-power systems operating in environments where conventional optical diagnostics are hindered by radiation fields or restricted visual accessibility. This study presents a non-intrusive framework that integrates hydroacoustic sensing with deep learning to infer near-wall boiling characteristics and enable predictive thermal assessment without visual access. In a prototypical subcooled flow-boiling facility representative of the Isotope Production Facility (IPF) at Los Alamos, hydrophones capture boiling-induced acoustic emissions that are transformed into background-removed Short-Time Fourier Transform (STFT) spectrograms. A convolutional neural network (CNN) then regresses heat flux, wall superheat, and key bubble parameters directly from these spectrograms. The CNN achieved predictive accuracy under nominal conditions and demonstrated robustness and generalization under acoustic noise for Signal-to-Noise Ratios (SNRs) down to approximately 0 dB. When integrated into an ANSYS CFX wall-boiling model, the acoustically inferred parameters reproduced boiling curve and critical heat flux (CHF) values consistent with image-based benchmarks. Furthermore, the model retained reliable performance under moderate variations in bulk temperature, flow rate, and hydrophone placement, confirming its generalizability across practical boundary conditions. These results demonstrate the feasibility of hydroacoustic-based deep learning as a viable path toward real-time, radiation-tolerant boiling diagnostics and predictive thermal safety assessment in inaccessible systems such as the IPF.

42 ENGINEERING↗

Two-dimensional ring polymer molecular dynamics determination of the MnO + + H 2 /D 2 reaction rates on a Δ-machine learned potential energy surface

In this work, we investigate the impact of nuclear quantum effects in the kinetics of the MnO + + H 2 reaction, a prototypical system for gas-phase H 2 activation by transition metal oxide ions. The DFT based potential energy surfaces (PESs) for the lowest-lying quintet and septet spin states reported in our previous work are improved by 2953 newly calculated CCSD(T)/AVDZ points using a delta-machine learning (Δ-ML) method. To examine nuclear quantum effects, the rate coefficients are computed using ring-polymer molecular dynamics (RPMD). Due to the mechanistic complexity of the reaction, two reaction coordinates are necessary to map out the free-energy surface and an extended RPMD rate theory is developed. The calculated RPMD rate coefficients on the new PES are in better agreement with experimental data. The calculated kinetic isotope effects (KIEs) range from 1.6 to 1.8, also in good agreement with the experimental values. Additionally, the converged RPMD rate coefficients are 2.3 to 3.1 times higher than their classical counterparts across the studied temperature range, suggesting the presence of moderate nuclear quantum effects in this reaction.

Liu, Yang [University of New Mexico, Albuquerque, ↗

Multi-Objective Reinforcement Learning for Cognitive Radio-Based Satellite Communications

Previous research on cognitive radios has addressed the performance of various machine-learning and optimization techniques for decision making of terrestrial link properties. In this paper, we present our recent investigations with respect to reinforcement learning that potentially can be employed by future cognitive radios installed onboard satellite communications systems specifically tasked with radio resource management. This work analyzes the performance of learning, reasoning, and decision making while considering multiple objectives for time-varying communications channels, as well as different cross-layer requirements. Based on the urgent demand for increased bandwidth, which is being addressed by the next generation of high-throughput satellites, the performance of cognitive radio is assessed considering links between a geostationary satellite and a fixed ground station operating at Ka-band (26 GHz). Simulation results show multiple objective performance improvements of more than 3.5 times for clear sky conditions and 6.8 times for rain conditions.

software defined radio↗

Importance Of Quality Control in Reducing System Risk, a Lesson Learned From The Shuttle and a Recommendation for Future Launch Vehicles

This paper presents lessons learned from the Space Shuttle return to flight experience and the importance of these lessons learned in the development of new the NASA Crew Launch Vehicle (CLV). Specifically, the paper discusses the relationship between process control and system risk, and the importance of process control in improving space vehicle flight safety. It uses the External Tank (ET) Thermal Protection System (TPS) experience and lessons learned from the redesign and process enhancement activities performed in preparation for Return to Flight after the Columbia accident. The paper also, discusses in some details, the Probabilistic engineering physics based risk assessment performed by the Shuttle program to evaluate the impact of TPS failure on system risk and the application of the methodology to the CLV.

Safie, Fayssal M.↗

FINETUNA: fine-tuning accelerated molecular simulations

Abstract Progress towards the energy breakthroughs needed to combat climate change can be significantly accelerated through the efficient simulation of atomistic systems. However, simulation techniques based on first principles, such as density functional theory (DFT), are limited in their practical use due to their high computational expense. Machine learning approaches have the potential to approximate DFT in a computationally efficient manner, which could dramatically increase the impact of computational simulations on real-world problems. However, they are limited by their accuracy and the cost of generating labeled data. Here, we present an online active learning framework for accelerating the simulation of atomic systems efficiently and accurately by incorporating prior physical information learned by large-scale pre-trained graph neural network models from the Open Catalyst Project. Accelerating these simulations enables useful data to be generated more cheaply, allowing better models to be trained and more atomistic systems to be screened. We also present a method of comparing local optimization techniques on the basis of both their speed and accuracy. Experiments on 30 benchmark adsorbate-catalyst systems show that our method of transfer learning to incorporate prior information from pre-trained models accelerates simulations by reducing the number of DFT calculations by 91%, while meeting an accuracy threshold of 0.02 eV 93% of the time. Finally, we demonstrate a technique for leveraging the interactive functionality built in to Vienna ab initio Simulation Package (VASP) to efficiently compute single point calculations within our online active learning framework without the significant startup costs. This allows VASP to work in tandem with our framework while requiring 75% fewer self-consistent cycles than conventional single point calculations. The online active learning implementation, and examples using the VASP interactive code, are available in the open source FINETUNA package on Github.

97 MATHEMATICS AND COMPUTING↗

Improving Primary Frequency Response in Networked Microgrid Operations using Multilayer Perceptron-Driven Reinforcement Learning

Individual microgrids can improve the reliability of power grids during extreme events, and networked microgrids can further improve efficiency through resource sharing and increase the resilience of critical end-use loads. However, networked microgrid operations are subject to large switching transients, which can cause dynamic instability and lead to system collapse. These transients are especially prevalent in microgrids with high penetrations of inverter-connected renewable energy resources, which do not provide the system inertia needed to mitigate the transients. Existing generator controls can be modified to invoke a drop in terminal voltage in response to a frequency deviation, thereby reducing load and improving frequency response. This paper investigates the use of a reinforcement-learning--based controller trained over several switching transient scenarios to modify generator controls during large frequency deviations. Compared to previously used proportional integral controllers, the proposed controller can improve primary frequency response while adapting to changes in system topologies and events.

Radhakrishnan, Nikitha↗

Spectral Clustering-Based Partitioning of Large-Scale Power Electronics-Based Power Systems for Small-Signal Stability Analysis

The nodal admittance matrix (NAM)-based approach is well-suited for small-signal stability analysis of large-scale power electronics-based power systems (PEPSs), as it preserves the system structure through its admittance matrix. Previous studies have explored partitioning such systems into subareas and interconnections to reduce computational burden; however, they lacked a formal algorithmic procedure for determining feasible partitions. While several grid partitioning methods, such as those based on graph theory or machine learning, exist in the literature, they cannot be directly applied to NAM-based analysis due to differing objectives and constraints. Here, this paper addresses this gap by presenting a systematic, step-by-step procedure for applying a spectral partitioning algorithm that yields a division of the system into subareas suitable for NAM-based analysis. The computational complexity of the proposed method is also derived to demonstrate its efficiency and justify the practicality of the resulting subarea decomposition. The performance of the partitioning method is evaluated by applying the spectral clustering-derived subareas and interconnections to the NAM-based partitioning approach on a 140-bus system. Computational times for the full-system and partitioned NAM analyses are compared using MATLAB. Additionally, PSCAD simulations of the complete system and partitioned subareas are carried out to verify the effectiveness of the proposed method.

Nupur [Univ. of Tennessee, Knoxville, TN (United S↗

Lessons learned: DC-X

The DC-X was conceived and developed specifically to lay the ground work for significantly lowering the cost of space operations. The system design was based on an initial set of program goals and a finite, limited set of resources. The goal in its simplest terms was to demonstrate vertical landing after rotation of the vehicle from a nose-first to an engines-first altitude. Finite resources actually drove the selection of a robust design to reduce fabrication and preflight testing costs. The result was a system with a large amount of flexibility which allowed expansion of the test goals as the system, and test program, evolved. The use of the vehicle flight computer interfacing with the ground control system for flight crew training was also not an initial concept. However, by defining an architecture for the system control modes which allowed additions and modifications as learning progressed, the 6 DOF codes used for flight controls software development were transported to the operating system to be used in a simulated flight mode. Flight data reduction was also greatly improved as the program progressed, and the data needs and presentation were refined. The software, avionics hardware, and the FOCC system development proceeded ahead of the vehicle, primarily because most of the hardware elements were existing at the outset of the program. The Built-in-Test (BIT) for avionics and propulsion systems were adequate. Particularly the flight readiness system which verified the vehicle health after engine start and before throttle-up for flight.

Steinmeyer, D. A.↗

Robust Event Classification Using Imperfect Real-world PMU Data

Here, this paper studies robust event classification using imperfect real-world phasor measurement unit (PMU) data. By analyzing the real-world PMU data, we find it is challenging to directly use this dataset for event classifiers due to the low data quality observed in PMU measurements and event logs. To address these challenges, we develop a novel machine learning framework for training robust event classifiers, which consists of three main steps: data preprocessing, fine-grained event data extraction, and feature engineering. Specifically, the data preprocessing step addresses the data quality issues of PMU measurements (e.g., bad data and missing data); in the fine-grained event data extraction step, a model-free event detection method is developed to accurately localize the events from the inaccurate event timestamps in the event logs; and the feature engineering step constructs the event features based on the patterns of different event types, in order to improve the performance and the interpretability of the event classifiers. Based on the proposed framework, we develop a workflow for event classification using the real-world PMU data streaming into the system in real time. Using the proposed framework, robust event classifiers can be efficiently trained based on many off-the-shelf lightweight machine learning models. Numerical experiments using the real-world dataset from the Western Interconnection of the U.S power transmission grid show that the event classifiers trained under the proposed framework can achieve high classification accuracy while being robust against low-quality data.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Adaptive Stress Testing: Using Reinforcement Learning to Find Failures in Safety-Critical Systems

Emerging applications in artificial intelligence, such as driverless cars and autonomous aircraft promise to be more efficient, cheaper to operate, and always available. However, ensuring the safety of these systems remains a major challenge to their certification and adoption. These autonomous systems are expected to routinely make safety-critical decisions where failures can have serious consequences including loss of life and property. Testing and validation techniques aim to identify and diagnose potential failures before the system is deployed. However, finding failure scenarios in autonomous systems can be very challenging due to high-dimensional and continuous state spaces, interaction with large environments over many time steps, and the rarity of failures. This talk presents Adaptive Stress Testing (AST), a simulation-based testing framework for finding the most likely path to a failure event of a safety-critical system. The key idea of AST is that stress testing can be formulated as a Partially Observable Markov Decision Process (POMDP), which enables reinforcement learning techniques to be used for finding failure events. Reinforcement learning algorithms can efficiently explore the search space and have been shown to scale to very large systems. We present applications of AST to find failures in various safety-critical systems including the aircraft collision avoidance systems, autonomous cars, and small unmanned aerial vehicles.

autonomous vehicles↗

End-to-End Workflow for Machine-Learning-Based Qubit Readout With QICK and hls4ml

In this article, we present an end-to-end workflow for superconducting qubit readout that embeds codesigned neural networks into the quantum instrumentation control kit (QICK). Capitalizing on the custom firmware and software of the QICK platform, which is built on Xilinx radiofrequency system-on-chip field-programmable gate arrays (FPGAs), we aim to leverage machine learning (ML) to address critical challenges in qubit readout accuracy and scalability. The workflow utilizes the hls4ml package and employs quantization-aware training to translate ML models into hardware-efficient FPGA implementations via user-friendly Python application programming interfaces. We experimentally demonstrate the design, optimization, and integration of an ML algorithm for single transmon qubit readout, achieving 96% single-shot fidelity with a latency of 32.25 ns and less than 16% FPGA lookup table resource utilization. Our results offer the community an accessible workflow to advance ML-driven readout and adaptive control in quantum information processing applications.

42 ENGINEERING↗

Systems Health Management and Prognostics Approaches for Electric Aircrafts

As more and more electric vehicles emerge in our daily operation progressively, a very critical challenge lies in the prediction of remaining driving flying time/distance for the flying vehicles. This information is important, particularly in the case of auto vehicles, because such vehicles can become self-aware, autonomously compute its own capabilities, and identify how to best plan and successfully complete vehicular missions safely. In case of electric aircrafts, computing the remaining flying time is also safety-critical, since an aircraft that runs out of power (battery charge) while in the air will eventually lose control leading to catastrophe. To facilitate and solve the prediction problem, awareness of the current health state of the system is key, since it is necessary to perform condition-based predictions. To accurately predict the future state of any system, it is required to possess knowledge of its current health state and future operational conditions. Latest achievements of data-driven algorithms in regression of complex nonlinear functions and classification tasks have generated a growing interest in artificial intelligence for industrial applications. Complex multi-physics models as well as digital twins, once purely built on physics and corresponding simplified lumped parameter iterations, can now benefit from machine learning algorithms to mitigate the lack of understanding of some complex behavior. Given models of the current and future system behavior, a general approach of model-based prognostics can solve the prediction problem and further decision-making. A systematic prediction framework is implemented to identify all possible sources of uncertainty, quantify each of them individually, and mathematically estimate their combined effect on the system-level quantity of interest, in this case, the remaining flying time/distance of the unmanned aircraft. Note - This presentation contains all previously published information.

Systems Health Managent↗

Health Monitoring and Prognostics for Electric Aircrafts

As more and more electric vehicles emerge in our daily operation progressively, a very critical challenge lies in the prediction of remaining driving flying time/distance for the flying vehicles. This information is important, particularly in the case of auto vehicles, because such vehicles can become self-aware, autonomously compute its own capabilities, and identify how to best plan and successfully complete vehicular missions safely. In case of electric aircrafts, computing the remaining flying time is also safety-critical, since an aircraft that runs out of power (battery charge) while in the air will eventually lose control leading to catastrophe. To facilitate and solve the prediction problem, awareness of the current health state of the system is key, since it is necessary to perform condition-based predictions. To accurately predict the future state of any system, it is required to possess knowledge of its current health state and future operational conditions. Latest achievements of data-driven algorithms in regression of complex nonlinear functions and classification tasks have generated a growing interest in artificial intelligence for industrial applications. Complex multi-physics models as well as digital twins, once purely built on physics and corresponding simplified lumped parameter iterations, can now benefit from machine learning algorithms to mitigate the lack of understanding of some complex behavior. Given models of the current and future system behavior, a general approach of model-based prognostics can solve the prediction problem and further decision-making. A systematic prediction framework is implemented to identify all possible sources of uncertainty, quantify each of them individually, and mathematically estimate their combined effect on the system-level quantity of interest, in this case, the remaining flying time/distance of the unmanned aircraft. Note - This presentation contains all previously approved and published information.

Systems Health Managent↗