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Results for “Model-driven development”

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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27 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Digital Twin for Chemical Science (DTCS) v0.01

Directly visualizing the trajectories of chemistry can unravel novel insights into the behavior of catalysts, gas phase reactions, photo-induced dynamics, and building blocks for quantum information processing. The ability of explicitly identifying, tracking, and tagging the exchange of matter, hence the annihilation and creation of new chemical species, can be best realized through a close coupling of theory and experiment. While the synchrotron-based characterization facilities propelled rapidly in its hardware, providing higher brightness, better resolution, and more precision, the software infrastructure is lagging. We developed DTCS (Digital Twin for Chemical Science) v.01, a central platform that faithfully mimics advanced instrumentations in Scientific User Facilities, by solving a variety of technical challenges in data acquisition, analysis, and model-driven interpretation. Rooted in physics and accelerated by AI, we validated this concept by direct comparison with precise experimental X-ray Photoelectron Spectroscopy (XPS) observations using a ubiquitous metal-water interfacial scenario, i.e., Ag/H2O as our main narrative. The DTCS v.01 input mirrors how the bench chemists work, with the output directly linked to the end station computer, thereby providing a user-friendly, knowledge-driven, and accessible user experience with mechanistic insights standardized in a way that are ready to be published, versioned, and transferred flexibly.

Qian, Jin↗
DOE OSTI2025

Large language model-driven database for thermoelectric materials

Thermoelectric materials have the ability to convert waste heat into electricity, offering a valuable solution for energy harvesting. However, their widespread use is hindered by low conversion efficiency, the reliance on expensive rare earth elements, and the environmental and regulatory concerns associated with lead-based materials. A fast and cost-effective way to identify highly efficient thermoelectric materials is through data-driven methods. These approaches rely on robust and comprehensive datasets to train models. Although there are several databases on thermoelectric materials, there is still a need to collect and integrate experimental data from peer-reviewed research articles to capture diverse compositions and properties of materials. Here, in this work, we developed a comprehensive database of 7,123 thermoelectric compounds, containing key information such as chemical composition, structural detail, seebeck coefficient, electrical and thermal conductivity, power factor, and figure of merit (ZT). We used the GPTArticleExtractor workflow, powered by large language models (LLM), to extract and curate data automatically from the scientific literature published in Elsevier journals. This process enabled the creation of a structured database that addresses the challenges of manual data collection. The open access database could stimulate data-driven research and advance thermoelectric material analysis and discovery.

Database↗
DOE OSTI2026

An agentic artificially intelligent X-ray scientist

Executing experimental tasks in both normal research laboratories and large-scale scientific facilities often requires extensive human supervision and remains a key challenge on the path to fully autonomous, artificial intelligence (AI)-driven science. Here we demonstrate a large language model-driven agent that autonomously performs X-ray sample alignment on a synchrotron beamline by planning actions, executing instrumental commands, interpreting observations and iterating towards experimental goals. Based on existing large language models with structured tool-use via the model context protocol, our AI X-ray scientist was guided and tested using an in-house-built virtual experimental setup that mirrors a six-circle diffractometer at an operational synchrotron beamline. The agentic workflow developed in the virtual environment was directly deployed on a real beamline, where it correctly identified reference reflections and determined the orientation matrix, an essential first step in any type of single-crystal scattering experiment. Our AI X-ray scientist responded effectively to unexpected experimental conditions, demonstrating adaptive problem-solving and readiness for addressing practical experimental situations. Our study provides a step towards autonomous operation across diverse experimental environments at large-scale scattering facilities.

Chen, Zhantao (ORCID:0000000319543868)↗
NASA NTRS2011

Miniature, Low-Power, Waveguide Based Infrared Fourier Transform Spectrometer for Spacecraft Remote Sensing

Fourier transform spectrometers have a venerable heritage as flight instruments. However, obtaining an accurate spectrum exacts a penalty in instrument mass and power requirements. Recent advances in a broad class of non-scanning Fourier transform spectrometer (FTS) devices, generally called spatial heterodyne spectrometers, offer distinct advantages as flight optimized systems. We are developing a miniaturized system that employs photonics lightwave circuit principles and functions as an FTS operating in the 7-14 micrometer spectral region. The inteferogram is constructed from an ensemble of Mach-Zehnder interferometers with path length differences calibrated to mimic scan mirror sample positions of a classic Michelson type FTS. One potential long-term application of this technology in low cost planetary missions is the concept of a self-contained sensor system. We are developing a systems architecture concept for wide area in situ and remote monitoring of characteristic properties that are of scientific interest. The system will be based on wavelength- and resolution-independent spectroscopic sensors for studying atmospheric and surface chemistry, physics, and mineralogy. The self-contained sensor network is based on our concept of an Addressable Photonics Cube (APC) which has real-time flexibility and broad science applications. It is envisaged that a spatially distributed autonomous sensor web concept that integrates multiple APCs will be reactive and dynamically driven. The network is designed to respond in an event- or model-driven manner or reconfigured as needed.

Hewagama, TIlak↗
NASA NTRS2014

A Model-Driven Visualization Tool for Use with Model-Based Systems Engineering Projects

Model-Based Systems Engineering (MBSE) promotes increased consistency between a system's design and its design documentation through the use of an object-oriented system model. The creation of this system model facilitates data presentation by providing a mechanism from which information can be extracted by automated manipulation of model content. Existing MBSE tools enable model creation, but are often too complex for the unfamiliar model viewer to easily use. These tools do not yet provide many opportunities for easing into the development and use of a system model when system design documentation already exists. This study creates a Systems Modeling Language (SysML) Document Traceability Framework (SDTF) for integrating design documentation with a system model, and develops an Interactive Visualization Engine for SysML Tools (InVEST), that exports consistent, clear, and concise views of SysML model data. These exported views are each meaningful to a variety of project stakeholders with differing subjects of concern and depth of technical involvement. InVEST allows a model user to generate multiple views and reports from a MBSE model, including wiki pages and interactive visualizations of data. System data can also be filtered to present only the information relevant to the particular stakeholder, resulting in a view that is both consistent with the larger system model and other model views. Viewing the relationships between system artifacts and documentation, and filtering through data to see specialized views improves the value of the system as a whole, as data becomes information

relational databases↗
NASA NTRS2019

Application of Machine Learning Techniques to Aviation Operations: Promises and Challenges

There is an increasing interest in applying methods based on Machine Learning Techniques (MLT) to problems in aviation operations. The current interest is based on developments in Cloud Computing, the availability of open software and the success of MLT in automation, consumer behavior and finance involving large database. This paper reviews the current-state-of-the art in applying MLT to aviation operations, its promises and challenges. Historically aviation operations have been analyzed using physics-based models and provide information for making operational decisions. This paper compares the methodology used in and issues to be addressed in applying either model-driven or data-driven methods. Some aviation operations involving many decision makers, multiple objectives, poor or unavailable physics-based models and a rich historical database are prime candidates for data-driven methods. The application of MLT to aviation operations falls into three categories: (a) based on the lack of a physics-based model, MLT is the favored approach, (b) marginal difference between regression methods using physics-based models and MLT and (c) better results using a blend of physics-based methods combined with MLT. As always, the best approach depends on the task, the physical understanding of the problem and the quality and quantity of the available data.

Sridhar, Banavar↗
NASA NTRS2020

Observations on the Application of Machine Learning Techniques to Aviation Operations

There is an increasing interest in applying methods based on Machine Learning Techniques (MLT) to problems in aviation operations. The current interest is based on developments in Cloud Computing, the availability of open software and the success of MLT in automation, consumer behavior and finance involving large database. Historically aviation operations have been analyzed using physics-based models and provide information for making operational decisions. This talk describes issues to be addressed in applying either model-driven or data-driven methods. Aviation operations involving many decision makers, multiple objectives, poor or unavailable physics-based models and a rich historical database are prime candidates for analysis using data-driven methods. The issues are illustrated by a detailed example and summary of current research in the area. The application of MLT to aviation operations falls into two categories: (a) based on the lack of a physics-based model, MLT is the favored approach and (b) marginal difference between regression methods using physics-based models and MLT. Further research is needed in the selection of MLT to critical aviation operations. As always, the best approach depends on the task, the physical understanding of the problem and the quality and quantity of the available data.

Sridhar, Banavar↗
NASA NTRS2020

Application of Machine Learning Techniques to Aviation Operations: A Case Study

There is an increasing interest in applying methods based on Machine Learning Techniques (MLT) to problems in aviation operations. The current interest is based on developments in Cloud Computing, the availability of open software and the success of MLT in automation, consumer behavior and finance involving large database. Historically aviation operations have been analyzed using physics-based models and provide information for making operational decisions. This talk describes issues to be addressed in applying either model-driven or data-driven methods. Aviation operations involving many decision makers, multiple objectives, poor or unavailable physics-based models and a rich historical database are prime candidates for analysis using data-driven methods. The issues are illustrated by a detailed example and summary of current research in the area. The application of MLT to aviation operations falls into two categories 58; (a) based on the lack of a physics-based model, MLT is the favored approach and (b) marginal difference between regression methods using physics-based models and MLT. Further research is needed in the selection of MLT to critical aviation operations. As always, the best approach depends on the task, the physical understanding of the problem and the quality and quantity of the available data.

Sridhar, Banavar↗
NASA NTRS2020

Application of Machine Learning Techniques to Aviation Operations: NASA Case Studies

There is an increasing interest in applying methods based on Machine Learning Techniques(MLT) to problems in aviation operations. The current interest is based on developments in Cloud Computing, the availability of open software and the success of MLT in automation, consumer behavior and finance involving large database. Historically aviation operations have been analyzed using physics-based models and provide information for making operational decisions. This talk describes issues to be addressed in applying either model-driven or data-driven methods. Aviation operations involving many decision makers, multiple objectives, poor or unavailable physics-based models and a rich historical database are prime candidates for analysis using data-driven methods. The issues relating to data, feature selection and validation of the models are illustrated by examining case studies of the application of MLT to problems in air traffic management at NASA. Further research is needed in the application of MLT to critical aviation operations. As always, the best approach depends on the task, the physical understanding of the problem and the quality and quantity of the available data.

Sridhar, Banavar↗