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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 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
NASA NTRS2016

Computations of Combustion-Powered Actuation for Dynamic Stall Suppression

A computational framework for the simulation of dynamic stall suppression with combustion-powered actuation (COMPACT) is validated against wind tunnel experimental results on a VR-12 airfoil. COMPACT slots are located at 10% chord from the leading edge of the airfoil and directed tangentially along the suction-side surface. Helicopter rotor-relevant flow conditions are used in the study. A computationally efficient two-dimensional approach, based on unsteady Reynolds-averaged Navier-Stokes (RANS), is compared in detail against the baseline and the modified airfoil with COMPACT, using aerodynamic forces, pressure profiles, and flow-field data. The two-dimensional RANS approach predicts baseline static and dynamic stall very well. Most of the differences between the computational and experimental results are within two standard deviations of the experimental data. The current framework demonstrates an ability to predict COMPACT efficacy across the experimental dataset. Enhanced aerodynamic lift on the downstroke of the pitching cycle due to COMPACT is well predicted, and the cycleaveraged lift enhancement computed is within 3% of the test data. Differences with experimental data are discussed with a focus on three-dimensional features not included in the simulations and the limited computational model for COMPACT.

Jee, Solkeun↗
NASA NTRS2019

Aeroelastic Indicial Response Reduced-Order Modeling for Flexible Flight Vehicles

A reduced-order modeling method capable of providing computationally efficient predictions of the nonlinear, unsteady aerodynamics encountered by flexible flight vehicles under- going forced oscillations is presented. Models are developed using indicial response theory, which characterizes a vehicle’s dynamics through identification of time-accurate aerodynamic responses due to step changes in the vehicle-state parameters, e.g., angle-of-attack, pitch rate. A coupled computational fluid dynamics aeroelastic analysis is proposed for identifying step (indicial) responses of flexible vehicles. In this approach, aeroelastic indicial responses are simulated via prescribed rigid body motions, while fluid-structure interactions are captured at the subiterative level through coupling to a linear modal structural solver. A nonlinear extension of indicial response theory is applied through time-dependent linear interpolation of a database of locally linear aeroelastic step responses. Reduced-order models are then created using the mathematical principle of convolution applied to the interpolated aeroelastic indicial responses to predict the time-dependent aerodynamic response of a flexible vehicle to any arbitrary prescribed flight maneuver. The NASA FUN3D computational fluid dynamics solver is utilized for simulating full-order trajectories and indicial response functions. Aerodynamic predictions were generated for the X-56A aircraft undergoing a series of harmonic forced oscillations. The s are shown to provide a practical option for evaluating the unsteady aerodynamics of flexible vehicles using high-fidelity simulations.

Hiller, Brett↗
NASA NTRS2020

Communication-Aware Orbit Design for Small Spacecraft Swarms around Small Bodies

Exploration of small Solar System bodies has traditionally been performed by single monolithic spacecraft carrying a number of science instruments. However, science instruments typically cannot be operated simultaneously due to the instrument requirements including optimal viewing angle, surface illumination, altitude and ground resolution, power, and data constraints. This observation has motivated interest in multi-spacecraft architectures where a swarm of small spacecraft, each carrying a single science instrument, studies a small body after being deployed by a carrier spacecraft, which then collects data from the vehicles and relays it to Earth. Such architectures hold promise to yield significant improvements in mission efficiency, increases in data quality, and shorter mission duration. A key difficulty in the design of such missions is the selection of orbits for the small spacecraft, which must satisfy not only instrument requirements, but also strict inter-spacecraft communication and on-board storage constraints. To address this, in this paper, we present a novel computationally-efficient optimization algorithm for \emph{communication-aware design} of the orbits of a small spacecraft swarm orbiting a small body. The proposed approach captures constraints including instrument requirements, inter-spacecraft communication bandwidths, and on-board memory usage, and it can accommodate highly irregular gravity field models and surface geometries. We propose an efficient algorithm for optimization of instrument observations and inter-spacecraft communications; we then leverage the differentiable nature of the proposed algorithm to accelerate a gradient-based global search algorithm. Numerical simulations of a six-spacecraft swarm studying 433 Eros show that the proposed approach successfully identifies high-quality orbits, and significantly outperform communication-agnostic optimization techniques, resulting in a 10% increase in scientific returns and a 30% increase in the quality of the collected data.

Rahmani, Amir↗
DOE OSTI2025

Efficient Neural Network Approaches for Conditional Optimal Transport with Applications in Bayesian Inference

In this work, we present two neural network approaches that approximate the solutions of static and dynamic conditional optimal transport (COT) problems. Both approaches enable conditional sampling and conditional density estimation, which are core tasks in Bayesian inference—particularly in the simulation-based (“likelihood-free”) setting. Our methods represent the target conditional distribution as a transformation of a tractable reference distribution. Obtaining such a transformation, chosen here to be an approximation of the COT map, is computationally challenging even in moderate dimensions. To improve scalability, our numerical algorithms use neural networks to parameterize candidate maps and further exploit the structure of the COT problem. Our static approach approximates the map as the gradient of a partially input convex neural network. It uses a novel numerical implementation to increase computational efficiency compared to state-of-the-art alternatives. Our dynamic approach approximates the conditional optimal transport via the flow map of a regularized neural ODE; compared to the static approach, it is slower to train but offers more modeling choices and can lead to faster sampling. We demonstrate both algorithms numerically, comparing them with competing state-of-the-art approaches, using benchmark datasets and simulation-based Bayesian inverse problems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Dynamic Transmission Line Switching Amid Wildfire-Prone Weather Under Decision-Dependent Uncertainty

During dry and windy seasons, environmental conditions significantly increase the risk of wildfires, exposing power grids to disruptions caused by transmission line failures. Wildfire propagation exacerbates grid vulnerability, potentially leading to prolonged power outages. To address this challenge, we propose a multistage optimization model that dynamically adjusts transmission grid topology in response to wildfire propagation, aiming to develop an optimal response policy. By accounting for decision-dependent uncertainty, where line survival probabilities depend on usage, we employ distributionally robust optimization to model uncertainty in line survival distributions. We adapt the stochastic nested decomposition algorithm and derive a deterministic upper bound for its finite convergence. To enhance computational efficiency, we exploit the Lagrangian dual problem structure for a faster generation of Lagrangian cuts. Using realistic data from the California transmission grid, we demonstrate the superior performance of dynamic response policies against two-stage alternatives through a comprehensive case study. In addition, after solving the multistage formulation, we construct easy-to-implement policies that significantly reduce computational burden while maintaining good performance in real-time deployment. History: Accepted by Russell Bent, Area Editor for Network Optimization: Algorithms and Applications. Funding: This work was supported by the U.S. Department of Energy, Office of Electricity [Grant DE-AC02-05CH11231]. The work of R. Jiang was supported in part by the U.S. National Science Foundation, Division of Electrical, Communications and Cyber Systems [Grant ECCS-1845980] and the U.S. Air Force Office of Scientific Research [Grant FA9550-23-1-0323]. Supplemental Material: The software that supports the findings of this study is available within the paper and its Supplemental Information ( https://pubsonline.informs.org/doi/suppl/10.1287/ijoc.2025.1210 ) as well as from the IJOC GitHub software repository ( https://github.com/INFORMSJoC/2025.1210 ). The complete IJOC Software and Data Repository is available at https://informsjoc.github.io/ .

Estrada-Garcia, Juan-Alberto↗
DOE OSTI2026

A Scaling Study for Incompressible Multispecies Solver in Vertex-CFD

Multispecies incompressible flows occur widely in engineering and environmental applications, such as chemical reactors, fuel cells, ocean mixing, and biomedical systems. However, accurately resolving the complex transport and mixing phenomena associated with multiple interacting species remains computationally challenging, especially for large-scale problems. In this study, we present a robust, high-performance computing--enabled multispecies incompressible Navier–Stokes solver integrated within the Vertex-CFD framework. Our solver employs a fully coupled, implicit, finite element--based formulation that accurately captures the advection, diffusion, and interaction of multiple species in incompressible flows by leveraging the Kokkos library for parallel computing to achieve high computational efficiency. For pressure coupling, the entropically damped artificial compressibility method is utilized. We validated the solver against canonical test cases, including multispecies advection, diffusion, and Bateman systems; the results demonstrate second- and third-order spatial accuracy and consistent convergence. Additionally, we demonstrated the strong and weak scaling study results obtained on the leadership-class high-performance computing system, Frontier at Oak Ridge National Laboratory.

Oz, Furkan [ORNL] (ORCID:0000000265831724)↗
NASA NTRS1984

Development and application of an analysis of axisymmetric body effects on helicopter rotor aerodynamics using modified slender body theory

A computationally efficient body analysis designed to couple with a comprehensive helicopter analysis is developed in order to calculate the body-induced aerodynamic effects on rotor performance and loads. A modified slender body theory is used as the body model. With the objective of demonstrating the accuracy, efficiency, and application of the method, the analysis at this stage is restricted to axisymmetric bodies at zero angle of attack. By comparing with results from an exact analysis for simple body shapes, it is found that the modified slender body theory provides an accurate potential flow solution for moderately thick bodies, with only a 10%-20% increase in computational effort over that of an isolated rotor analysis. The computational ease of this method provides a means for routine assessment of body-induced effects on a rotor. Results are given for several configurations that typify those being used in the Ames 40- by 80-Foot Wind Tunnel and in the rotor-body aerodynamic interference tests being conducted at Ames. A rotor-hybrid airship configuration is also analyzed.

Yamauchi, G.↗
NASA NTRS1990

Analytical learning and term-rewriting systems

Analytical learning is a set of machine learning techniques for revising the representation of a theory based on a small set of examples of that theory. When the representation of the theory is correct and complete but perhaps inefficient, an important objective of such analysis is to improve the computational efficiency of the representation. Several algorithms with this purpose have been suggested, most of which are closely tied to a first order logical language and are variants of goal regression, such as the familiar explanation based generalization (EBG) procedure. But because predicate calculus is a poor representation for some domains, these learning algorithms are extended to apply to other computational models. It is shown that the goal regression technique applies to a large family of programming languages, all based on a kind of term rewriting system. Included in this family are three language families of importance to artificial intelligence: logic programming, such as Prolog; lambda calculus, such as LISP; and combinatorial based languages, such as FP. A new analytical learning algorithm, AL-2, is exhibited that learns from success but is otherwise quite different from EBG. These results suggest that term rewriting systems are a good framework for analytical learning research in general, and that further research should be directed toward developing new techniques.

Laird, Philip↗
DOE OSTI2024

Enabling dynamic 3D coherent diffraction imaging via adaptive latent space tuning of generative autoencoders

Abstract Coherent diffraction imaging (CDI) is an advanced non-destructive 3D X-ray imaging technique for measuring a sample’s electron density. The main challenge of CDI is loss of phase information in diffraction intensity measurements, resulting in lengthy iterative reconstruction processes that can return non-unique solutions, which pose challenges for experiments attempting to track dynamic sample evolution through multiple states. As the increased brightness of fourth-generation light sources enables faster sample measurements and drives operando experiments with Bragg CDI, there is a growing need for faster reconstruction techniques that can keep pace. We have developed an adaptive generative autoencoder approach for uniquely tracking a sample’s electron density as it dynamically evolves. Our approach adaptively tunes the low-dimensional latent embedding of a generative autoencoder, enabling a computationally efficient manner to account for time-varying shifting distributions in real-time. Analytic proof of convergence is provided as well as numerical demonstration of sample tracking with noisy measurements.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1984

Applications of an analysis of axisymmetric body effects on rotor performance and loads

A computationally efficient body analysis is developed and coupled with a comprehensive helicopter analysis to calculate the body-induced aerodynamic effects on rotor performance and loads. A modified slender body theory is used as the body model. With the objective of demonstrating the accuracy, efficiency, and application of the method, the analysis at this stage is restricted to axisymmetric bodies at zero angle of attack. By comparing with results from an exact analysis for simple body shapes, it is found that the modified slender body theory provides an accurate potential flow solution for moderately thick bodies, with only a 10-20 percent increase in computational effort over that of an isolated rotor analysis. The computational ease of this method provides a means for routine assessment of body-induced effects on a rotor. Results are given for several configurations that typify those being used in the NASA Ames 40 x 80-ft Wind Tunnel and in the rotor-body interference tests being conducted at NASA Ames.

Johnson, W.↗
NASA NTRS1992

A more accurate nonequilibrium air radiation code - NEQAIR second generation

Two experiments, one an equilibrium flow in a plasma torch at Stanford, the other a nonequilibrium flow in a SDIO/IST Bow-Shock-Ultra-Violet missile flight, have provided the basis for modifying, enhancing, and testing the well-known radiation code, NEQAIR. The original code, herein termed NEQAIR1, lacked computational efficiency, accurate data for some species and the flexibility to handle a variety of species. The modified code, herein termed NEQAIR2, incorporates recent findings in the spectroscopic and radiation models. It can handle any number of species and radiative bands in a gas whose thermodynamic state can be described by up to four temperatures. It provides a new capability of computing very fine spectra in a reasonable CPU time, while including transport phenomena along the line of sight and the characteristics of instruments that were used in the measurements. Such a new tool should allow more accurate testing and diagnosis of the different physical models used in numerical simulations of radiating, low density, high energy flows.

Moreau, Stephane↗
DOE OSTI2026

Transfer Learning Meets Embedded Correlated Wavefunction Theory for Chemically Accurate Molecular Simulations: Application to Calcium Carbonate Ion Pairing

Achieving chemical accuracy for molecular simulations remains a central challenge in computational chemistry. Here, we present an embedded correlated wavefunction transfer learning (ECW-TL) framework for accurately simulating molecular dynamics in the condensed phase. ECW-TL incorporates high-level electron exchange and correlation effects in ECW theory while preserving the training and computational efficiency of machine-learned interatomic potentials. We demonstrate the framework on Ca 2+ –CO 3 2– ion pairing in aqueous solution, a key process underlying CO 2 mineralization in seawater. As proof of principle, we first show that fine-tuning a DFT-revPBE-D3(BJ) baseline model with embedded-DFT-SCAN data reproduces the DFT-SCAN free-energy surface within 1 kcal/mol across all solvation states. Extending the framework to embedded MP2 and localized natural-orbital CCSD(T) further refines the free-energy profile, revealing the crucial role of exact electron exchange and correlation in determining ion-pair stability and structure. The computed ion-pair association free energy is in quantitative agreement with experimental measurements, further validating the accuracy of the ECW-TL framework. ECW-TL thus provides a general, data-efficient route for transferring CW accuracy to efficient simulations of complex aqueous and interfacial chemical processes.

cluster chemistry↗
DOE OSTI2024

Extracting and Interpreting Electrochemical Impedance Spectra (EIS) from Physics-Based Models of Lithium-Ion Batteries

This paper implements a highly efficient algorithm to extract electrochemical impedance spectra (EIS) from physics-based battery models (e.g., a P2D model). The mathematical approach is different from how EIS is practiced experimentally. Experimentally, the voltage (current) is harmonically perturbed over a wide range of frequencies and the amplitude and phase shift of the corresponding current (voltage) is measured. The experimental approach can be implemented in simulation software, but is computationally expensive. The approach here is to determine locally linear state-space models from the full physical model. The four Jacobian matrices that are the basis of the state-space models can be derived by numerical differentiation of the physical model. The EIS is then extracted from the state-space model using computationally efficient matrix-manipulation techniques. The algorithm can evaluate the full EIS at an instant in time during a transient, independent of whether the battery is in a stationary state. The approach is also able to separate the full-cell impedance to evaluate partial EIS, such as for a battery anode alone. Although such partial EIS is difficult to measure experimentally, the partial EIS provides valuable insights in interpreting the full-cell EIS.

25 ENERGY STORAGE↗
NASA NTRS1991

Formal and heuristic system decomposition methods in multidisciplinary synthesis

The multidisciplinary interactions which exist in large scale engineering design problems provide a unique set of difficulties. These difficulties are associated primarily with unwieldy numbers of design variables and constraints, and with the interdependencies of the discipline analysis modules. Such obstacles require design techniques which account for the inherent disciplinary couplings in the analyses and optimizations. The objective of this work was to develop an efficient holistic design synthesis methodology that takes advantage of the synergistic nature of integrated design. A general decomposition approach for optimization of large engineering systems is presented. The method is particularly applicable for multidisciplinary design problems which are characterized by closely coupled interactions among discipline analyses. The advantage of subsystem modularity allows for implementation of specialized methods for analysis and optimization, computational efficiency, and the ability to incorporate human intervention and decision making in the form of an expert systems capability. The resulting approach is not a method applicable to only a specific situation, but rather, a methodology which can be used for a large class of engineering design problems in which the system is non-hierarchic in nature.

Bloebaum, Christina L.↗
NASA NTRS1991

Discrete Kalman filtering equations of second-order form for control-structure interaction simulations

A second-order form of discrete Kalman filtering equations is proposed as a candidate state estimator for efficient simulations of control-structure interactions in coupled physical coordinate configurations as opposed to decoupled modal coordinates. The resulting matrix equation of the present state estimator consists of the same symmetric, sparse N x N coupled matrices of the governing structural dynamics equations as opposed to unsymmetric 2N x 2N state space-based estimators. Thus, in addition to substantial computational efficiency improvement, the present estimator can be applied to control-structure design optimization for which the physical coordinates associated with the mass, damping and stiffness matrices of the structure are needed instead of modal coordinates.

Park, K. C.↗
NASA NTRS1998

An Introduction to the BFS Method and Its Use to Model Binary NiAl Alloys

We introduce the Bozzolo-Ferrante-Smith (BFS) method for alloys as a computationally efficient tool for aiding in the process of alloy design. An intuitive description of the BFS method is provided, followed by a formal discussion of its implementation. The method is applied to the study of the defect structure of NiAl binary alloys. The groundwork is laid for a detailed progression to higher order NiAl-based alloys linking theoretical calculations and computer simulations based on the BFS method and experimental work validating each step of the alloy design process.

Bozzolo, Guillermo↗
NASA NTRS1999

A Shell/3D Modeling Technique for Delaminations in Composite Laminates

A shell/3D modeling technique was developed for which a local solid finite element model is used only in the immediate vicinity of the delamination front. The goal was to combine the accuracy of the full three-dimensional solution with the computational efficiency of a plate or shell finite element model. Multi-point constraints provide a kinematically compatible interface between the local 3D model and the global structural model which has been meshed with plate or shell finite elements. For simple double cantilever beam (DCB), end notched flexure (ENF), and single leg bending (SLB) specimens, mixed mode energy release rate distributions were computed across the width from nonlinear finite element analyses using the virtual crack closure technique. The analyses served to test the accuracy of the shell/3D technique for the pure mode I case (DCB), mode II case (ENF) and a mixed mode I/II case (SLB). Specimens with a unidirectional layup where the delamination is located between two 0 plies, as well as a multidirectional layup where the delamination is located between two non-zero degree plies, were simulated. For a local 3D model extending to a minimum of about three specimen thicknesses in front of and behind the delamination front, the results were in good agreement with mixed mode strain energy release rates obtained from computations where the entire specimen had been modeled with solid elements. For large built-up composite structures modeled with plate elements, the shell/3D modeling technique offers a great potential, since only a relatively small section in the vicinity of the delamination front needs to be modeled with solid elements.

Krueger, Ronald↗
NASA NTRS2019

Dynamic Replanning of Low Noise Rotorcraft Operations

A new method for rapidly planning and dynamically replanning low noise rotorcraft flight operations is developed. A large database of rotorcraft maneuver segments is generated, and an acoustic cost is assigned to each segment by using a computationally efficient semiempirical rotorcraft noise modeling method that accurately models the changes in rotor noise caused by maneuvering flight. Combinatoric optimization techniques are then employed to combine these maneuver segments into a low noise optimal flight path. A simple heuristic for estimating the total acoustic cost required to reach the target location is developed and incorporated into the search algorithm, allowing the computation of low noise paths in seconds. A procedure for implementing an “anytime” version of the method is described, enabling feasible solutions to be dynamically replanned “on the fly”—i.e., in fractions of a second—and refined over time to a low noise optimal solution.

Greenwood, Eric↗