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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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All sources NASA NTRS DOE OSTI

NASA NTRS1989

An intelligent user interface for browsing satellite data catalogs

A large scale domain-independent spatial data management expert system that serves as a front-end to databases containing spatial data is described. This system is unique for two reasons. First, it uses spatial search techniques to generate a list of all the primary keys that fall within a user's spatial constraints prior to invoking the database management system, thus substantially decreasing the amount of time required to answer a user's query. Second, a domain-independent query expert system uses a domain-specific rule base to preprocess the user's English query, effectively mapping a broad class of queries into a smaller subset that can be handled by a commercial natural language processing system. The methods used by the spatial search module and the query expert system are explained, and the system architecture for the spatial data management expert system is described. The system is applied to data from the International Ultraviolet Explorer (IUE) satellite, and results are given.

Cromp, Robert F.↗

NASA NTRS1989

An intelligent user interface for browsing satellite data catalogs

Cromp, Robert F.↗

NASA NTRS1983

Top-down methodology for human factors research

User computer interaction as a conversation is discussed. The design of user interfaces which depends on viewing communications between a user and the computer as a conversion is presented. This conversation includes inputs to the computer (outputs from the user), outputs from the computer (inputs to the user), and the sequencing in both time and space of those outputs and inputs. The conversation is viewed from the user's side of the conversation. Two languages are modeled: the one with which the user communicates with the computer and the language where communication flows from the computer to the user. Both languages exist on three levels; the semantic, syntactic and lexical. It is suggested that natural languages can also be considered in these terms.

Sibert, J.↗

NASA NTRS1991

Controlling Laboratory Processes From A Personal Computer

Computer program provides natural-language process control from IBM PC or compatible computer. Sets up process-control system that either runs without operator or run by workers who have limited programming skills. Includes three smaller programs. Two of them, written in FORTRAN 77, record data and control research processes. Third program, written in Pascal, generates FORTRAN subroutines used by other two programs to identify user commands with device-driving routines written by user. Also includes set of input data allowing user to define user commands to be executed by computer. Requires personal computer operating under MS-DOS with suitable hardware interfaces to all controlled devices. Also requires FORTRAN 77 compiler and device drivers written by user.

Will, H.↗

NASA NTRS2022

Virtual Assistant for First Responders Using Natural Language Understanding and Optical Character Recognition

Commercial deep learning capabilities are available for many applications such as computer vision processing and intelligent chat bots. The Google Cloud Platform product Google Dialogflow provides lifelike conversational artificial intelligence (AI) using machine learning (ML) to generate natural conversations between computers and humans. This ML utilizes natural language understanding (NLU) to recognize a user’s intent and extracts key information into a form of entities. We have developed a user-friendly application through understanding the hazardous material database, first aid safety guidelines and observing the process of first responders who access this information in the field. We created the Trusted and Explainable Artificial Intelligence for Saving Lives (TruePAL) virtual assistant using Dialogflow1 and TensorFlow2 paired with EasyOCR.3 The chatbot supports first responders by providing voice interaction which helps limit additional steps such as browsing through multiple categories when searching for information. Using feedback from our field interviews, the voice interface has been developed to enable the first responder to focus on the immediate emergency. With less distractions, the first responder is able to engage the incident more effectively. The partial hands-free TruePAL chatbot assistant improves the accessibility to the correct guidance by an average of 1.9 seconds compared to the widely used application, NIH WISER, which requires full attention to operate. We combined this intelligent chatbot with a separate visual processing capability to produce hazardous signage analysis and generate the proper guidance for first responders. With the evolving functionality of AI tools, the use of virtual assistants in first responder technology will be an advancement, benefiting the safety of both first responders and civilians.

Chow, Edward↗

NASA NTRS1989

Integrated modeling tool for performance engineering of complex computer systems

This report summarizes Advanced System Technologies' accomplishments on the Phase 2 SBIR contract NAS7-995. The technical objectives of the report are: (1) to develop an evaluation version of a graphical, integrated modeling language according to the specification resulting from the Phase 2 research; and (2) to determine the degree to which the language meets its objectives by evaluating ease of use, utility of two sets of performance predictions, and the power of the language constructs. The technical approach followed to meet these objectives was to design, develop, and test an evaluation prototype of a graphical, performance prediction tool. The utility of the prototype was then evaluated by applying it to a variety of test cases found in the literature and in AST case histories. Numerous models were constructed and successfully tested. The major conclusion of this Phase 2 SBIR research and development effort is that complex, real-time computer systems can be specified in a non-procedural manner using combinations of icons, windows, menus, and dialogs. Such a specification technique provides an interface that system designers and architects find natural and easy to use. In addition, PEDESTAL's multiview approach provides system engineers with the capability to perform the trade-offs necessary to produce a design that meets timing performance requirements. Sample system designs analyzed during the development effort showed that models could be constructed in a fraction of the time required by non-visual system design capture tools.

Wright, Gary↗

NASA NTRSDate not supplied

The Essence of Reactivity

Reactive programming, functional reactive programming, event-based programming, stream programming, and temporal logic all share an underlying commonality: values can vary over time. These languages differ in multiple ways, including the nature of time itself (e.g., continuous or discrete, dense or sparse, implicit or explicit), on how much of the past and future can be referenced, on the kinds of values that can be represented, as well as the mechanisms used to evaluate expressions or formulas. This paper presents a series of abstractions that capture the essence of different forms of time variance. By separating the aspects that differentiate each family of formalisms, we can better express the commonalities and differences between them. We demonstrate our work with a prototype in Haskell that allows us to write programs in terms of a generic interface that can be later instantiated to different abstractions depending on the desired target.

reactive programming↗

DOE OSTI2025

Osprey Framework v0.2.2

The Alpha Berkeley Framework is a software architecture for building agentic AI systems that coordinate multi-step workflows in scientific and industrial environments. It is based on a plan-first orchestration model, where natural language requests are translated into execution plans with explicit dependencies and optional human approval. The framework includes capability classification, which selects relevant tools on a per-task basis to keep orchestration efficient as the number of available tools grows. It incorporates task extraction methods that compress conversational context and integrate external resources such as databases, APIs, and knowledge bases into structured, machine-readable tasks. Execution is supported by modular services with checkpointing, artifact management, and error handling, allowing workflows to be paused, inspected, and resumed. The system is designed for deployment in production environments, supporting both local and containerized execution as well as integration with HPC clusters. Interfaces include command-line tools, browser-based workflows, and containerized services. The framework has been demonstrated in tutorial examples and deployed at the Advanced Light Source, where it coordinates accelerator control and analysis workflows.

Hellert, Thorsten [Lawrence Berkeley National Labo↗

NASA NTRSDate not supplied

Informing NLP Learning Tasks by Tracking User Features: An ASRS Use Case using Kaona

There has been growing interest in utilizing natural language processing (NLP) algorithms in Aviation Safety. This interest has extended to leveraging the decades of records publicly available on the Aviation Safety Reporting System (ASRS). While related literature has given more emphasis in lessons learned from the narratives, our prior work has focused on using NLP to support narrative search in the ASRS. Specifically, we evaluated if the use of alternative search mechanisms to keyword search, such as the retrieval of related narratives even without matching keywords could improve narrative discovery. A difficulty in experimenting alternative search mechanisms in any information retrieval task is the lack of ground truth. To address this limitation, we propose Kaona, a lightweight interface which enables the prototyping of alternative search retrieval tasks, by tracking user experience both explicitly (user-specified feedback), or implicitly (user navigation through interface affordances). Differently from distracting requests for feedback during user navigation, Kaona collects explicit feedback from users by mapping them to affordances which support the user workflow, while obtaining ground truth information for learning tasks.

human-computer-interaction↗

NASA NTRS2013

Towards Human-Friendly Efficient Control of Multi-Robot Teams

This paper explores means to increase efficiency in performing tasks with multi-robot teams, in the context of natural Human-Multi-Robot Interfaces (HMRI) for command and control. The motivating scenario is an emergency evacuation by a transport convoy of unmanned ground vehicles (UGVs) that have to traverse, in shortest time, an unknown terrain. In the experiments the operator commands, in minimal time, a group of rovers through a maze. The efficiency of performing such tasks depends on both, the levels of robots' autonomy, and the ability of the operator to command and control the team. The paper extends the classic framework of levels of autonomy (LOA), to levels/hierarchy of autonomy characteristic of Groups (G-LOA), and uses it to determine new strategies for control. An UGVoriented command language (UGVL) is defined, and a mapping is performed from the human-friendly gesture-based HMRI into the UGVL. The UGVL is used to control a team of 3 robots, exploring the efficiency of different G-LOA; specifically, by (a) controlling each robot individually through the maze, (b) controlling a leader and cloning its controls to followers, and (c) controlling the entire group. Not surprisingly, commands at increased G-LOA lead to a faster traverse, yet a number of aspects are worth discussing in this context.

multi-robot control↗

NASA NTRS2002

Software Development for the Hobby-Eberly Telescope's Segment Alignment Maintenance System using LABView

The software development for an upgrade to the Hobby-Eberly Telescope (HET) was done in LABView. In order to improve the performance of the HET at the McDonald Observatory, a closed-loop system had to be implemented to keep the mirror segments aligned during periods of observation. The control system, called the Segment Alignment Maintenance System (SAMs), utilized inductive sensors to measure the relative motions of the mirror segments. Software was developed in LABView to tie the sensors, operator interface, and mirror-control motors together. Developing the software in LABView allowed the system to be flexible, understandable, and able to be modified by the end users. Since LABView is built using block diagrams, the software naturally followed the designed control system's block and flow diagrams, and individual software blocks could be easily verified. LABView's many built-in display routines allowed easy visualization of diagnostic and health-monitoring data during testing. Also, since LABView is a multi-platform software package, different programmers could develop the code remotely on various types of machines. LABView s ease of use facilitated rapid prototyping and field testing. There were some unanticipated difficulties in the software development, but the use of LABView as the software "language" for the development of SAMs contributed to the overall success of the project.

Hall, Drew P.↗

NASA NTRS2006

SOFTC: A Software Correlator for VLBI

SOFTC is an advanced software implementation of a signal correlator for very-long-baseline interferometry (VLBI) for measuring positions of natural celestial objects and distant spacecraft. Because of increases in processing speeds of general-purpose computers, software VLBI correlators have become viable alternatives to hardware ones. The input to SOFTC consists of digitized samples of raw VLBI-antenna received- signal voltages. Optionally, SOFTC also tracks calibration tones superimposed on the received signals. The outputs of SOFTC are (1) phases and amplitudes as functions of time and frequency for cross-correlated received signals and (2) phases and amplitudes as functions of time, station, and tone number for the calibration tones. SOFTC was created to be as accurate as possible, capable of processing essentially any VLBI data, pass strong debugging tests, have a simple user interface, and have no platform dependencies. SOFTC is written modularly in the C programming language. The great advantage of implementing a correlator in software, in contradistinction to hardware, is that it becomes relatively easy and much less expensive and time-consuming to adapt, modify, improve, and update the correlator.

Lowe, Stephen↗

NASA NTRS2011

Multidisciplinary Tool for Systems Analysis of Planetary Entry, Descent, and Landing

Systems analysis of a planetary entry (SAPE), descent, and landing (EDL) is a multidisciplinary activity in nature. SAPE improves the performance of the systems analysis team by automating and streamlining the process, and this improvement can reduce the errors that stem from manual data transfer among discipline experts. SAPE is a multidisciplinary tool for systems analysis of planetary EDL for Venus, Earth, Mars, Jupiter, Saturn, Uranus, Neptune, and Titan. It performs EDL systems analysis for any planet, operates cross-platform (i.e., Windows, Mac, and Linux operating systems), uses existing software components and open-source software to avoid software licensing issues, performs low-fidelity systems analysis in one hour on a computer that is comparable to an average laptop, and keeps discipline experts in the analysis loop. SAPE uses Python, a platform-independent, open-source language, for integration and for the user interface. Development has relied heavily on the object-oriented programming capabilities that are available in Python. Modules are provided to interface with commercial and government off-the-shelf software components (e.g., thermal protection systems and finite-element analysis). SAPE currently includes the following analysis modules: geometry, trajectory, aerodynamics, aerothermal, thermal protection system, and interface for structural sizing.

Samareh, Jamshid A.↗

DOE OSTI2025

A change language for ontologies and knowledge graphs

Ontologies and knowledge graphs (KGs) are general-purpose computable representations of some domain, such as human anatomy, and are frequently a crucial part of modern information systems. Most of these structures change over time, incorporating new knowledge or information that was previously missing. Managing these changes is a challenge, both in terms of communicating changes to users and providing mechanisms to make it easier for multiple stakeholders to contribute. To fill that need, we have created KGCL, the Knowledge Graph Change Language (https://github.com/INCATools/kgcl), a standard data model for describing changes to KGs and ontologies at a high level, and an accompanying human-readable Controlled Natural Language (CNL). This language serves two purposes: a curator can use it to request desired changes, and it can also be used to describe changes that have already happened, corresponding to the concepts of “apply patch” and “diff” commonly used for managing changes in text documents and computer programs. Another key feature of KGCL is that descriptions are at a high enough level to be useful and understood by a variety of stakeholders—e.g. ontology edits can be specified by commands like “add synonym ‘arm’ to ‘forelimb’” or “move ‘Parkinson disease’ under ‘neurodegenerative disease’.” We have also built a suite of tools for managing ontology changes. These include an automated agent that integrates with and monitors GitHub ontology repositories and applies any requested changes and a new component in the BioPortal ontology resource that allows users to make change requests directly from within the BioPortal user interface. Overall, the KGCL data model, its CNL, and associated tooling allow for easier management and processing of changes associated with the development of ontologies and KGs.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

DOE OSTI2025

RANGE: A robust adaptive nature-inspired global explorer of potential energy surfaces

With the growing demand for realistic representations of chemical structures and the advent of exascale computing, the intelligent sampling of potential energy surfaces and efficient identification of global minima have become more essential but also more feasible. Building on prior studies demonstrating the efficiency of the Artificial Bee Colony (ABC) swarm intelligence algorithm, we report a hybrid metaheuristic framework that integrates the adaptive exploration capabilities of ABC coupled with the exploitation strengths of genetic algorithms (GA) in a scalable, Python-based implementation. The resulting tool, RANGE (Robust Adaptive Nature-inspired Global Explorer), provides seamless interfaces to multiple potential energy evaluators, either directly or via widely used Python libraries, and is designed for high-performance computing environments. We describe the implementation details of RANGE and evaluate its performance, relative to ABC- or GA-alone based algorithms, on a variety of chemical systems, including molecular clusters and heterogeneous surfaces. In conclusion, our results demonstrate RANGE’s efficiency, robustness, and broad applicability in addressing challenging global optimization problems in computational chemistry and materials science.

Algorithms and data structure↗

DOE OSTI2026

matsim-agents v1.0

matsim-agents is a multi-agent AI framework for atomistic materials simulation and discovery. It orchestrates large language models (LLMs), machine-learned interatomic potentials (MLIPs), and DFT codes into a single agentic loop running on laptops and DOE leadership-class supercomputers. MULTI-AGENT ORCHESTRATION A LangGraph state machine with three nodes: a Planner that converts a natural-language research objective into structured tasks; an Executor that dispatches atomistic tools and loops until the queue is empty; and an Analyst that summarizes results into a human-readable report. State is checkpointed after every step and human-in-the-loop gates can be inserted at any edge. HYPOTHESIS-DRIVEN DISCOVERY CHAT An interactive REPL (matsim-agents chat) that couples LLM dialogue with atomistic simulation. Chemical formulas are automatically detected in conversation turns and trigger a full crystal-phase exploration: structure generation → relaxation → stability scoring → result injection back into the conversation, creating a closed hypothesis-refinement loop. CRYSTAL PHASE ENUMERATION Given a composition, the phase explorer enumerates prototypes by stoichiometry: elemental (fcc/bcc/hcp/sc/diamond), binary 1:1 (rocksalt/CsCl/zincblende/ wurtzite/fluorite/rutile), ternary 1:1:3 (cubic perovskite), ternary 1:2:4 (perovskite + spinel), quaternary 1:1:2:6 (Fm-3m double perovskite). 2-D prototypes (graphene, h-BN, MoS2 2H/1T) and multilayer stacking are also supported via --include-2d and --num-layers. SUPERCELL GENERATION AND SITE DECORATION Auto-tiling to a minimum atom count (--min-atoms), explicit NxNxN tiling (--supercell), symmetry-distinct site decorations (--n-orderings), and isotropic lattice-scale sweeps (--lattice-scales) for volume bracketing. MLFF RELAXATION AND STABILITY SCORING HydraGNN (multi-headed GNN) drives structure relaxation via ASE with FIRE, BFGS, or BFGSLineSearch. Stability output: delta-E/atom ranking across phases and a max-residual-force dynamical-stability proxy. Other MLIPs (MACE, NequIP, Orb) can be plugged in through the same interface. DFT BACKENDS Quantum ESPRESSO pw.x and VASP 6.6 are first-class labellers. Both have validated GPU builds and SLURM/PBS launchers for three DOE platforms: Frontier (AMD MI250X, ROCm), Aurora (Intel PVC, oneAPI), Perlmutter (NVIDIA A100, CUDA). QE produces ~100 binaries (pw.x, ph.x, epw.x, ...). VASP supports scf, relax, vc-relax, and vc-relax-shape run types. ACTIVE-LEARNING LOOP matsim-agents al run CONFIG.yaml drives an iterative HydraGNN-DFT loop: MD generates candidates → ensemble/MC-dropout uncertainty selects the most informative → DFT labels them in parallel inside one allocation → dataset grows → HydraGNN retrains → repeat. DFT backend is a single YAML toggle (dft.backend: vasp | qe). LLM-generated seed structures are supported (no curated POSCAR library needed). Config uses ${VAR}, ${VAR:-default}, ${VAR:?msg} shell-style substitution for cross-user/cross-site portability. LLM BACKENDS Ollama (local, default), vLLM (HPC multi-GPU serving), OpenAI, Anthropic, HuggingFace Transformers+Accelerate. Selected at runtime via flag or env var with no code changes. HPC PORTABILITY Same Python entry points run on Frontier (ROCm 7.2), Aurora (oneAPI), and Perlmutter (CUDA 12). DFT and ML stacks are never co-loaded in the same shell; they couple through the scheduler and filesystem. Advanced multi-node launchers (serve, discovery-chat, single-relaxation, active-learning, QE warm-start) are provided for all three platforms. CODABENCH COMPETITION BUNDLE A self-contained benchmark: 159 atomistic test structures across 11 material classes, 5 tasks (formation energy, forces, ML relaxation, AI-DFT relaxation, phase stability ranking), public/private leaderboard split (30/70), and four ready-to-run baselines: MACE-MP-0, HydraGNN, UMA, AllScAIP.

Lupo Pasini, Massimiliano [Oak Ridge National Labo↗

NASA NTRSDate not supplied

Rapid Spacecraft Payload Development: In-Orbit Demonstration of Flight Software Reuse, Scalability, and Dependability

As space mission design trends towards shared, multi-mission platforms and high-performance onboard computing architectures, the number of spacecraft launched into operation is also steadily rising. Through ridesharing, spacecraft miniaturization, and other cost-reduction measures, the barriers to space are lowering, resulting in compounded growth in the amount of flight software being deployed. To meet the needs of both the growing quantity and evolving nature of spacecraft, flight software design must accordingly adapt to support more efficient development, solutions to computational resource-sharing, and software reusability. This paper focuses on a software payload demonstrating several core technologies that improve the state-of-the-art in these identified areas. Launched into low-earth orbit in January 2022, our software payload was conceived, designed, and delivered in a span of merely two months. It was developed on top of the NASA core Flight System (cFS) framework and the Distributed Spacecraft Autonomy (DSA) Comm cFS application, which translates cFS software bus messages across a Data Distribution Service (DDS) network. The flight software, packaged in Linux container images, was deployed as one of 18 flight applications managed through the Unibap SpaceCloud Framework. The applications were run on a Unibap iX5-102 radiation-tolerant payload computer, hosted on the D-Orbit SCV-004 spacecraft as part of an ESA-sponsored in-orbit technology test. Our payload, referred to as the DSA D-Orbit software, demonstrates the reusability of the DSA Comm app in a substantially different context and purpose as its original mission. Comm’s original design goal was to reliably distribute messages between spacecraft swarms of arbitrary size and dynamic network topology. However, we leverage this same functionality to introduce redundancy and opportunistic parallel data processing in the context of a representative onboard image processing workload. This adaptive mission architecture was enabled in part by the SpaceCloud Framework’s use of container virtualization as the payload integration interface. By using a base container image with common high-level language runtimes and libraries, we were able to rapidly design, develop, and validate our image processing application without many of the technological barriers common to flight software development. We present details the goals, approach, results, and lessons learned through this technology demonstration experiment and contextualize those observations against present and future challenges in spacecraft software development.

computer programming↗

DOE OSTI2024

cclib 2.0: An updated architecture for interoperable computational chemistry

Interoperability in computational chemistry is elusive, impeded by the independent development of software packages and idiosyncratic nature of their output files. The cclib library was introduced in 2006 as an attempt to improve this situation by providing a consistent interface to the results of various quantum chemistry programs. The shared API across programs enabled by cclib has allowed users to focus on results as opposed to output and to combine data from multiple programs or develop generic downstream tools. Initial development, however, did not anticipate the rapid progress of computational capabilities, novel methods, and new programs; nor did it foresee the growing need for customizability. Here, we recount this history and present cclib 2, focused on extensibility and modularity. We also introduce recent design pivots—the formalization of cclib’s intermediate data representation as a tree-based structure, a new combinator-based parser organization, and parsed chemical properties as extensible objects.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗