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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 73 records · Page 4

A Mass Conservation Relaxed (MCR) LSTM Model for Streamflow Simulation Across CONUS

The recent development of the physics-aware Mass-Conserving Long Short-Term Memory network (MC-LSTM) provides an alternative to other data-driven Deep Learning (DL) models in hydrology. Mass-Conserving Long Short-Term Memory incorporates mass conservation directly into the LSTM architecture. Despite the theoretical advancements, studies have reported a surprisingly limited performance of the MC-LSTM in streamflow simulation. We hypothesize that such a limitation is due to the unrealistic mass conservation scheme in MC-LSTM, which overlooks unobserved incoming water fluxes beyond precipitation. As an attempt to verify this hypothesis, we propose a Mass Conservation Relaxed LSTM (MCR-LSTM), which incorporates a bi-directional mass relaxation (MR) component to account for potential incoming water fluxes beyond precipitation. We train and test the proposed MCR-LSTM model across 531 watersheds in the contiguous United States (CONUS) against three baseline models: the Sacramento Soil Moisture Accounting, LSTM, and MC-LSTM. Our results show that MCR-LSTM outperforms MC-LSTM despite its underperformance compared to LSTM. Specifically, MCR-LSTM's advantage over MC-LSTM is mainly seen in the Plains and Western U.S., where the newly incorporated MR component better simulates water loss and suggests the likely existence of additional incoming water fluxes beyond precipitation, respectively. The novelty and contribution of this study are twofold: firstly, it introduces an alternative physics-aware DL tool (i.e., MCR-LSTM) in hydrology with higher accuracy in specific regions compared to MC-LSTM. Secondly, it provides a diagnosis of regions where strict, precipitation-based mass conservation constraints may be unrealistic in streamflow simulation.

deep learning

Evaluation of data driven low-rank matrix factorization for accelerated solutions of the Vlasov equation

Low-rank methods have shown success in accelerating simulations of a collisionless plasma described by the Vlasov equation, but still rely on computationally costly linear algebra every time step. We propose a data-driven factorization method using artificial neural networks, specifically with convolutional layer architecture, that trains on existing simulation data. At inference time, the model outputs a low-rank decomposition of the distribution field of the charged particles, and we demonstrate that this step is faster than the standard linear algebra technique. Numerical experiments show that the method achieves comparable reconstruction accuracy for interpolation tasks, generalizing to unseen test data in a manner beyond just memorizing training data; patterns in factorization also inherently followed the same numerical trend as those within algebraic methods (e.g., truncated singular-value decomposition). However, when training on the first 70% of a time-series data and testing on the remaining 30%, the method fails to meaningfully extrapolate. Despite this limiting result, the technique may have benefits for simulations in a statistical steady-state or otherwise showing temporal stability. These results suggest that while the model offers a computationally efficient alternative for datasets with temporal stability, its current formulation is best suited for interpolation rather than for predicting future states in time-evolving systems. This study thus lays the groundwork for further refinement of neural network-based approaches to low-rank matrix factorization in high-dimensional plasma simulations.

97 MATHEMATICS AND COMPUTING

Physics vs structure: A systematic benchmark of learning strategies for multi-zone building thermal dynamics

Recent advances in physics-informed and data-driven machine learning promise improved thermal models for advanced building control, yet there is limited quantitative evidence on when added physics structure and architectural complexity are beneficial. Here, this work presents a systematic benchmark of five representative system identification methods for modeling multi-zone building thermal dynamics: linear state-space models, multi-layer perceptrons, neural state-space models, neural ordinary differential equations, and physically-consistent neural networks. The methods are evaluated across multiple data regimes and zone coupling strategies. Using a high-fidelity multi-zone commercial building emulator, we examine short-term and long-term prediction accuracy, computational efficiency, and ease of development. Our results reveal critical trade-offs between prediction performance, model complexity, and physical consistency. We demonstrate that decoupled, nonlinear black-box models consistently outperform coupled physics-constrained architectures in both predictive accuracy and out-of-distribution robustness in majority of the test cases for the building type considered in the study. Our findings quantify the cost of complexity in building thermal modeling and provide concrete, actionable, scenario-based guidelines for selecting model classes for control-oriented applications.

Building thermal modeling

Real-Time MENTAT programming language and architecture

Real-time MENTAT, a programming environment designed to simplify the task of programming real-time applications in distributed and parallel environments, is described. It is based on the same data-driven computation model and object-oriented programming paradigm as MENTAT. It provides an easy-to-use mechanism to exploit parallelism, language constructs for the expression and enforcement of timing constraints, and run-time support for scheduling and exciting real-time programs. The real-time MENTAT programming language is an extended C++. The extensions are added to facilitate automatic detection of data flow and generation of data flow graphs, to express the timing constraints of individual granules of computation, and to provide scheduling directives for the runtime system. A high-level view of the real-time MENTAT system architecture and programming language constructs is provided.

Grimshaw, Andrew S.

International Space Station Electric Power System Performance Code-SPACE

The System Power Analysis for Capability Evaluation (SPACE) software analyzes and predicts the minute-by-minute state of the International Space Station (ISS) electrical power system (EPS) for upcoming missions as well as EPS power generation capacity as a function of ISS configuration and orbital conditions. In order to complete the Certification of Flight Readiness (CoFR) process in which the mission is certified for flight each ISS System must thoroughly assess every proposed mission to verify that the system will support the planned mission operations; SPACE is the sole tool used to conduct these assessments for the power system capability. SPACE is an integrated power system model that incorporates a variety of modules tied together with integration routines and graphical output. The modules include orbit mechanics, solar array pointing/shadowing/thermal and electrical, battery performance, and power management and distribution performance. These modules are tightly integrated within a flexible architecture featuring data-file-driven configurations, source- or load-driven operation, and event scripting. SPACE also predicts the amount of power available for a given system configuration, spacecraft orientation, solar-array-pointing conditions, orbit, and the like. In the source-driven mode, the model must assure that energy balance is achieved, meaning that energy removed from the batteries must be restored (or balanced) each and every orbit. This entails an optimization scheme to ensure that energy balance is maintained without violating any other constraints.

Hojnicki, Jeffrey

AI-Enhanced Computational Tools for Entry Systems Modeling

To advance the understanding of complex atmospheric entry phenomena, NASA’s Entry Systems Modeling (ESM) team [1] has developed high-fidelity computational tools addressing multiscale challenges, from material microstructures to full-scale heatshield response. This abstract highlights a subset of ESM tools, focusing on AI integration to enhance workflows and predictive modeling. - PuMA [2] computes effective material properties from high-resolution micro-CT scans, supporting TPS analysis for NASA missions. - TomoSAM [3] automates 3D tomography dataset segmentation for PuMA using the Segment Anything Model, reducing manual effort and improving accuracy. - PATO [4] models porous reactive materials under extreme conditions, with advancements such as unified solvers, mechanical erosion, and TPS coatings for NASA missions. - arcjetCV [5] employs deep learning to analyze arc jet test footage, measuring recession rates, shape changes, and shock standoff distances, bridging simulations, and experiments to reveal TPS ablation behavior. - ARCHeS [6] simulates arc heater plasma flows, modeling turbulence, radiation, and electromagnetic interactions to optimize arc heater performance, validate TPS under extreme conditions, and serve as a foundation for developing digital twins of arc heater facilities. - SPARTA [7] simulates rarefied hypersonic flows and gas-surface interactions for planetary entry missions, leveraging GPU architectures for scalable and efficient aerothermal and ablation analyses. AI-driven solutions, such as deep learning segmentation, have streamlined workflows in ESM tools and still hold significant potential to further accelerate processes and enhance automation in entry systems modeling. [1] Haskins, J.B. (2023), [2] Ferguson, J.C. (2018), [3] Meurisse, J.B.E. (2018), [4] Semeraro, F. (2023), [5] Quintart, A. (2024) [6] Meurisse, J.B.E. (2022), [7] Plimpton, S.J. (2019)

Predictive Modeling

Aerocapture at Saturn

The feasibility and benefits of using aerocapture for orbit insertion in the Saturn atmosphere are assessed in the context of existing technologies and likely science mission architectures in the Saturn system. We model aerocapture in-atmosphere flight performance in the presence of expected day-of-flight uncertainties, including those driven by limited knowledge of Saturn, to determine aerocapture flight system needs. We assess the impact of aerocapture on overall mission design for future science missions by including aerocapture in an end-to-end mission design and optimization scheme. Results indicate that aerocapture may feasible and beneficial with limited-to-no technology investment for missions designed to address near-term science priorities in the Saturn system.

Aerocapture

Model-free stabilization via Extremum Seeking using a cost neural estimator

In this paper, a fully model-free architecture for vertical stabilization of thermonuclear plasmas in tokamak experimental reactors is presented. For the first time, an Extremum Seeking control algorithm is combined with neural networks to estimate the Lyapunov function to be minimized, resulting in a fully data-driven control architecture. The performance of different neural networks are compared. Specifically, Multilayer Perceptrons and Extreme Learning Machines are considered. The proposed architecture is tested in simulation to show that it can counteract relevant plasma disturbances, resulting in a significant improvement in terms of the achievable operative space compared to the Extremum Seeking algorithm, which still relies on model-based cost estimator.

42 ENGINEERING

Dual Context: Leveraging Structured Application Context for Code Generation and Runtime Feature Activation via Chat Interfaces

Integrating artificial intelligence (AI) capabilities into software applications typically involves two common paths. For developers, AI assists in generating and documenting source code and other related software engineering efforts. For users, AI assists them through question-and-answer exchanges via chatbots. Both approaches have their value, but neither effectively leverages the modularity of component-based architectures that modern web application frameworks offer. We implement a proof of concept within a centralized suite of applications used for the Atmospheric Radiation Measurement (ARM) Data Center Operational Tools, where we introduce a third integration path through the ARM Context Engine (ACE). ACE is a context driven system that uses structured contextual specifications to enable Large Language Models (LLMs) to render interactive and feature-rich user interface (UI) components directly within chat responses, alongside or in place of conventional text outputs. These specifications serve two important purposes across what we call code context and UI context. Code context provides AI-assisted development tools with structured application knowledge beyond raw code, including component relationships, architectural patterns and schematic information, enabling the generation of consistent, well-structured code. UI context defines the rules for enabling and rendering component features at runtime based on the user's natural language input, allowing end users to activate capabilities such as data export, filtering, and pagination within chat responses, without requiring code changes or redeployment. We demonstrate, through a comparative evaluation against general-purpose AI chatbots, that context-driven component rendering provides interactive capabilities that text-based responses cannot replicate, including deterministic component behavior, application-consistent design language, and on-demand feature activation. A development effort comparison further shows that features that traditionally require multi-step development cycles can be activated with a single naturallanguage request. In this ongoing work, we present ACE as an emerging approach to AI integration that positions modular, well-documented software architecture as the foundation for AI-ready applications. ACE treats context as a shared resource across both development and user-facing AI, bringing cohesion to conventionally disconnected efforts, bridging developer tooling and end-user capabilities within a single framework.

Tadimeti, Vijay [ORNL]

Active Learning of Microgrid Frequency Dynamics Using Neural Ordinary Differential Equations

Accurate frequency modelling of inverter‐based resource (IBR)‐dominated power systems is crucial for ensuring stable, reliable and resilient operations, particularly given their inherent low‐inertia characteristics and fast dynamics that traditional swing equation‐based models inadequately capture. This paper explores neural ordinary differential equations (Neural ODEs) as a computationally efficient, data‐driven framework for modelling power system frequency dynamics, specifically within microgrids integrating high penetrations of distributed energy resources (DERs). The developed neural ODEs framework incorporates a neural network architecture designed to capture input dynamics. By actively perturbing the system with a known signal, the Python‐based neural ODEs framework was trained using measured system states and inputs, without the need for detailed system information. The framework, tested on a model of the Cordova, AK, microgrid, achieved a goodness of fit ranging from 60% to 99% across different state variables and maintained a mean square error in the 10 -6 p.u. range under square and step excitation signals. The proposed approach demonstrated robustness to measurement noise and initial condition variations while maintaining low computational complexity suitable for real‐time power system control applications. Furthermore, transfer learning enabled the neural ODEs model to adapt to the following changes in system topology or generator dispatch, highlighting its effectiveness for dynamic microgrids with frequently evolving configurations and diverse DERs.

Aryal, Tara [South Dakota State Univ., Brookings,

GRinding Automated Classification Engine

This work is an ML-driven framework for automated surface analysis of microscopy images. We create a training dataset by imaging stainless steel samples to benchmark four developed deep neural network architectures. These models, based on a YOLOv8n-cls backend, integrate image features and process metadata using various fusion methods to distinguish between acceptable and unacceptable surface finishes. This code is associated with publication "Classifying Alloy Surface Preparation Quality with Metadata-Infused Machine Learning for Rapid Alloy Discovery" for project APEX LDRD-ER (25-ERD-039)

Gongora, AldairE [Lawrence Livermore National Labo

Synthetic Scientific Image Generation with VAE, GAN, and Diffusion Model Architectures

Generative AI (genAI) has emerged as a powerful tool for synthesizing diverse and complex image data, offering new possibilities for scientific imaging applications. This review presents a comprehensive comparative analysis of leading generative architectures, ranging from Variational Autoencoders (VAEs) to Generative Adversarial Networks (GANs) on through to Diffusion Models, in the context of scientific image synthesis. We examine each model's foundational principles, recent architectural advancements, and practical trade-offs. Our evaluation, conducted on domain-specific datasets including microCT scans of rocks and composite fibers, as well as high-resolution images of plant roots, integrates both quantitative metrics (SSIM, LPIPS, FID, CLIPScore) and expert-driven qualitative assessments. Results show that GANs, particularly StyleGAN, produce images with high perceptual quality and structural coherence. Diffusion-based models for inpainting and image variation, such as DALL-E 2, delivered high realism and semantic alignment but generally struggled in balancing visual fidelity with scientific accuracy. Importantly, our findings reveal limitations of standard quantitative metrics in capturing scientific relevance, underscoring the need for domain-expert validation. We conclude by discussing key challenges such as model interpretability, computational cost, and verification protocols, and discuss future directions where generative AI can drive innovation in data augmentation, simulation, and hypothesis generation in scientific research.

Generative Adversarial Networks

From Rules to Reasoning: A Survey of Large Language Model-Based Approaches to Scientific Hypothesis and Idea Generation

Scientific hypothesis generation represents a fundamental challenge in contemporary research due to exponentially expanding literature volumes and increasing disciplinary specialization. Large language models (LLMs) have emerged as transformative tools for automated scientific discovery, moving beyond traditional rule-based and literature-mining approaches. Four paradigmatic approaches define current LLM-driven hypothesis generation: direct prompting and fine-tuning methods, knowledge-enhanced frameworks integrating retrieval-augmented generation (RAG), multi-agent collaborative systems simulating research teams, and reasoning-focused approaches implementing cognitive architectures. Domain-specific applications demonstrate statistical equivalence to human expert performance in social psychology, experimental validation in biomedical research, and near-expert quality in astronomy. Evaluation methodologies encompass human expert assessment, LLM-as-judge frameworks, and comprehensive benchmarking systems. Technical challenges include hallucination management, knowledge integration limitations, and balancing novelty with feasibility. Future directions emphasize hybrid neural-symbolic architectures and sophisticated human-AI collaboration models for responsible scientific discovery acceleration.

AI-driven discovery

Recent Advancements in Modeling and Simulation of Entry Systems at NASA

This paper describes recent development of modeling and simulation technologies for entry systems in support of NASA's exploration missions. Mission-tailored research and development in modeling of entry systems occurs across the Agency (e.g., within the Orion and Mars 2020 Programs), however the aim of this paper is to discuss the broad, cross-mission research conducted by NASA's Entry Systems Modeling (ESM) Project, which serves as the Agency's only concerted effort toward advancing entry systems across a range of technical disciplines. Technology development in ESM is organized and prioritized from a system-level perspective, resulting in four broad technical areas of investment: (1) Predictive material modeling, (2) Shock layer kinetics and radiation, (3) Computational and experimental aerosciences, and (4) Guidance, navigation, and control. Investments in thermal protection material modeling are geared toward high-fidelity, predictive models capable of handling complex structures, with an eye toward optimizing design performance and quantifying thermal protection system reliability. New computational tools have been developed to characterize material properties and behavior at the microstructural level, and experimental techniques (molecular beam scattering, micro-computed tomography, among others) have been developed to measure material kinetics, morphology, and other parameters needed to inform and validate detailed simulations. Advancements have also been made in macrostructural simulation capability to enable 3-D system-scale calculations of material response with complex topological features, including differential recession of tile gaps. Research and development in the area of shock layer kinetics has focused on air and CO2-based atmospheres. Capacity and capability of the NASA Ames Electric Arc Shock Tube (EAST) have been expanded in recent years and analysis of resulting data has led to several improvements in kinetic models, while simultaneously reducing uncertainties associated with radiative heat transfer predictions. First-principles calculations of fundamental kinetic, thermodynamic, and transport data, along with state-specific models for non-equilibrium flow regimes, have also yielded new insights and have the potential to vastly improve model fidelity. Aerosciences is a very broad area of interest in entry systems, yet a number of important challenges are being addressed: Coupled fluid-structure simulations of parachute inflation and dynamics; Experimental and computational studies of vehicle dynamics; Multi-phase flow with dust particles to simulate entry environments at Mars during dust storms; Studies of roughness-induced heating augmentation relevant to tiled and woven thermal protection systems; and Advanced numerical methods to optimize computational analyses for desired accuracy versus cost. Guidance and control in the context of entry systems has focused on development of methods for multi-axis control (i.e. pitch and yaw, rather than bank angle alone) of spacecraft during entry and descent. With precision landing requirements driven by Mars human exploration goals, recent efforts have yielded 6-DOF models of multi-axis control with propulsive descent of both inflatable and rigid ellipsled-like architectures.

Barnhardt, Michael D.

Recent Advancements in Modeling and Simulation of Entry Systems at NASA

This paper describes recent development of modeling and simulation technologies for entry systems in support of NASA’s exploration missions. Mission-tailored research and development in modeling of entry systems occurs across the Agency (e.g., within the Orion and Mars 2020 Programs), however the aim of this paper is to discuss the broad, cross-mission research conducted by NASA’s Entry Systems Modeling (ESM) Project, which serves as the Agency’s only concerted effort toward advancing entry systems across a range of technical disciplines. Technology development in ESM is organized and prioritized from a system-level perspective, resulting in four broad technical areas of investment: (1) Predictive material modeling, (2) Shock layer kinetics and radiation, (3) Computational and experimental aerosciences, and (4) Guidance, navigation, and control. Investments in thermal protection material modeling are geared toward high-fidelity, predictive models capable of handling complex structures, with an eye toward optimizing design performance and quantifying thermal protection system reliability. New computational tools have been developed to characterize material properties and behavior at the microstructural level, and experimental techniques (molecular beam scattering, micro-computed tomography, among others) have been developed to measure material kinetics, morphology, and other parameters needed to inform and validate detailed simulations. Advancements have also been made in macrostructural simulation capability to enable 3-D system-scale calculations of material response with complex topological features, including differential recession of tile gaps. Research and development in the area of shock layer kinetics has focused on air and CO2-based atmospheres. Capacity and capability of the NASA Ames Electric Arc Shock Tube (EAST) have been expanded in recent years and analysis of resulting data has led to several improvements in kinetic models, while simultaneously reducing uncertainties associated with radiative heat transfer predictions. First-principles calculations of fundamental kinetic, thermodynamic, and transport data, along with state-specificmodels for non-equilibrium flow regimes, have also yielded new insights and have the potential to vastly improve model fidelity. Aerosciences is a very broad area of interest in entry systems, yet a number of important challenges are being addressed: Coupled fluid-structure simulations of parachute inflation and dynamics; Experimental and computational studies of vehicle dynamics; Multi-phase flow with dust particles to simulate entry environments at Mars during dust storms; Studies of roughness-induced heating augmentation relevant to tiled and woven thermal protection systems; and Advanced numerical methods to optimize computational analyses for desired accuracy versus cost. Guidance and control in the context of entry systems has focused on development of methods for multi-axis control (i.e. pitch and yaw, rather than bank angle alone) of spacecraft during entry and descent. With precision landing requirements driven by Mars human exploration goals, recent efforts have yielded 6-DOF models of multi-axis control with propulsive descent of both inflatable and rigid ellipsled-like architectures. Results for both configurations have demonstrated the ability to land within the 50-meter precision requirement demanded by Mars human exploration missions, while also reducing propellant requirements by enabling more efficient control through entry and descent. Ongoing research in GN&C is developing mechanical specifications for the systems and establishing engineering feasibility.

aerothermodynamics

Uncertainty Quantification for Data-Driven Machine Learning Models in Nuclear Engineering Applications: Where We Are and What Do We Need?

Machine learning (ML) has been leveraged to tackle a diverse range of tasks in almost all branches of nuclear engineering. Many of the successes in ML applications can be attributed to the recent performance breakthroughs in deep learning, the growing availability of computational power, data, and easy-to-use ML libraries. However, these empirical successes have often outpaced our formal understanding of the ML algorithms. An important but under-rated area is uncertainty quantification (UQ) of ML. ML-based models are subject to approximation uncertainty when they are used to make predictions, due to sources including but not limited to, data noise, data coverage, extrapolation, imperfect model architecture and the stochastic training process. The goal of this paper is to clearly explain and illustrate the importance of UQ of ML. We will elucidate the differences in the basic concepts of UQ of physics-based models and data-driven ML models. Various sources of uncertainties in physical modeling and data-driven modeling will be discussed, demonstrated, and compared. We will also present and demonstrate a few techniques to quantify the ML prediction uncertainties, including Monte Carlo dropout, deep ensemble, Bayesian neural networks, Gaussian Processes and conformal prediction. Lastly, we will discuss the need for building a verification, validation and UQ framework to establish ML credibility.

22 GENERAL STUDIES OF NUCLEAR REACTORS

Stochastic Verification by Analysis for Autonomous Systems Management Architecture (ASMA)

The Gateway Vehicle Systems Manager (VSM) is the top-level of a distributed, hierarchical software control system. VSM is data-driven and will make decisions related to mission, fault, resource management and vehicle control. These attributes combined with a high degree of autonomy make it susceptible to emergent behavior. In order to achieve the high level of confidence needed in this critical system, the VSM team has developed a multifaceted verification strategy employing traditional verification techniques, simulation, model checking, and runtime verification. Individual algorithms are verified using conventional testing and model checking using assume-guarantee contracts. A discrete event-based simulation approach is being developed to verify timelines. This presentation describes an enhancement to the verification approach using analysis to enhance system robustness by detecting and resolving the potential for emergent behavior. The verification by analysis employs a Software in the Loop (SITL) environment with real flight software executing on emulated processors, simulations of vehicle subsystems, flight dynamics, and human inputs. Since the possible input space and configuration data set are too large for exhaustive testing, a Monte Carlo approach is used to cover feasible scenarios, augmented with corner cases and known higher-risk scenarios. A key problem in using Monte Carlo-based system verification is evaluating test results to ensure that system behavior is correct. The presentation describes the approach the VSM team uses to monitor behavior for compliance with predetermined boundaries and to identify anomalous behavior for further analysis. This presentation describes the multi-level systems approach to verification, and the simulation-based layer that covers the feasible state space: 1. Overview of the Gateway VSM 2. Special challenges due to heterogeneous, hierarchical architecture 3. Modeling and simulation environment using flight software and system simulations 4. Developing input sets to ensure state-space coverage 5. Developing model and data configuration sets to ensure model coverage 6. Interpreting results without predetermined outcomes 7. Lessons learned and future work

Verification and Validation