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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 235 records · Page 13

Application of Artificial Intelligence (AI) Programming Techniques to Tactical Guidance for Fighter Aircraft

A research program investigating the use of Artificial Intelligence (AI) techniques to aid in the development of a Tactical Decision Generator (TDG) for Within-Visual-Range (WVR) air combat engagements is discussed. The application of AI methods for development and implementation of the TDG is presented. The history of the Adaptive Maneuvering Logic (AML) program is traced and current versions of the AML program are compared and contrasted with the TDG system. The Knowledge-Based Systems (KBS) used by the TDG to aid in the decision-making process are outlined in detail and example rules are presented. The results of tests to evaluate the performance of the TDG versus a version of AML and versus human pilots in the Langley Differential Maneuvering Simulator (DMS) are presented. To date, these results have shown significant performance gains in one-versus-one air combat engagements, and the AI-based TDG software has proven to be much easier to modify than the updated FORTRAN AML programs.

McManus, John W.↗

SHADOW4: the popular ray tracing revived for evolving synchrotron sources in fourth-generation storage rings

We present SHADOW4, a new version of the popular ray tracing code. The SHADOW kernel has been completely rewritten in Python applying modern concepts of software engineering. A new user interface is available in the OASYS ecosystem. The new tool has been designed and implemented preparing the future needs both in computing (cloud computing, AI integration) and in the transit to fourth generation sources and beyond.

Sanchez del Rio, Manuel↗

Application of Artificial Intelligence (AI) programming techniques to tactical guidance for fighter aircraft

A research program investigating the use of Artificial Intelligence (AI) programming techniques to aid in the development of a Tactical Decision Generator (TDG) for Within-Visual-Range (WVR) air combat engagements is discussed. The application of AI methods for development and implementation of the TDG is presented. The history of the Adaptive Maneuvering Logic (AML) program is traced and current versions of the (AML) program is traced and current versions of the AML program are compared and contrasted with the TDG system. The Knowledge-Based Systems (KBS) used by the TDG to aid in the decision-making process are outlined and example rules are presented. The results of tests to evaluate the performance of the TDG against a version of AML and against human pilots in the Langley Differential Maneuvering Simulator (DMS) are presented. To date, these results have shown significant performance gains in one-versus-one air combat engagements.

Mcmanus, John W.↗

An atomic cluster expansion (ACE) potential for water under extreme conditions

We present a machine learning interatomic potential for water designed to capture its complex multiphase behavior, including both molecular and superionic ice phases. The potential is based on the atomic cluster expansion (ACE) formulation and has been parameterized to enable high-fidelity molecular dynamics simulations of water under extreme conditions, for pressures up to 100 GPa and for temperatures between 500 and 6000 K. A diverse range of configurations was generated through ab initio molecular dynamics (AI-MD) simulations, covering insulating and superionic ice phases, liquid water, and dissociated plasma phase. We demonstrate that the H 2 O ACE potential accurately reproduces experimental and DFT predicted isotherms and Hugoniots. Crucially, the potential is able to capture the intricate phase behavior of water, including the transition from molecular fluid to the appropriate solid ice phases, and the superionic ice phases. This work provides a robust interatomic potential that can be used for large-scale, accurate simulations of water under extreme thermodynamic conditions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Comparative Study of Large Language Model Architectures on Frontier

Large language models (LLMs) have garnered significant attention in both the AI community and beyond. Among these, the Generative Pre-trained Transformer (GPT) has emerged as the dominant architecture, spawning numerous variants. However, these variants have undergone pre-training under diverse conditions, including variations in input data, data preprocessing, and training methodologies, resulting in a lack of controlled comparative studies. Here we meticulously examine two prominent open-sourced GPT architectures, GPT-NeoX and LLaMA, leveraging the computational power of Frontier, the world’s first Exascale supercomputer. Employing the same materials science text corpus and a comprehensive end-to-end pipeline, we conduct a comparative analysis of their training and downstream performance. Our efforts culminate in achieving state-of-the-art performance on a challenging materials science benchmark. Furthermore, we investigate the computation and energy efficiency, and propose a computationally efficient method for architecture design. To our knowledge, these pre-trained models represent the largest available for materials science. Our findings provide practical guidance for building LLMs on HPC platforms.

Yin, Junqi↗

FAIR Data Meets FAIR Software

Modern scientific research is increasingly defined by the interplay between data, software, and the workflows that connect them. Yet while the FAIR (Findable, Accessible, Interoperable, Reusable) principles have become foundational for scientific data stewardship, the same level of structure and expectation has only recently begun to extend to research software. This talk covers why and how FAIR principles are being applied to data and software to support data reuse. It outlines the gaps in current sharing norms, the growing federal emphasis on persistent identifiers and public access, and the opportunities created when datasets, computational workflows, code, and models are linked through rich, standardized metadata. Practical implementation pathways for the EIC and JLab communities are described, including datacards for structured dataset documentation and provenance-aware workflows. By aligning data lifecycle management with FAIR-aligned software practices, the scientific community can advance toward autonomous knowledge graphs, generative workflows, and high-quality, AI-ready scientific datasets.

McSpadden, Diana [Thomas Jefferson National Accele↗

Progress and challenges in the application of artificial intelligence to computational fluid dynamics

An approach to analyzing CFD knowledge-based systems is proposed which is based, in part, on the concept of knowledge-level analysis. Consideration is given to the expert cooling fan design system, the PAN AIR knowledge system, grid adaptation, and expert zonal grid generation. These AI/CFD systems demonstrate that current AI technology can be successfully applied to well-formulated problems that are solved by means of classification or selection of preenumerated solutions.

Andrews, Alison E.↗

Object-oriented knowledge representation for expert systems

Object oriented techniques have generated considerable interest in the Artificial Intelligence (AI) community in recent years. This paper discusses an approach for representing expert system knowledge using classes, objects, and message passing. The implementation is in version 4.3 of NASA's C Language Integrated Production System (CLIPS), an expert system tool that does not provide direct support for object oriented design. The method uses programmer imposed conventions and keywords to structure facts, and rules to provide object oriented capabilities.

Scott, Stephen L.↗

Approach for Autonomous Control of Unmanned Aerial Vehicle Using Intelligent Agents for Knowledge Creation

This paper describes the development of a planned approach for Autonomous operation of an Unmanned Aerial Vehicle (UAV). A Hybrid approach will seek to provide Knowledge Generation thru the application of Artificial Intelligence (AI) and Intelligent Agents (IA) for UAV control. The application of many different types of AI techniques for flight will be explored during this research effort. The research concentration will be directed to the application of different AI methods within the UAV arena. By evaluating AI approaches, which will include Expert Systems, Neural Networks, Intelligent Agents, Fuzzy Logic, and Complex Adaptive Systems, a new insight may be gained into the benefits of AI techniques applied to achieving true autonomous operation of these systems thus providing new intellectual merit to this research field. The major area of discussion will be limited to the UAV. The systems of interest include small aircraft, insects, and miniature aircraft. Although flight systems will be explored, the benefits should apply to many Unmanned Vehicles such as: Rovers, Ocean Explorers, Robots, and autonomous operation systems. The flight system will be broken down into control agents that will represent the intelligent agent approach used in AI. After the completion of a successful approach, a framework of applying a Security Overseer will be added in an attempt to address errors, emergencies, failures, damage, or over dynamic environment. The chosen control problem was the landing phase of UAV operation. The initial results from simulation in FlightGear are presented.

Dufrene, Warren R., Jr.↗

Approach for Autonomous Control of Unmanned Aerial Vehicle Using Intelligent Agents for Knowledge Creation

This paper describes the development of a planned approach for Autonomous operation of an Unmanned Aerial Vehicle (UAV). A Hybrid approach will seek to provide Knowledge Generation through the application of Artificial Intelligence (AI) and Intelligent Agents (IA) for UAV control. The applications of several different types of AI techniques for flight are explored during this research effort. The research concentration is directed to the application of different AI methods within the UAV arena. By evaluating AI and biological system approaches. which include Expert Systems, Neural Networks. Intelligent Agents, Fuzzy Logic, and Complex Adaptive Systems, a new insight may be gained into the benefits of AI and CAS techniques applied to achieving true autonomous operation of these systems. Although flight systems were explored, the benefits should apply to many Unmanned Vehicles such as: Rovers. Ocean Explorers, Robots, and autonomous operation systems. A portion of the flight system is broken down into control agents that represent the intelligent agent approach used in AI. After the completion of a successful approach, a framework for applying an intelligent agent is presented. The initial results from simulation of a security agent for communication are presented.

Dufrene, Warren R., Jr.↗

MSD CoP Webinar: "Generative agents: A new frontier for representing human actors and their behavior in MSD models"

Context: This webinar was hosted by the MultiSector Dynamics Community of Practice (MSD CoP; https://multisectordynamics.org). Talk #1: Behavioral Generative Agents for Energy Operations Presenter: Dr. Cong Chen (Thayer School of Engineering, Dartmouth College) Abstract: Accurately modeling consumer behavior in energy operations remains challenging due to inherent uncertainties, behavioral complexities, and limited empirical data. This talk introduces a novel approach leveraging generative agents--artificial agents powered by large language models--to realistically simulate customer decision-making in dynamic energy operations. Talk #2: Simulating multiple human perspectives in socio-ecological systems using large language models Presenter: Dr. Yongchao Zeng (Institute of Meteorology and Climate Research, Atmospheric Environmental Research (IMK-IFU) of the Karlsruhe Institute of Technology in Germany) Abstract: Understanding socio-ecological systems requires insights from diverse stakeholder perspectives. This talk describes a novel simulation system called HoPeS (Human-oriented Perspective Shifting). HoPeS enables model users to not only explore simulated socio-ecological systems (SESs) from a third-person observer's perspective but also take any of the simulated stakeholder roles, like playing an RPG game. By shifting multiple perspectives, model users can reflect and integrate the situated knowledge learned through the participatory simulation, approximating a more holistic and less biased understanding of SESs. Moderators: Jim Yoon (MSD CoP Human Systems Modeling Working Group Co-Chair); Stefano Galelli (MSD CoP Using AI to Enhance MSD Research Working Group Co-Chair); Patrick M. Reed (MSD CoP Facilitation Team) This webinar was held on: November 13th, 2025 from 12-1 PM EST.

Artificial Intelligence↗

System Diagnostic Builder - A rule generation tool for expert systems that do intelligent data evaluation

Consideration is given to the System Diagnostic Builder (SDB), an automated knowledge acquisition tool using state-of-the-art AI technologies. The SDB employs an inductive machine learning technique to generate rules from data sets that are classified by a subject matter expert. Thus, data are captured from the subject system, classified, and used to drive the rule generation process. These rule bases are used to represent the observable behavior of the subject system, and to represent knowledge about this system. The knowledge bases captured from the Shuttle Mission Simulator can be used as black box simulations by the Intelligent Computer Aided Training devices. The SDB can also be used to construct knowledge bases for the process control industry, such as chemical production or oil and gas production.

Nieten, Joseph↗

Design of a Formation of Earth-Orbiting Satellites: The Auroral Lites Mission

The National Aeronautics and Space Administration (NASA) Goddard Space Flight Center (GSFC) has proposed a set of spacecraft flying in close formation around the Earth in order to measure the behavior of the auroras. The mission, named Auroral Lites, consists of four spacecraft configured to start at the vertices of a tetrahedron, flying over three mission phases. During the first phase, the distance between any two spacecraft in the formation is targeted at 10 kilometers (km). The second mission phase is much tighter, requiring satellite interrange spacing targeted at 500 meters. During the final phase of the mission, the formation opens to a nominal 100-km interrange spacing. In this paper, we present the strategy employed to initialize and model such a close formation during each of these phases. The analysis performed to date provides the design and characteristics of the reference orbit, the evolution of the formation during Phases I and II, and an estimate of the total mission delta-V budget. AI Solutions' mission design tool, FreeFlyer, was used to generate each of these analysis elements. The tool contains full force models, including both impulsive and finite duration maneuvers. Orbital maintenance can be fully modeled in the system using a flexible, natural scripting language built into the system. In addition, AI Solutions is in the process of adding formation extensions to the system facilitating mission analysis for formations like Auroral Lites. We will discuss how FreeFlyer is used for these analyses.

Hametz, Mark E.↗

Plant Bioengineering Atlas: A Knowledge Graph of Genes, DNA Constructs, and Plant Traits.

Plant bioengineering has generated tens of thousands of genotype-to-phenotype relationships, but this knowledge remains fragmented across narrative literature and difficult to use computationally. Inconsistent descriptions of DNA constructs, host species, and traits, including variable species names, omitted regulatory elements, and inconsistent gene symbols, impede data reuse, comparative analysis, and design-build-test-learn cycles. Here, we present the Plant Bioengineering Atlas, a literature-mined, ontology-grounded knowledge base assembled using an artificial intelligence (AI)-aided extraction pipeline. A large language model parsed open-access primary research articles to generate structured, provenance-anchored records of engineered genes, modification types, promoter-gene-terminator constructs, host species, target traits, and reported phenotypes, with every record traceable to its source. The current release contains 14,358 curated records encompassing 6,998 distinct genes across 436 plant species from 6,452 papers published between 2000 and 2026. Corpus analysis reveals that experiments are concentrated in a small group of model and crop species, disease and pathogen resistance is the most frequently engineered trait class, and constitutive regulatory parts (particularly the CaMV 35S promoter and NOS terminator) remain pervasive. Two in five records omit one or both flanking regulatory elements (i.e., promoter and terminator), while only 23.4% describe cassettes in which both elements resolve to named part classes, exposing a systematic reproducibility gap. We organize these data into a knowledge graph linking genes, constructs, species, and traits; provide access through an interactive web portal; and propose an AI-compatible documentation standard for AI-ready reporting. The Plant Bioengineering Atlas provides a foundation for data-driven hypothesis generation and AI-aided plant biodesign.

, Genes, DNA Constructs↗

Automatic mathematical modeling for real time simulation program (AI application)

A methodology is described for automatic mathematical modeling and generating simulation models. The major objective was to create a user friendly environment for engineers to design, maintain, and verify their models; to automatically convert the mathematical models into conventional code for computation; and finally, to document the model automatically.

Wang, Caroline↗

Creating Benchmark Data for Artificial Intelligence and Machine Learning Space Biology Research

To identify an appropriate AI/ML approach for a specific problem, the best practice is to measure algorithm performance through the benchmarking process. A scientific benchmark consists of an AI-ready dataset and a reference implementation on a specific scientific question. The NASA Science Mission Directorate (SMD) has started the “Benchmark Initiative for AI/ML to create scientific benchmark datasets in three applications: 1) scientific benchmarking, which finds the best algorithm for a specific problem; 2) application benchmarking, which measures algorithm performance against a set of parameters; and 3) system benchmarking, which evaluates performance of hardware and software architecture. Currently, there are no standardized datasets available to benchmark AI/ML algorithms in the domain of space biology. In this work, we constructed two AI/ML-ready biological datasets from experiments in space-flown mice: cellular imaging and RNA-seq. First, radiation-exposed immune cells harbor DNA damage foci that can be fluorescently marked to visualize the amount of damage following exposure to ionizing radiation. However, such large datasets are difficult to analyze visually, due to imaging inconsistencies and human bias, and classical image processing approaches can fail on imaging artifacts. AI/ML are therefore exciting alternative, providing the speed of machines and the accuracy of humans. We have made this dataset available at https://registry.opendata.aws/bps_microscopy/. Second, high-throughput nucleic acid sequencing (DNA-seq, RNA-seq) has become widespread in biomedical research due to the growing availability and affordability of these assays. However, most sequencing datasets suffer from high dimensionality and low sample count. In this work, we used a generative adversarial network to synthesize a standardized, AI-ready, publicly available benchmark dataset for space biology RNA-seq data with sufficient space-flown and ground control mouse liver samples from NASA GeneLab. This dataset is available at https://registry.opendata.aws/bps_rnaseq/. These datasets are now fully open the Space Biology community to test their favorite AI/ML approaches.

James Casaletto↗

New Era Towards Autonomous Additive Manufacturing: A Review of Recent Trends and Future Perspectives

Abstract The Additive Manufacturing (AM) landscape has significantly transformed in alignment with Industry 4.0 principles, primarily driven by the integration of Artificial Intelligence (AI) and Digital Twin (DT). However, current Intelligent Additive Manufacturing (IAM) systems face limitations such as fragmented AI tool usage and suboptimal human-machine interaction (HMI). This paper reviews existing IAM solutions, emphasizing control, monitoring, process autonomy, and end-to-end integration, and identifies key limitations, such as the absence of a high-level controller for global decision-making. To address these gaps, we propose a transition from IAM to Autonomous Additive Manufacturing (AAM), featuring a hierarchical framework with four integrated layers: knowledge, generative solution, operational, and cognitive. In the cognitive layer, AI agents notably enable machines to independently observe, analyze, plan, and execute operations that traditionally require human intervention. These capabilities streamline production processes and expand the possibilities for innovation, particularly in sectors like in-space manufacturing (ISM). Additionally, this paper discusses the role of AI in self-optimization and lifelong learning, positing that the future of AM will be characterized by a symbiotic relationship between human expertise and advanced autonomy, fostering a more adaptive, resilient manufacturing ecosystem.

Fan, Haolin↗