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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

DOE OSTI2025

Physics-Informed Graph Neural Networks for Collaborative Dynamic Reconfiguration and Voltage Regulation in Unbalanced Distribution Systems

Network reconfiguration has long been employed as a strategic approach to minimize power distribution system losses and effectively regulate voltage levels. Tap-changing voltage regulators are also critical for controlling bus voltages, especially in accommodating the increasing integration of distributed energy resources (DERs) with intermittent outputs. This paper introduces novel methodologies to address the challenges of dynamic reconfiguration and optimal tap setting in unbalanced three-phase distribution systems. We propose an approximated mixed-integer quadratically constrained program (MIQCP) to model dynamic reconfiguration, along with a pioneering formulation for voltage regulator (VR) tap-setting based on Special Ordered Set type 1 (SOS1). To mitigate computational complexity, we propose a physics-informed spatial-temporal graph convolutional network (STGCN) with an integrated link classifier. The proposed approach enables efficient solution generation by fixing specific variables in the MIQCP instance and solving the simplified sub-MIP using an MIP solver. Numerical studies demonstrate the superior prediction accuracy of our STGCN model compared to baseline neural network models, resulting in reduced DER curtailment and voltage deviation with shorter computation time.

dynamic reconfiguration↗

DOE OSTI2025

Mesh-based super-resolution of fluid flows with multiscale graph neural networks

A graph neural network (GNN) approach is introduced in this work which enables mesh-based three-dimensional super-resolution of fluid flows. In this framework, the GNN is designed to operate not on the full mesh-based field at once, but on localized meshes of elements (or cells) directly. To facilitate mesh-based GNN representations in a manner similar to spectral (or finite) element discretizations, a baseline GNN layer (termed a message passing layer, which updates local node properties) is modified to account for synchronization of coincident graph nodes, rendering compatibility with commonly used element-based mesh connectivities. Furthermore, the architecture is multiscale in nature, and is comprised of a combination of coarse-scale and fine-scale message passing layer sequences (termed processors) separated by a graph unpooling layer. The coarse-scale processor embeds a query element (alongside a set number of neighboring coarse elements) into a single latent graph representation using coarse-scale synchronized message passing over the element neighborhood, and the fine-scale processor leverages additional message passing operations on this latent graph to correct for interpolation errors. Demonstration studies are performed using hexahedral mesh-based data from Taylor–Green Vortex and backward-facing step flow simulations at Reynolds numbers of 1600 and 3200. Through analysis of both global and local errors, the results ultimately show how the GNN is able to produce accurate super-resolved fields compared to targets in both coarse-scale and multiscale model configurations. Reconstruction errors for fixed architectures were found to increase in proportion to the Reynolds number. Geometry extrapolation studies on a separate cavity flow configuration show promising cross-mesh capabilities of the super-resolution strategy.

Backward-facing step↗

NASA NTRS1986

Comment on the paper 'On the influx of small comets into the earth's upper atmosphere. I - Observations'

The observations of transient decreases or holes in the EUV dayglow reported by Frank et al. (1986) and attributed to an influx of small comets into the earth atmosphere are discussed critically. The techniques used in acquiring and analyzing the observational data are examined, and it is argued that the decreases are probably instrument artifacts. A critique of the geophysical basis of the comet hypothesis is also included. In a reply by Frank et al., the instrument-artifact argument is rejected, in part on the basis of the statistical properties of the holes observed. Additional observational data are presented in graphs and dynamics Explorer 1 images are analyzed in detail.

Chubb, T. A.↗

NASA NTRS2005

Thrust Augmentation Measurements for a Pulse Detonation Engine Driven Ejector

Thrust augmentation results of an ongoing study of pulse detonation engine driven ejectors are presented and discussed. The experiments were conducted using a pulse detonation engine (PDE) setup with various ejector configurations. The PDE used in these experiments utilizes ethylene (C2H4) as the fuel, and an equi-molar mixture of oxygen and nitrogen as the oxidizer at an equivalence ratio of one. High fidelity thrust measurements were made using an integrated spring damper system. The baseline thrust of the PDE engine was first measured and agrees with experimental and modeling results found in the literature. Thrust augmentation measurements were then made for constant diameter ejectors. The parameter space for the study included ejector length, PDE tube exit to ejector tube inlet overlap distance, and straight versus rounded ejector inlets. The relationship between the thrust augmentation results and various physical phenomena is described. To further understand the flow dynamics, shadow graph images of the exiting shock wave front from the PDE were also made. For the studied parameter space, the results showed a maximum augmentation of 40%. Further increase in augmentation is possible if the geometry of the ejector is tailored, a topic currently studied by numerous groups in the field.

Pal, S.↗

NASA NTRS2010

Multi Sector Planning Tools for Trajectory-Based Operations

This paper discusses a suite of multi sector planning tools for trajectory-based operations that were developed and evaluated in the Airspace Operations Laboratory (AOL) at the NASA Ames Research Center. The toolset included tools for traffic load and complexity assessment as well as trajectory planning and coordination. The situation assessment tools included an integrated suite of interactive traffic displays, load tables, load graphs, and dynamic aircraft filters. The planning toolset allowed for single and multi aircraft trajectory planning and data communication-based coordination of trajectories between operators. Also newly introduced was a real-time computation of sector complexity into the toolset that operators could use in lieu of aircraft count to better estimate and manage sector workload, especially in situations with convective weather. The tools were used during a joint NASA/FAA multi sector planner simulation in the AOL in 2009 that had multiple objectives with the assessment of the effectiveness of the tools being one of them. Current air traffic control operators who were experienced as area supervisors and traffic management coordinators used the tools throughout the simulation and provided their usefulness and usability ratings in post simulation questionnaires. This paper presents these subjective assessments as well as the actual usage data that was collected during the simulation. The toolset was rated very useful and usable overall. Many elements received high scores by the operators and were used frequently and successfully. Other functions were not used at all, but various requests for new functions and capabilities were received that could be added to the toolset.

Prevot, Thomas↗

NASA NTRS2018

Modeling Principles Using the Relation Between Lagrange Multipliers and Bond Graphs

Final document is attached. Modeling dynamic systems by bond graphs has become state of the art technology since hundreds of researchers around the world have incorporated the technology in many fields of engineering and science. The legacy of its invertor Prof. Henry Paynter at MIT in 1959 is now a fundamental and practical technique to understand reality by building computer models. This paper addresses a particular aspect of this technology when modeling of mechanical systems require relaxation of constraints by means of Lagrange principles. Lagrange's equations are a useful means of describing and solving systems with kinematic constraints. Lagrange multipliers are variables used in equations to find the extremes of multivariate functions. Here we explore the relation of Lagrange multipliers to solve modeling difficulties of a space vehicle with equations with dependent derivatives. Lagrange multipliers were used in conjunction with bond graphs to simulate a system where joints of kinematic linkages produce dependent derivatives. NASA's Morpheus Project lunar lander was used as a case study. The Morpheus Project is a terrestrial test vehicle designed to fly the terminal descent trajectory of a lunar lander to advance the Autonomous Landing Hazard Avoidance Technology (ALHAT). An objective of this study is to apply the modeling approach herein to capture the dynamic movement of the lander as the propellant is sloshed and consumed. This paper expands further the analysis presented by (Granda, J J. Nguyen, L, Carlson, T, Sahragard-Monfared, G., Fornalski, E., Brocker 2016). Using an automated approach bond graph models of state space equations were generated using the Computer Aided Modeling Program (CAMPG). Integral causality models and derivative causality models were considered in order to find the simpler solution for the mathematical dependencies produced in modeling this vehicle.

Granda, Jose J.↗

NASA NTRS1997

An Automated Method for Identifying Inconsistencies within Diagrammatic Software Requirements Specifications

The development of large-scale, composite software in a geographically distributed environment is an evolutionary process. Often, in such evolving systems, striving for consistency is complicated by many factors, because development participants have various locations, skills, responsibilities, roles, opinions, languages, terminology and different degrees of abstraction they employ. This naturally leads to many partial specifications or viewpoints. These multiple views on the system being developed usually overlap. From another aspect, these multiple views give rise to the potential for inconsistency. Existing CASE tools do not efficiently manage inconsistencies in distributed development environment for a large-scale project. Based on the ViewPoints framework the WHERE (Web-Based Hypertext Environment for requirements Evolution) toolkit aims to tackle inconsistency management issues within geographically distributed software development projects. Consequently, WHERE project helps make more robust software and support software assurance process. The long term goal of WHERE tools aims to the inconsistency analysis and management in requirements specifications. A framework based on Graph Grammar theory and TCMJAVA toolkit is proposed to detect inconsistencies among viewpoints. This systematic approach uses three basic operations (UNION, DIFFERENCE, INTERSECTION) to study the static behaviors of graphic and tabular notations. From these operations, subgraphs Query, Selection, Merge, Replacement operations can be derived. This approach uses graph PRODUCTIONS (rewriting rules) to study the dynamic transformations of graphs. We discuss the feasibility of implementation these operations. Also, We present the process of porting original TCM (Toolkit for Conceptual Modeling) project from C++ to Java programming language in this thesis. A scenario based on NASA International Space Station Specification is discussed to show the applicability of our approach. Finally, conclusion and future work about inconsistency management issues in WHERE project will be summarized.

Zhang, Zhong↗

NASA NTRS1992

Expert systems for automated maintenance of a Mars oxygen production system

Application of expert system concepts to a breadboard Mars oxygen processor unit have been studied and tested. The research was directed toward developing the methodology required to enable autonomous operation and control of these simple chemical processors at Mars. Failure detection and isolation was the key area of concern, and schemes using forward chaining, backward chaining, knowledge-based expert systems, and rule-based expert systems were examined. Tests and simulations were conducted that investigated self-health checkout, emergency shutdown, and fault detection, in addition to normal control activities. A dynamic system model was developed using the Bond-Graph technique. The dynamic model agreed well with tests involving sudden reductions in throughput. However, nonlinear effects were observed during tests that incorporated step function increases in flow variables. Computer simulations and experiments have demonstrated the feasibility of expert systems utilizing rule-based diagnosis and decision-making algorithms.

Huang, Jen-Kuang↗

DOE OSTI2025

pnnl/glad

The Graph-based Learning of Aerosol Dynamics (GLAD) package implements a Graph Network-based Simulator (GNS), a machine learning framework that has been used to simulate particle-based fluid dynamics models

Smith, Ian [@pnnl]↗

NASA NTRS1952

Calculation of the lateral-dynamic stability of aircraft

Graphs and formulas are given with the aid of which all the aerodynamic coefficients required for computing the lateral dynamic stability can be determined. A number of numerical examples are given for obtaining the stability derivatives and solving the characteristic-stability equation. Approximate formulas are derived with the aid of which rapid preliminary computations may be made and the stability coefficients corrected for certain modifications of the airplane. A derivation of the lateral-dynamic-stability equations is included.

STABILITY, LATERAL - DYNAMIC↗

DOE OSTI2026

Bayesian chain graph models to characterize microbe-environment dynamics

Microbiome data require statistical models that can simultaneously decode microbes' reaction to the environment and interactions among microbes. While a multiresponse linear regression model seems like a straight-forward solution, we argue that treating it as a graphical model is problematic given that the regression coefficient matrix does not encode the conditional dependence structure between response and predictor nodes. This observation is especially important in biological settings when we have prior knowledge on the edges from specific experimental interventions that can only be properly encoded under a conditional dependence model. Here, we propose a chain graph model with two sets of nodes (predictors and responses) whose solution yields a graph with edges that indeed represent conditional dependence, thus agreeing with the experimenter's intuition on the average behavior of nodes under treatment. The solution to our model is sparse via the Bayesian linear regression (LASSO). In addition, we propose an adaptive extension so that different shrinkages can be applied to different edges to incorporate edge-specific prior knowledge. Our model is computationally inexpensive through an efficient Gibbs sampling algorithm and can account for binary, counting, and compositional responses via an appropriate hierarchical structure. We test the performance of our model in a variety of simulated datasets, thereby showing superior performance to state-of-the-art approaches. We further apply our model to human gut and soil microbial compositional datasets, and we highlight that CG-LASSO can estimate biologically meaningful network structures in the data.

compositional data↗

NASA NTRS2011

Graph Theory Roots of Spatial Operators for Kinematics and Dynamics

Spatial operators have been used to analyze the dynamics of robotic multibody systems and to develop novel computational dynamics algorithms. Mass matrix factorization, inversion, diagonalization, and linearization are among several new insights obtained using such operators. While initially developed for serial rigid body manipulators, the spatial operators and the related mathematical analysis have been shown to extend very broadly including to tree and closed topology systems, to systems with flexible joints, links, etc. This work uses concepts from graph theory to explore the mathematical foundations of spatial operators. The goal is to study and characterize the properties of the spatial operators at an abstract level so that they can be applied to a broader range of dynamics problems. The rich mathematical properties of the kinematics and dynamics of robotic multibody systems has been an area of strong research interest for several decades. These properties are important to understand the inherent physical behavior of systems, for stability and control analysis, for the development of computational algorithms, and for model development of faithful models. Recurring patterns in spatial operators leads one to ask the more abstract question about the properties and characteristics of spatial operators that make them so broadly applicable. The idea is to step back from the specific application systems, and understand more deeply the generic requirements and properties of spatial operators, so that the insights and techniques are readily available across different kinematics and dynamics problems. In this work, techniques from graph theory were used to explore the abstract basis for the spatial operators. The close relationship between the mathematical properties of adjacency matrices for graphs and those of spatial operators and their kernels were established. The connections hold across very basic requirements on the system topology, the nature of the component bodies, the indexing schemes, etc. The relationship of the underlying structure is intimately connected with efficient, recursive computational algorithms. The results provide the foundational groundwork for a much broader look at the key problems in kinematics and dynamics. The properties of general graphs and trees of nodes and edge were examined, as well as the properties of adjacency matrices that are used to describe graph connectivity. The nilpotency property of such matrices for directed trees was reviewed, and the adjacency matrices were generalized to the notion of block weighted adjacency matrices that support block matrix elements. This leads us to the development of the notion of Spatial Kernel Operator SKO kernels. These kernels provide the basis for the development of SKO resolvent operators.

Jain, Abhinandan↗

NASA NTRS1990

Method for concurrent execution of primitive operations by dynamically assigning operations based upon computational marked graph and availability of data

Computationally complex primitive operations of an algorithm are executed concurrently in a plurality of functional units under the control of an assignment manager. The algorithm is preferably defined as a computationally marked graph contianing data status edges (paths) corresponding to each of the data flow edges. The assignment manager assigns primitive operations to the functional units and monitors completion of the primitive operations to determine data availability using the computational marked graph of the algorithm. All data accessing of the primitive operations is performed by the functional units independently of the assignment manager.

Stoughton, John W.↗

NASA NTRS1997

HARP: A Dynamic Inertial Spectral Partitioner

Partitioning unstructured graphs is central to the parallel solution of computational science and engineering problems. Spectral partitioners, such recursive spectral bisection (RSB), have proven effecfive in generating high-quality partitions of realistically-sized meshes. The major problem which hindered their wide-spread use was their long execution times. This paper presents a new inertial spectral partitioner, called HARP. The main objective of the proposed approach is to quickly partition the meshes at runtime in a manner that works efficiently for real applications in the context of distributed-memory machines. The underlying principle of HARP is to find the eigenvectors of the unpartitioned vertices and then project them onto the eigerivectors of the original mesh. Results for various meshes ranging in size from 1000 to 100,000 vertices indicate that HARP can indeed partition meshes rapidly at runtime. Experimental results show that our largest mesh can be partitioned sequentially in only a few seconds on an SP2 which is several times faster than other spectral partitioners while maintaining the solution quality of the proven RSB method. A parallel WI version of HARP has also been implemented on IBM SP2 and Cray T3E. Parallel HARP, running on 64 processors SP2 and T3E, can partition a mesh containing more than 100,000 vertices into 64 subgrids in about half a second. These results indicate that graph partitioning can now be truly embedded in dynamically-changing real-world applications.

Simon, Horst D.↗

DOE OSTI2026

AGFormer: Adaptive Spatiotemporal graph informed transformer for multi-reservoir inflow forecasting

Accurate reservoir inflow forecasting is crucial for effective water resource management, yet most machine learning models focus on single-reservoir prediction and overlook spatial dependencies among hydrologically connected reservoirs. Here, we propose AGFormer (Adaptive Graph-Informed Transformer), an end-to-end framework that integrates adaptive graph learning with temporal sequence modeling for multi-reservoir inflow forecasting. A shared encoder and graph attention mechanism generate reservoir-specific embeddings, which are then processed by the Transformer-based encoder–decoder for multi-step inflow forecasting. We also introduce a pretraining paradigm to learn robust temporal embeddings from misaligned historical records. Evaluated on 30 reservoirs in the Upper Colorado River Basin, AGFormer achieves superior seven-day-ahead forecasts, with NSE > 0.75 for 20 reservoirs—outperforming Encoder–Decoder LSTM, GCN+LSTM, and Transformer baselines. Adaptive graph learning captures dynamic inter-reservoir dependencies, and feature attribution aligns with snowmelt-driven hydrology. Incorporating forecasted meteorological inputs further enhances accuracy, demonstrating AGFormer’s potential to support reservoir management under dynamic hydrological conditions.

Adaptive graph learning↗

DOE OSTI2024

Data-driven modeling of dislocation mobility from atomistics using physics-informed machine learning

Dislocation mobility, which dictates the response of dislocations to an applied stress, is a fundamental property of crystalline materials that governs the evolution of plastic deformation. Traditional approaches for deriving mobility laws rely on phenomenological models of the underlying physics, whose free parameters are in turn fitted to a small number of intuition-driven atomic scale simulations under varying conditions of temperature and stress. This tedious and time-consuming approach becomes particularly cumbersome for materials with complex dependencies on stress, temperature, and local environment, such as body-centered cubic crystals (BCC) metals and alloys. In this paper, we present a novel, uncertainty quantification-driven active learning paradigm for learning dislocation mobility laws from automated high-throughput large-scale molecular dynamics simulations, using Graph Neural Networks (GNN) with a physics-informed architecture. We demonstrate that this Physics-informed Graph Neural Network (PI-GNN) framework captures the underlying physics more accurately compared to existing phenomenological mobility laws in BCC metals.

36 MATERIALS SCIENCE↗

NASA NTRS1972

A Structural Design for an Externally Blown Flap (EBF) Medium STOL Research Aircraft

A computer program to predict, by reference to structural drawings, the dynamic response of a high lift STOL wing with externally blown flaps was developed. Structural data for the computer program are presented in the form of sketches, weight and dynamic loads information graphs, and tables for an external blown, triple-slotted flap, high lift STOL transport wing. Weight, mass distribution, and moment of inertia data are summarized in table form and presented pictorially by drawing layout. The methods used for obtaining weight data were: (1) actual know, weight of components, (2) preliminary stress sizing, and (3) statistical weight estimating methods.

Source record↗

NASA NTRS1989

A single-assignment language in a distributed memory multiprocessor

The implementation of the single-assignment programming language SISAL (McGraw et al., 1985) on a Symult 2010 parallel computer is described. The advantages of single-assignment languages over imperative languages in a multiprocessor environment are reviewed; the characteristics of SISAL are summarized; the program-graph generation and dynamic data partitioning procedures are explained; and the application of SISAL in constructing a concurrent iterative multigrid algorithm is discussed in detail and illustrated with diagrams.

Evripidou, P.↗