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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Model-driven prediction for accelerator magnet diagnostics to improve operation reliability

Reliability is one of the most critical metrics for accelerator operation, especially in user facilities. To reduce costly facility downtime and provide an operational environment where system performance can be reliably predicted in support of scientific studies, we are developing a model-driven approach for prediction and anomaly detection. Here, in this study, we present the application of a model-driven method that employs a linear regression model to predict the future temperature, in real time, of accelerator magnets at the NSLS-II light source. This approach enables proactive identification of magnet-heating issues, facilitating magnet flushing prior to the occurrence of permanent damage without interrupting machine operation. The implementation of this method in the NSLS-II control room is described and the analysis of the online results is presented. The results demonstrate the model’s effectiveness in providing early alerts to engineers and improving the reliability of accelerator operations.

36 MATERIALS SCIENCE↗
DOE OSTI2024

MDLoader: A Hybrid Model-Driven Data Loader for Distributed Graph Neural Network Training

Scalable data management is essential for processing large scientific dataset on HPC platforms for distributed deep learning. In-memory distributed storage is preferred for its speed, enabling rapid, random, and frequent data access required by stochastic optimizers. Processes use one-sided or collective communication to fetch remote data, with optimal performance depending on (i) dataset characteristics, (ii) training scale, and (iii) interconnection network. Empirical analysis shows collective communication excels with larger mini-batch sizes and/or fewer processes, whereas one-sided communication outperforms at larger scales. We propose MDLoader, a hybrid in-memory data loader for distributed graph neural network training. MDLoader features a model-driven performance estimator that dynamically selects between one-sided and collective communication at the beginning of training using Tree of Parzen Estimators (TPE). Evaluations on NERSC Perlmutter and OLCF Summit show MDLoader outperforms single-backend loaders by up to 2.83 × and predicts the suitable communication method with 96.3% (Perlmutter) and 94.3% (Summit) success rate.

Bae, Jonghyun↗
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

A Kinetic Model-Driven Techno-Economic Analysis of Plastic Pyrolysis: Linking Process Dynamics to Economic Viability

This study employs a kinetic model integrated into Aspen Plus to predict pyrolysis product distribution under various conditions. A techno-economic assessment calculated the minimum selling price (MSP) of pyrolysis oil under different operating conditions for the baseline capacity of 100 kta, and across eight processing capacities ranging from 30 to 150 kta. The lowest MSP under the baseline capacity is estimated at $\$$420/ton, which is 33% lower than the 2023 average US crude oil price ($\$$74.6/bbl, equivalent to $\$$634/ton based on the density of pyrolysis oil). Under Monte Carlo simulation, accounting for variability in key economic and technical parameters, the mean MSP is estimated at $\$$1137/ton. The economic viability depends on feedstock price remaining below $\$$320/ton, defining the break-even feedstock price threshold. Sensitivity analysis further identifies capital investment and transportation cost as key economic drivers. Capacities beyond 90 kta show limited economies of scale benefits. Reducing product storage time cuts capital costs by 7% but raises operational risk. Uncertainty analysis suggests the economic feasibility of pyrolysis oil is unlikely to compete with crude oil without policy incentives.

petrochemicals↗
NASA NTRS1992

Model-driven mapping onto distributed memory parallel computers

The author addresses the problem of exploiting the parallelism available in a program to efficiently employ the resources of the target machine in the context of building a mapping compiler for a distributed memory parallel machine. He demonstrates the effectiveness of using execution models to select the best mapping technique from among those available for a given program segment on a particular machine. Through analysis of the execution models for several mapping techniques for one class of programs on a linear processor array, it is shown that selecting the best technique for a particular program instance can make a significant difference in performance. On the other hand, the results of benchmarks from a mapping compiler for the Warp systolic array machine show that the execution models considered are accurate enough to select the best mapping technique for a given program.

Sussman, Alan↗
NASA NTRS1994

Object-oriented model-driven control

A monitoring and control subsystem architecture has been developed that capitalizes on the use of modeldriven monitoring and predictive control, knowledge-based data representation, and artificial reasoning in an operator support mode. We have developed an object-oriented model of a Controlled Ecological Life Support System (CELSS). The model based on the NASA Kennedy Space Center CELSS breadboard data, tracks carbon, hydrogen, and oxygen, carbodioxide, and water. It estimates and tracks resorce-related parameters such as mass, energy, and manpower measurements such as growing area required for balance. We are developing an interface with the breadboard systems that is compatible with artificial reasoning. Initial work is being done on use of expert systems and user interface development. This paper presents an approach to defining universally applicable CELSS monitor and control issues, and implementing appropriate monitor and control capability for a particular instance: the KSC CELSS Breadboard Facility.

Drysdale, A.↗
NASA NTRS2004

Combining Model-driven and Schema-based Program Synthesis

We describe ongoing work which aims to extend the schema-based program synthesis paradigm with explicit models. In this context, schemas can be considered as model-to-model transformations. The combination of schemas with explicit models offers a number of advantages, namely, that building synthesis systems becomes much easier since the models can be used in verification and in adaptation of the synthesis systems. We illustrate our approach using an example from signal processing.

Denney, Ewen↗
NASA NTRS2003

Model-driven software verification

In this paper we explore a different approach to software verification. With this approach, a software application can be included, without substantial change, into a verification test-harness and then verified directly, while presearving the ability to apply data abstraction techniques. Only the test-harness is written in the language of the model checker.

software verification↗
DOE OSTI2025

Experiment-modeling studies comparing energy dissipation in the DIII-D SAS and SAS-VW divertors

Recent DIII-D experiments on Small Angle Slot (SAS) divertors have confirmed that a combination of divertor closure and target shaping can enhance cooling across the divertor target and increase energy dissipation, but with significant dependence on B T (toroidal magnetic field) direction. In these novel divertors, the roles of closure, target shaping, drifts, and scale lengths are all interconnected in optimizing dissipation, with the separatrix electron density n eSEP being the key parameter associated with the level of dissipation/detachment. After modifying the original flat-targeted graphite SAS to include a V shape with a tungsten coating on the outer side of the divertor (SAS-VW), matched series of discharges were run to compare to detailed SOLPS-ITER modeling. Experimentally, when run as designed with the outer strike point at the slot vertex, SAS-VW requires nearly identical n eSEP for detachment as the original SAS, with little difference in dissipation for the new geometry. This is in contrast to (1) earlier modeling predictions that a small change of the SAS geometry to a V shape should enhance dissipation at the same n eSEP for magnetic configurations having better H-mode access (ion B × ∇B drift directed into the divertor), and (2) despite the achievement of significantly higher (2-7x) neutral pressures and compression in the SAS-VW slot. Comparisons of experimental density scans to the most recent SOLPS-ITER modeling with ExB drifts show reasonable agreement for dissipation/detachment onset when using separatrix density as the independent parameter. In order to help understand the discrepancy in modeled vs actual performance for the new configuration, additional measurements varying gas injection location and impurity injection were undertaken. In-slot D 2 gas fueling is more effective (5–22 %) in promoting detachment, in accord with modeling. In-slot impurity injection (N 2 or Ne) can yield 30 % lower core Z eff and 15 % less confinement degradation after detachment compared to main chamber puffing, as well as relatively lower tungsten leakage from the divertor. Modeling can also reproduce the improved detachment seen as the strike point moves inboard of the slot vertex. While we can explain the effects of the most important parameters causing energy dissipation in these slot divertors, it remains that many aspects of their behavior cannot be accurately modeled using state-of-art codes such as SOLPS-ITER. This is of concern for future model-driven designs utilizing similar V-shaped geometries.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
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)↗
DOE OSTI2025

Greedy emulators for nuclear two-body scattering

Applications of reduced basis method emulators are increasing in low-energy nuclear physics because they enable fast and accurate sampling of high-fidelity calculations, enabling robust uncertainty quantification. Here, in this paper, we develop, implement, and test two model-driven emulators based on the (Petrov-)Galerkin projection using the prototypical test case of two-body scattering with the Minnesota potential and a more realistic local chiral potential. The high-fidelity scattering equations are solved with the matrix Numerov method, a reformulation of the popular Numerov recurrence relation for solving special second-order differential equations as a linear system of coupled equations. A novel error estimator based on reduced-space residuals is applied to an active learning approach (a greedy algorithm) to choosing training samples (“snapshots”) for the emulator and contrasted with a proper orthogonal decomposition (POD) approach. Both approaches allow for computationally efficient offline-online decompositions, but the greedy approach requires many fewer snapshot calculations. These developments set the groundwork for emulating scattering observables based on chiral nucleon-nucleon and three-nucleon interactions and optical models, where computational speed-ups are necessary for Bayesian uncertainty quantification. Our emulators and error estimators are widely applicable to linear systems.

Bayesian methods↗
NASA NTRS1987

Electronic prototyping

The potential benefits of automation in space are significant. The science base needed to support this automation not only will help control costs and reduce lead-time in the earth-based design and construction of space stations, but also will advance the nation's capability for computer design, simulation, testing, and debugging of sophisticated objects electronically. Progress in automation will require the ability to electronically represent, reason about, and manipulate objects. Discussed here is the development of representations, languages, editors, and model-driven simulation systems to support electronic prototyping. In particular, it identifies areas where basic research is needed before further progress can be made.

Hopcroft, J.↗
NASA NTRS1994

The use of interactive computer vision and robot hand controllers for enhancing manufacturing safety

Current available robotic systems provide limited support for CAD-based model-driven visualization, sensing algorithm development and integration, and automated graphical planning systems. This paper describes ongoing work which provides the functionality necessary to apply advanced robotics to automated manufacturing and assembly operations. An interface has been built which incorporates 6-DOF tactile manipulation, displays for three dimensional graphical models, and automated tracking functions which depend on automated machine vision. A set of tools for single and multiple focal plane sensor image processing and understanding has been demonstrated which utilizes object recognition models. The resulting tool will enable sensing and planning from computationally simple graphical objects. A synergistic interplay between human and operator vision is created from programmable feedback received from the controller. This approach can be used as the basis for implementing enhanced safety in automated robotics manufacturing, assembly, repair and inspection tasks in both ground and space applications. Thus, an interactive capability has been developed to match the modeled environment to the real task environment for safe and predictable task execution.

Marzwell, Neville I.↗
NASA NTRS1993

CD volume design and verification

In this paper, we describe a prototype for CD-ROM volume design and verification. This prototype allows users to create their own model of CD volumes by modifying a prototypical model. Rule-based verification of the test volumes can then be performed later on against the volume definition. This working prototype has proven the concept of model-driven rule-based design and verification for large quantity of data. The model defined for the CD-ROM volumes becomes a data model as well as an executable specification.

Li, Y. P.↗
NASA NTRS2001

Properties of the Water Column and Bottom Derived from AVIRIS Data

Using AVIRIS data as an example, we show in this study that the optical properties of the water column and bottom of a large, shallow area can be adequately retrieved using a model-driven optimization technique. The simultaneously derived properties include bottom depth, bottom albedo, and water absorption and backscattering coefficients, which in turn could be used to derive concentrations of chlorophyll, dissolved organic matter, and suspended sediments. The derived bottom depths were compared with a bathymetry chart and a boat survey and were found to agree very well. Also, the derived bottom-albedo image shows clear spatial patterns, with end members consistent with sand and seagrass. The image of absorption and backscattering coefficients indicates that the water is quite horizontally mixed. These results suggest that the model and approach used work very well for the retrieval of sub-surface properties of shallow-water environments even for rather turbid environments like Tampa Bay, Florida.

Lee, Zhong-Ping↗