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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

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DOE OSTI2024

Implementation of a realistic artificial data generator for crash data generation

In this paper, a framework is outlined to generate realistic artificial data (RAD) as a tool for comparing different models developed for safety analysis. The primary focus of transportation safety analysis is on identifying and quantifying the influence of factors contributing to traffic crash occurrence and its consequences. The current framework of comparing model structures using only observed data has limitations. With observed data, it is not possible to know how well the models mimic the true relationship between the dependent and independent variables. Further, real datasets do not allow researchers to evaluate the model performance for different levels of complexity of the dataset. RAD offers an innovative framework to address these limitations. Hence, we propose a RAD generation framework embedded with heterogeneous causal structures that generates crash data by considering crash occurrence as a trip level event impacted by trip level factors, demographics, roadway and vehicle attributes. Within our RAD generator we employ three specific modules: (a) disaggregate trip information generation, (b) crash data generation and (c) crash data aggregation. For disaggregate trip information generation, we employ a daily activity-travel realization for an urban region generated from an established activity-based model for the Chicago region. We use this data of more than 2 million daily trips to generate a subset of trips with crash data. For trips with crashes crash location, crash type, driver/vehicle characteristics, and crash severity. The daily RAD generation process is repeated for generating crash records at yearly or multi-year resolution. In conclusion, the crash databases generated can be employed to compare frequency models, severity models, crash type and various other dimensions by facility type - possibly establishing a universal benchmarking system for alternative model frameworks in safety literature.

42 ENGINEERING↗

NASA NTRS1978

Mapping ocean tides with satellites - A computer simulation

As a preliminary study for the future worldwide direct mapping of the open ocean tide with satellites equipped with precision altimeters we conducted a simulated study using sets of artificially generated altimeter data constructed from a realistic geoid and four pairs of major tides in the northeastern Pacific Ocean. Recovery of the original geoid and eight tidal maps is accomplished by a space-time, least squares harmonic analysis scheme. The resultant maps appear fairly satisfactory even when random noises up to + or - 100 cm are added to the altimeter data of sufficient space-time density. The method also produces a refined geoid which is rigorously corrected for the dynamic tides.

Won, I. J.↗

DOE OSTI2025

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↗

DOE OSTI2024

Generating synthetic signaling networks for in silico modeling studies

Predictive models of signaling pathways have proven to be difficult to develop. Reasons include the uncertainty in the number of species, the complexity in species’ interactions, and the sparseness and uncertainty in experimental data. Traditional approaches to developing mechanistic models rely on collecting experimental data and fitting a single model to that data. This approach works for simple systems but has proven unreliable for complex systems such as biological signaling networks. For example, uncertainty and sparseness of the data often result in overfitted models that have little predictive value beyond recapitulating the experimental data itself. Thus, there is a need to develop new approaches to create predictive mechanistic models of complex systems. However, to determine the effectiveness of any new algorithm, a baseline model is needed to test its performance. To meet this need, we developed a method for generating artificial synthetic networks that are reasonably realistic and thus can be treated as ground truth models. These synthetic models can then be used to generate synthetic data for developing and testing algorithms designed to recover the underlying network topology and associated parameters. Here, we describe a simple approach for generating synthetic signaling networks that can be used for this purpose.

42 ENGINEERING↗

DOE OSTI2024

Advancing set-conditional set generation: Diffusion models for fast simulation of reconstructed particles

The computational intensity of detector simulation and event reconstruction poses a significant difficulty for data analysis in collider experiments. This challenge inspires the continued development of machine learning techniques to serve as efficient surrogate models. We propose a fast emulation approach that combines simulation and reconstruction. In other words, a neural network generates a set of reconstructed objects conditioned on input particle sets. To make this possible, we advance set-conditional set generation with diffusion models. Using a realistic, generic, and public detector simulation and reconstruction package (COCOA), we show how diffusion models can accurately model the complex spectrum of reconstructed particles inside jets.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Connecting Minds: AI Use Cases to Bridge Power Systems and Large Language Models for Practical Applications

Recent advances in artificial intelligence (AI) and development of large language models (LLMs) present the opportunity to develop a new generation of power systems applications. In contrast with early power system AI applications based on structured numerical data, LLMs offer unique capabilities to perform logical reasoning using text documents, unstructured data, and application programming interface (API) calls to computational software. This paper seeks to bridge the knowledge gap between power systems engineers and LLM developers through a crosscutting explanation of use cases, characteristics, requirements, practical considerations from the perspectives of both LLM capabilities and industry needs. Specific focus is given to applications that can be realistically deployed by electric utilities. After introducing the architecture of LLMs and unique challenges of the power systems domain, this paper proposes twenty representative LLM applications grouped into categories of 1) power system operations, 2) asset management, 3) system planning and analytics, and 4) energy management and protection systems. Five use cases are presented within each category with descriptions of the motivation, objectives, approaches, example inputs / outputs, and benefits of each use case.

24 POWER TRANSMISSION AND DISTRIBUTION↗

NASA NTRS1994

Quantitative 3-D imaging topogrammetry for telemedicine applications

The technology to reliably transmit high-resolution visual imagery over short to medium distances in real time has led to the serious considerations of the use of telemedicine, telepresence, and telerobotics in the delivery of health care. These concepts may involve, and evolve toward: consultation from remote expert teaching centers; diagnosis; triage; real-time remote advice to the surgeon; and real-time remote surgical instrument manipulation (telerobotics with virtual reality). Further extrapolation leads to teledesign and telereplication of spare surgical parts through quantitative teleimaging of 3-D surfaces tied to CAD/CAM devices and an artificially intelligent archival data base of 'normal' shapes. The ability to generate 'topogrames' or 3-D surface numerical tables of coordinate values capable of creating computer-generated virtual holographic-like displays, machine part replication, and statistical diagnostic shape assessment is critical to the progression of telemedicine. Any virtual reality simulation will remain in 'video-game' realm until realistic dimensional and spatial relational inputs from real measurements in vivo during surgeries are added to an ever-growing statistical data archive. The challenges of managing and interpreting this 3-D data base, which would include radiographic and surface quantitative data, are considerable. As technology drives toward dynamic and continuous 3-D surface measurements, presenting millions of X, Y, Z data points per second of flexing, stretching, moving human organs, the knowledge base and interpretive capabilities of 'brilliant robots' to work as a surgeon's tireless assistants becomes imaginable. The brilliant robot would 'see' what the surgeon sees--and more, for the robot could quantify its 3-D sensing and would 'see' in a wider spectral range than humans, and could zoom its 'eyes' from the macro world to long-distance microscopy. Unerring robot hands could rapidly perform machine-aided suturing with precision micro-sewing machines, splice neural connections with laser welds, micro-bore through constricted vessels, and computer combine ultrasound, microradiography, and 3-D mini-borescopes to quickly assess and trace vascular problems in situ. The spatial relationships between organs, robotic arms, and end-effector diagnostic, manipulative, and surgical instruments would be constantly monitored by the robot 'brain' using inputs from its multiple 3-D quantitative 'eyes' remote sensing, as well as by contact and proximity force measuring devices. Methods to create accurate and quantitative 3-D topograms at continuous video data rates are described.

Altschuler, Bruce R.↗

DOE OSTI2026

Conditional diffusion machine-learning framework for mapping valence electron distribution from convergent beam electron diffraction

Quantitative convergent beam electron diffraction (CBED) enables determination of aspherical valence electron distributions through refinement of low-order structure factors, which are highly sensitive to chemical bonding and charge density variations. However, conventional quantitative CBED (QCBED) requires solving a highly nonlinear inverse problem with many coupled parameters, and computationally intensive dynamical diffraction calculations, making it time-consuming and difficult to apply to complex systems. More broadly, reconstructing charge density and orbital electron distribution from diffraction data has long been a central challenge in both x-ray and electron crystallography. Here, in this study, we introduce an artificial-intelligence (AI)-based framework that replaces traditional refinement with a data-driven inverse solver. Using a large synthetic CBED dataset generated by Bloch-wave simulations, we train a conditional diffusion model to directly infer crystal structural parameters and multipole density formalism parameters, and hence valence electron distributions, from CBED patterns alone. By learning from forward simulations across realistic parameter space, the model effectively solves the inverse problem. Compared with direct regression approaches, the diffusion-based framework provides posterior parameter distributions for rigorous uncertainty quantification while preserving quantitative fidelity and reducing analysis time by orders of magnitude. By eliminating the need for external single-crystal x-ray diffraction data and complex nonlinear refinement, this approach enables practical, high-throughput, and in situ quantitative CBED, enabling real-time mapping of valence electron distributions and their correlation with functional responses in quantum and energy materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1986

Euler solutions for high-speed flow about complex three-dimensional configurations

A numerical algorithm based on a finite-volume explicit scheme with Runge-Kutta time integration of the Euler equations is presented for calculating high-speed three-dimensional flow about complex aerospace configurations. The use of enhancing factors such as artificial dissipative terms, enthalpy damping and local time-stepping are described. An algebraic method for generating quasi-three-dimensional computational grids for realistic aerospace configurations is presented. Computed results for various three-dimensional bodies at different Mach numbers and angles of attack have been obtained using the methods for grid-generation and flow simulation. Comparison of computed and experimental data for an advanced tactical aircraft-like configuration is presented, and a reasonable agreement of the data is noticed.

Moitra, A.↗

DOE OSTI2025

Day-Ahead Probabilistic Forecasting of Net-Load and Demand Response Potentials with High Penetration of Behind-the-Meter Solar-plus-Storage

The goal of this project is to develop advanced methods for day-ahead net-load forecasting, by leveraging the state-of-the-art machine learning techniques. The developed models produce both point and probabilistic forecasts for a variety of use cases, and are versatile to work with different types of data sets. The innovation lies in the novel design of the architectures, leveraging the most recent advances in machine learning that have not been explored in power systems, accompanied by techniques in the broader artificial intelligence fields such as fuzzy systems. This project has achieved the following accomplishments: (1) preprocessing of over 10 data sets covering varying geographical regions, time horizons, and system levels, which form a robust foundation for training and evaluating forecasting models across a wide range of realistic grid scenarios; (2) development of an interactive web app that enables exploratory analysis of load and generation data, and supports better understanding of data trends, anomalies, and correlations, facilitating model development and stakeholder engagement; (3) implementation of over 10 benchmark models for point and probabilistic forecasting, which include a mix of conventional machine learning methods and state-of-the-art deep learning approaches, providing a comprehensive baseline for performance comparison and validation of the proposed models; (4) development of a fuzzy system based gradient boosting model, tailored for small (less than 3 years) data sets, which achieves a mean absolute percentage error (MAPE) of 4% for point forecasting and a 20% improvement in average pinball loss for probabilistic forecasting; (5) development of a Transformer (a state-of-the-art deep learning architecture) based neural network model, tailored for large (3 years or more) data sets, which achieves a MAPE of 2% for point forecasting and a 20% improvement in average pinball loss for probabilistic forecasting; (6) development of a methodology for quantifying DR potential, and extensions of the previous models for multi-target forecasting of net load and DR potential, which achieve a MAPE of 10% for DR potential.

24 POWER TRANSMISSION AND DISTRIBUTION↗

NASA NTRS1984

Status and prospects of computational fluid dynamics for unsteady transonic viscous flows

Applications of computational aerodynamics to aeronautical research, design, and analysis have increased rapidly over the past decade, and these applications offer significant benefits to aeroelasticians. The past developments are traced by means of a number of specific examples, and the trends are projected over the next several years. The crucial factors that limit the present capabilities for unsteady analyses are identified; they include computer speed and memory, algorithm and solution methods, grid generation, turbulence modeling, vortex modeling, data processing, and coupling of the aerodynamic and structural dynamic analyses. The prospects for overcoming these limitations are presented, and many improvements appear to be readily attainable. If so, a complete and reliable numerical simulation of the unsteady, transonic viscous flow around a realistic fighter aircraft configuration could become possible within the next decade. The possibilities of using artificial intelligence concepts to hasten the achievement of this goal are also discussed.

Mccroskey, W. J.↗

NASA NTRS1985

Status and prospects of computational fluid dynamics for unsteady transonic flow

Mccroskey, W. J.↗

NASA NTRS2007

V-Man Generation for 3-D Real Time Animation

The V-Man project has developed an intuitive authoring and intelligent system to create, animate, control and interact in real-time with a new generation of 3D virtual characters: The V-Men. It combines several innovative algorithms coming from Virtual Reality, Physical Simulation, Computer Vision, Robotics and Artificial Intelligence. Given a high-level task like "walk to that spot" or "get that object", a V-Man generates the complete animation required to accomplish the task. V-Men synthesise motion at runtime according to their environment, their task and their physical parameters, drawing upon its unique set of skills manufactured during the character creation. The key to the system is the automated creation of realistic V-Men, not requiring the expertise of an animator. It is based on real human data captured by 3D static and dynamic body scanners, which is then processed to generate firstly animatable body meshes, secondly 3D garments and finally skinned body meshes.

Nebel, Jean-Christophe↗

DOE OSTI2023

Hybrid Attack Graph Generation with Graph Convolutional Deep-Q Learning

Critical infrastructures such as power grids have become increasingly complex, connected, and vulnerable to adverse scenarios, including cyber and physical attacks and faults. Effective risk mitigation for such cyber-physical energy systems (CPES), requires preemptive knowledge of likely adversarial attack scenarios. Hybrid Attack Graph (HAG) is a structured way to represent an adversarial scenario as an attack sequence using a threat model. However, the scarcity of documented attack sequences hinders analysts and CPES planners’ ability to identify credible attack scenarios for a given CPES. We propose a data-driven Graph Convolutional Deep-Q Network (GCDQ) to address this data challenge through generating HAGs. By leveraging limited real-world observations from the MITRE ATT&CK knowledge base, our GCDQ model synthesizes realistic graphs with the targeted attribute of minimum detectability via reinforcement learning. This generative model is the first step in creating a tool to substantially boost the attack sequence dataset and enhance the performance of CPS defense-related tasks by providing insights into likely attack sequences with given attributes.

deep learning, artificial intelligence↗

NASA NTRS2014

Realistic Modeling of Multi-Scale MHD Dynamics of the Solar Atmosphere

Realistic 3D radiative MHD simulations open new perspectives for understanding the turbulent dynamics of the solar surface, its coupling to the atmosphere, and the physical mechanisms of generation and transport of non-thermal energy. Traditionally, plasma eruptions and wave phenomena in the solar atmosphere are modeled by prescribing artificial driving mechanisms using magnetic or gas pressure forces that might arise from magnetic field emergence or reconnection instabilities. In contrast, our 'ab initio' simulations provide a realistic description of solar dynamics naturally driven by solar energy flow. By simulating the upper convection zone and the solar atmosphere, we can investigate in detail the physical processes of turbulent magnetoconvection, generation and amplification of magnetic fields, excitation of MHD waves, and plasma eruptions. We present recent simulation results of the multi-scale dynamics of quiet-Sun regions, and energetic effects in the atmosphere and compare with observations. For the comparisons we calculate synthetic spectro-polarimetric data to model observational data of SDO, Hinode, and New Solar Telescope.

Realistic Modeling↗

NASA NTRS2007

Generating Scenarios When Data Are Missing

The Hypothetical Scenario Generator (HSG) is being developed in conjunction with other components of artificial-intelligence systems for automated diagnosis and prognosis of faults in spacecraft, aircraft, and other complex engineering systems. The HSG accepts, as input, possibly incomplete data on the current state of a system (see figure). The HSG models a potential fault scenario as an ordered disjunctive tree of conjunctive consequences, wherein the ordering is based upon the likelihood that a particular conjunctive path will be taken for the given set of inputs. The computation of likelihood is based partly on a numerical ranking of the degree of completeness of data with respect to satisfaction of the antecedent conditions of prognostic rules. The results from the HSG are then used by a model-based artificial- intelligence subsystem to predict realistic scenarios and states.

Mackey, Ryan↗

NASA NTRS1998

Three-Dimensional Hydrodynamic Simulations of the Postimpact Proto-Earth

Astrophysical fluid configurations are susceptible to a variety of nonaxisymmetric instabilities under the combined effects of rotation, self-gravity, and thermal pressure. When strong enough, they can induce rapid transport of mass and angular momentum. Our own previous studies of nonaxisymmetric instabilities in model protostars and protostellar disks show that significant transport can occur on orbital timescales and that material can be ejected to large distances. In this contribution, we present three-dimensional simulations of the circumterrestrial debris belt that may have resulted from a giant impact. Our three-dimensional hydrodynamics code with self-gravity and artificial viscosity is fully second-order in space and time; the equations of hydrodynamics and the Poisson equation are solved on an Eulerian cylindrical grid. In the preliminary calculations presented here, we use a simplified EOS where the central proto-Earth is treated as an n = 1/2 polytropic fluid, surrounded by a more compressible, rapidly rotating, fluid disk that represents silicate vapor. Our initial disk parameters are generated from the endstate data of recent smoothed particle hydrodynamics giant-impact calculations. Ultimately, we wish to detennine under what conditions nonaxisymmetric instabilities grow in the postimpact disk and whether they facilitate the transport of material outside the proto-Earth's Roche Limit, leading to the formation of the Moon. In future work, we hope to include a more realistic EOS and the consequences of heating, cooling, and phase transitions.

Pickett, B. K.↗

DOE OSTI2026

Control Room of the Future Testbed Workshop – After-Action Report

The U.S. Department of Energy’s Office of Electricity is supporting a one-year, multi-laboratory effort to define the needs and requirements for a Control Room of the Future testbed, or CROFT. The effort responds to increasing grid complexity driven by large new loads, dynamic generation resources, and the growing adoption of advanced technologies and tools, including artificial intelligence (AI) and machine learning (ML). To support safe, secure, and effective grid modernization, CROFT will focus on how emerging technologies and tools can be rigorously evaluated in realistic operational settings, with attention to human-machine interaction, cognitive load, and workforce readiness. The project team includes Argonne National Laboratory, Idaho National Laboratory, National Laboratory of the Rockies, and Pacific Northwest National Laboratory. As part of the scoping effort, the team conducted two industry-focused workshops: one at DTECH on February 5, 2026, informed by prior industry interviews, and a second on May 4, 2026, adjacent to IEEE T&D. These engagements brought together utilities, vendors, consultants, national laboratories, academia, and government stakeholders to identify and prioritize use cases, barriers, validation needs, data-sharing constraints, and near- and longer-term requirements. This feedback will directly inform CROFT’s architecture and research focus areas, ensuring the testbed is grounded in real-world operational needs and designed to evaluate emerging technologies and tools in realistic control-room environments.

artificial intelligence↗