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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
NASA NTRS1987

Estimation of geopotential from satellite-to-satellite range rate data: Numerical results

A technique for high-resolution geopotential field estimation by recovering the harmonic coefficients from satellite-to-satellite range rate data is presented and tested against both a controlled analytical simulation of a one-day satellite mission (maximum degree and order 8) and then against a Cowell method simulation of a 32-day mission (maximum degree and order 180). Innovations include: (1) a new frequency-domain observation equation based on kinetic energy perturbations which avoids much of the complication of the usual Keplerian element perturbation approaches; (2) a new method for computing the normalized inclination functions which unlike previous methods is both efficient and numerically stable even for large harmonic degrees and orders; (3) the application of a mass storage FFT to the entire mission range rate history; (4) the exploitation of newly discovered symmetries in the block diagonal observation matrix which reduce each block to the product of (a) a real diagonal matrix factor, (b) a real trapezoidal factor with half the number of rows as before, and (c) a complex diagonal factor; (5) a block-by-block least-squares solution of the observation equation by means of a custom-designed Givens orthogonal rotation method which is both numerically stable and tailored to the trapezoidal matrix structure for fast execution.

Thobe, Glenn E.↗
NASA NTRS1991

Dynamic stress intensity analysis of cracked panels

A spectral analysis method is presented for the extraction of frequency dependent strain energy release rates and stress intensity factors. The approach is based on the crack closure technique and is formulated directly in the frequency domain. Because of this, it is computationally more efficient than an alternative time domain approach for systems exhibiting peak behavior. The method is demonstrated for a center cracked panel subject to static in-plane and random acoustic loading.

Rizzi, Stephen A.↗
NASA NTRS2004

Bayesian Vision for Shape Recovery

We present a new Bayesian vision technique that aims at recovering a shape from two or more noisy observations taken under similar lighting conditions. The shape is parametrized by a piecewise linear height field, textured by a piecewise linear irradiance field, and we assume Gaussian Markovian priors for both shape vertices and irradiance variables. The observation process. also known as rendering, is modeled by a non-affine projection (e.g. perspective projection) followed by a convolution with a piecewise linear point spread function. and contamination by additive Gaussian noise. We assume that the observation parameters are calibrated beforehand. The major novelty of the proposed method consists of marginalizing out the irradiances considered as nuisance parameters, which is achieved by Laplace approximations. This reduces the inference to minimizing an energy that only depends on the shape vertices, and therefore allows an efficient Iterated Conditional Mode (ICM) optimization scheme to be implemented. A Gaussian approximation of the posterior shape density is computed, thus providing estimates both the geometry and its uncertainty. We illustrate the effectiveness of the new method by shape reconstruction results in a 2D case. A 3D version is currently under development and aims at recovering a surface from multiple images, reconstructing the topography by marginalizing out both albedo and shading.

Jalobeanu, Andre↗
DOE OSTI2024

Bias Correction and Statistical Downscaling of Future Solar Irradiance Projections Using the NSRDB

Assessing renewable energy resources under future climate scenarios has been highlighted to understand potential impacts of future climate change in renewable generation on the power sector. Climate model projection has been recognized by the renewable energy community as a useful data set to analyze the impacts of future climate change on renewable resources. However, future climate projections generated from general circulation models (GCMs) contain inherent biases that need to be corrected for accurate analysis of future projections of climate variables. In addition, the coarse spatiotemporal resolution of GCMs needs to be improved for regional climate studies. In this work, we develop statistical methods to downscale future projections of global horizontal irradiance (GHI) in a computationally efficient way. Our approach builds statistical downscaling models that correct bias of climate projection of GHI and downscale the future GHI projection from daily-scale to hourly-scale. The National Solar Radiation Database (NSRDB) is used to calibrate the statistical models and validate the downscaled GHI projections across the contiguous United State (CONUS). Preliminary results show that the statistical approach efficiently downscales climate projections of GHI with a nBIAS of 3%, nMAE of 34 % and nRMSE of 46% calculated against NSRDB for CONUS. This study describes the implemented methodology and initial results as well as future research to create high-resolution climate data sets for solar energy applications.

analytical models↗
DOE OSTI2025

Differentiable lagrangian shock hydrodynamics with application to stable shock acceleration of density interfaces

We develop a gradient based optimization approach for the equations of compressible, Lagrangian hydrodynamics and demonstrate how it can be employed to automatically uncover strategies to control hydrodynamic instabilities arising from shock acceleration of density interfaces. Strategies for controlling the Richtmyer-Meshkov instability (RMI) are of great benefit for inertial confinement fusion (ICF) where shock interactions with many small imperfections in the density interface lead to instabilities which rapidly grow over time. These instabilities lead to mixing which, in the case of laser driven ICF, quenches the runaway fusion process ruining the potential for positive energy return. Here, we demonstrate that control of these instabilities can be achieved by optimization of initial conditions with ( > 100) parameters. Optimizing over a large parameter space like this is not possible with gradient-free optimization strategies. This requires computation of the gradient of the outputs of a numerical solution to the equations of Lagrangian hydrodynamics with respect to the inputs. We show that the efficient computation of these gradients is made possible via a judicious application of (i) adjoint methods, the exact formal representation of sensitivities involving partial differential equations, and (ii) automatic differentiation (AD), the algorithmic calculation of derivatives of functions. Careful regularization of multiple operators including artificial viscosity and timestep control is required. We perform design optimization of > 100 parameter energy field driving the Richtmyer Meshkov instability showing significant suppression while simultaneously enhancing the acceleration of the interface relative to a nominal baseline case.

Hydrophysics↗
DOE OSTI2024

Force-Free Identification of Minimum-Energy Pathways and Transition States for Stochastic Electronic Structure Theories

Here, the accurate mapping of potential energy surfaces (PESs) is crucial to our understanding of the numerous physical and chemical processes mediated by atomic rearrangements, such as conformational changes and chemical reactions, and the thermodynamic and kinetic feasibility of these processes. Stochastic electronic structure theories, e.g., Quantum Monte Carlo (QMC) methods, enable highly accurate total energy calculations that in principle can be used to construct the PES. However, their stochastic nature poses a challenge to the computation and use of forces and Hessians, which are typically required in algorithms for minimum-energy pathway (MEP) and transition state (TS) identification, such as the nudged elastic band (NEB) algorithm and its climbing image formulation. Here, we present strategies that utilize the surrogate Hessian line-search method, previously developed for QMC structural optimization, to efficiently identify MEP and TS structures without requiring force calculations at the level of the stochastic electronic structure theory. By modifying the surrogate Hessian algorithm to operate in path-orthogonal subspaces and at saddle points, we show that it is possible to identify MEPs and TSs by using a force-free QMC approach. We demonstrate these strategies via two examples, the inversion of the ammonia (NH 3 ) molecule and the nucleophilic substitution (S N 2) reaction F – + CH 3 F → FCH 3 + F – . We validate our results using Density Functional Theory (DFT)- and Coupled Cluster (CCSD, CCSD(T))-based NEB calculations. We then introduce a hybrid DFT-QMC approach to compute thermodynamic and kinetic quantities, free energy differences, rate constants, and equilibrium constants that incorporates stochastically optimized structures and their energies, and show that this scheme improves upon DFT accuracy. Our methods generalize straightforwardly to other systems and other high-accuracy theories that similarly face challenges computing energy gradients, paving the way for highly accurate PES mapping, transition state determination, and thermodynamic and kinetic calculations at significantly reduced computational expense.

Iyer, Gopal R.↗
DOE OSTI2024

Deep Reinforcement Learning for Microgrid Cost Optimization Considering Load Flexibility

This paper proposes a novel Soft-Actor-Critic (SAC) based Deep Reinforcement Learning (DRL) method for optimizing the cost of microgrid operation by leveraging load flexibility. The proposed SAC-DRL method is designed to coordinate the control of distributed energy resources (DERs) and flexible load, addressing practical energy billing formation by power distribution utilities. Key contributions include an innovative reward function to mitigate sparse reward challenges and a mixed control strategy for discrete and continuous variables, ensuring radial network topology and minimizing power loss. We evaluate the proposed method on the model of a real microgrid located in Southern California, U.S.. The SAC-DRL model is tested to demonstrate its efficacy in reducing grid dependence, optimizing resource use, and minimizing costs. The results highlight the potential of DRL in modern energy systems, offering a sustainable and economically efficient solution for energy management in microgrids.

deep reinforcement learning↗
DOE OSTI2025

Capacity Design Method for Integrated Convective/Radiant Terminals to Guarantee Overall and Local Environment

To achieve energy efficiency in the operation of heating devices and ensure thermal comfort in indoor environments, the integrated convective/radiant terminals have become an important development direction for heating systems. This study selected a 14 m 2 bedroom hot summer and cold winter region in China as a case study. Computational Fluid Dynamics (CFD) methodology was used to investigate the design of integrated convective/radiant terminals to ensure thermal comfort for both the entire room and partial space. The results indicate that focusing on partial space during the steady-state stage can achieve energy savings of 31.1% compared to guaranteeing the entire room. Additionally, during the start-up stage, there is a significant reduction of convective unit capacity by 17.6% when the start-up time is 15 minutes. These findings provide data support for the design and engineering applications of products of integrated convective/radiant terminals. Besides, the excess convection ratios for the entire room and partial space are specified as 0.69 to 0.80 and 0.73 to 0.83, respectively.

Chi, Junjie↗
DOE OSTI2025

Benchmarking Density Functional Theory Methods for Efficient Calculations of a Strongly Correlated Li 1– x Ni 1– y O 2−δ System

Transition metal oxides (TMOs), such as LiNiO 2 , are promising candidates for energy storage and electronic devices due to their unique electronic properties, exceptional physical and chemical characteristics, and ability to adopt multiple oxidation states. However, accurately predicting their properties using mean-field density functional theory (DFT) is challenging due to the presence of strongly correlated d-electrons and the complex interplay between their structural, electronic, and magnetic responses. These challenges are further exacerbated by the need to model defects, surfaces, and interfaces, which require computationally efficient, large-scale simulations. To address these issues, we carry out a benchmark study on the Li 1–x NiO 2 system, evaluating the performance of several popular functionals. Our findings demonstrate that combining SCAN functional relaxation with single-step HSE calculations provides a practical and scalable computational strategy. This approach balances accuracy and efficiency, enabling high-throughput simulations of strongly correlated TMOs and improved predictive modeling capability of TMOs for practical applications.

25 ENERGY STORAGE↗
NASA NTRS2002

Annual Research Briefs, 2002: Center for Turbulence Research

Turbulent combustion remains the largest component of the CTR's core program. This program and several related activities at CTR are supported by NASA's Ultra Efficient Engine Technology Program. It is also intimately connected with the Department of Energy's ASCI program at Stanford which develops the technology for numerical simulation of realistic aircraft engines using state of the art massively parallel computers. In combustion modeling the attention has been directed to the modeling of higher levels of complexity such as spray dynamics, radiation and soot formation. Major aircraft engine manufacturers have shown considerable interest in this program; in particular, a significant active collaboration exists between CTR and the Pratt & Whitney Corporation. CTR's combustion program is essentially based on the large-eddy simulation technique, LES, which is actively being pursued at CTR for this and many other applications. Important accomplishments in LES included simulations with three-dimensional filters which result in grid independent calculations (that is why we call it "true" LES), and the development of the methodology for integration of LES and Reynolds Averaged computations. Optimization techniques are being studied and used for the important problem of wall boundary conditions for LES as well as for optimal shape design for aeroacoustic and aerodynamic performance gains.

ULTRA EFFICIENT ENGINE TECHNOLOGY↗
DOE OSTI2025

Memristive linear algebra

The advent of memristive devices offers a promising avenue for efficient and scalable analog computing, particularly for linear algebra operations essential in various scientific and engineering applications. This paper investigates the potential of memristive crossbars in implementing matrix inversion algorithms. We explore both static and dynamic approaches, emphasizing the advantages of analog and in-memory computing for matrix operations beyond multiplication. In particular, we demonstrate that the electrical properties of memristive crossbars uniquely suit them for the evolution of a family of matrix exponentials, which can be exploited for the efficient computation of matrix inverses and online solutions for linear problems. Our results demonstrate that memristive arrays can reduce computational complexity. We also study power consumption and show a tradeoff between precision and energy. Furthermore, we address the challenges of device variability, precision, and scalability, providing insights into the practical implementation of these algorithms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1983

Influence of computational fluid dynamics on experimental aerospace facilities: A fifteen year projection

An assessment was made of the impact of developments in computational fluid dynamics (CFD) on the traditional role of aerospace ground test facilities over the next fifteen years. With improvements in CFD and more powerful scientific computers projected over this period it is expected to have the capability to compute the flow over a complete aircraft at a unit cost three orders of magnitude lower than presently possible. Over the same period improvements in ground test facilities will progress by application of computational techniques including CFD to data acquisition, facility operational efficiency, and simulation of the light envelope; however, no dramatic change in unit cost is expected as greater efficiency will be countered by higher energy and labor costs.

Source record↗
NASA NTRS2011

Kinetic Monte Carlo Simulation of Oxygen and Cation Diffusion in Yttria-Stabilized Zirconia

Yttria-stabilized zirconia (YSZ) is of interest to the aerospace community, notably for its application as a thermal barrier coating for turbine engine components. In such an application, diffusion of both oxygen ions and cations is of concern. Oxygen diffusion can lead to deterioration of a coated part, and often necessitates an environmental barrier coating. Cation diffusion in YSZ is much slower than oxygen diffusion. However, such diffusion is a mechanism by which creep takes place, potentially affecting the mechanical integrity and phase stability of the coating. In other applications, the high oxygen diffusivity of YSZ is useful, and makes the material of interest for use as a solid-state electrolyte in fuel cells. The kinetic Monte Carlo (kMC) method offers a number of advantages compared with the more widely known molecular dynamics simulation method. In particular, kMC is much more efficient for the study of processes, such as diffusion, that involve infrequent events. We describe the results of kinetic Monte Carlo computer simulations of oxygen and cation diffusion in YSZ. Using diffusive energy barriers from ab initio calculations and from the literature, we present results on the temperature dependence of oxygen and cation diffusivity, and on the dependence of the diffusivities on yttria concentration and oxygen sublattice vacancy concentration. We also present results of the effect on diffusivity of oxygen vacancies in the vicinity of the barrier cations that determine the oxygen diffusion energy barriers.

Good, Brian↗
DOE OSTI2026

There and Back Again: Reimagining Cryogenic Cooling for Scalable Arrays of Dilution Refrigerators for future Quantum Datacenters

While pulse tube cryocoolers enabled the rapid expansion of dilution refrigerator technology over the past two decades, the transition to large-scale quantum systems is now driving a reassessment of the DR’s higher-temperature-stage cooling strategies and how these systems can be effectively scaled in a modular way. Quasi-wet architectures based on centralized cryoplants and forced-flow helium distribution offer compelling advantages in energy efficiency, operational cost, and scalability. With appropriate redundancy, standardized interfaces, and optimized distribution system designs, these architectures will provide a practical and robust path forward for the next generation of quantum computing infrastructure.

Hansen, B. [Fermilab]↗
DOE OSTI2026

Toward an AI-Powered Software Pipeline for Real-Time Tracking and Analysis of Wildfire and Smoke

Real-time tracking of wildfires and smoke is crucial for effective response, minimizing damage, protecting lives, and efficiently managing resources during fire emergencies. We develop a web-based AI-powered pipeline that detects wildfires in aerial video and estimates deployment-relevant behavior metrics, including cumulative burned area, burned-area growth rate, fire spread direction, and smoke dispersion. The system combines a YOLO-based detector with YCbCr-based fire segmentation, HSV-based smoke segmentation, Farneback optical flow, and centroid-based spatiotemporal tracking. Using ground sampling distance (GSD), pixel-level fire masks are converted to physical burned-area measurements by correlating fire pixel counts with camera altitude and tilt angle. We benchmark YOLO variants and non-YOLO baselines (GoogLeNet, CNN, DBN, Autoencoder, U-Net, and AlexNet) on the IEEE FLAME dataset and a newly created aerial frame dataset, Wildfire-DB. Cross-dataset evaluation uses a strict threshold-transfer protocol: decision thresholds are selected on FLAME validation and transferred unchanged to Wildfire-DB to quantify generalization under domain shift. YOLOv6 achieves the strongest cross-dataset frame-level fire detection on Wildfire-DB (ROC-AUC 0.8200, PR-AUC 0.8044, and transferred-threshold F1 0.7596). For tracking-oriented deployment requiring oriented localization, YOLO11-OBB provides the most reliable cross-dataset behavior among OBB-capable models while remaining computationally feasible. To analyze the feasibility of UAV deployment, we further measure inference efficiency using synchronized GPU and CPU power logs on a fixed workload of 1569 frames. YOLO-family models process the video in 5.73–12.47 seconds with net energy of 1247.28–1775.39 J, substantially lower latency and energy than heavier classification and reconstruction baselines. Overall, model optimality depends on operational objectives: YOLOv6 is best for cross-dataset detection robustness, whereas YOL...

Color segmentation↗
DOE OSTI2025

SULI Intern Final Report: Computationally Investigating Hydrogen Thermo-Diffusion in Yttrium Hydride Using Multiscale Methods

The renaissance of nuclear energy has arrived, heralding an age of abundant inexpensive clean energy, and renewed space exploration. In nuclear-powered spacecraft and microreactors, safety and size are of utmost importance. Yttrium Hydride (YHx) is being researched for its utility as a neutron moderator in nuclear reactors; the hydrogen in YHx slows down neutrons, enabling a continuous nuclear reaction in the reactor. This has the benefit of allowing reactors to be more safe, compact, and efficient. The goal of this effort is to computationally predict the coefficient of temperature-dependent hydrogen diffusion within YHx, the Soret coefficient. This parameter is essential for determining the safe operating modes of YHx moderators. Zirconium Hydride (ZrHx) is used in the Training, Research, Isotopes, General Atomics (TRIGA) reactor, is the reference material for these calculations. In this work, nanoscale atomic modeling in the Vienna Ab initio Simulation Package (VASP) is combined with the mesoscale finite element phase-field module in the Multiphysics Object-Oriented Simulation Environment (MOOSE); this culminates in a new multiscale computational method to simulate Soret diffusion of hydrogen in YHx. This data is useful for predicting experimental outcomes. This workflow involves convergence testing followed by static, Nudged Elastic Band (NEB), Quasi-Harmonic Approximation (QHA), and Molecular Dynamics (MD) calculations - linked with phase field simulation. NEB simulates hydrogen migration, while QHA and MD predict temperature-dependent properties. The static calculations align with literature, and preliminary NEB and QHA calculations yield accurate results. Once the atomic calculations are complete, we will incorporate Electron Backscatter Diffraction (EBSD) images and VASP-generated parameters into the phase field module to simulate intra- and intergranular transport of hydrogen in ZrHx and YHx. Future research will extend our approach to fuel-moderator materials systems such as Uranium-Yttrium Hydride (U-YHx). This work contributes to the development of advanced nuclear energy solutions for space travel.

36 - MATERIALS SCIENCE↗
NASA NTRS2002

Analysis of Composite Skin-Stiffener Debond Specimens Using Volume Elements and a Shell/3D Modeling Technique

The debonding of a skin/stringer specimen subjected to tension was studied using three-dimensional volume element modeling and computational fracture mechanics. Mixed mode strain energy release rates were calculated from finite element results using the virtual crack closure technique. The simulations revealed an increase in total energy release rate in the immediate vicinity of the free edges of the specimen. Correlation of the computed mixed-mode strain energy release rates along the delamination front contour with a two-dimensional mixed-mode interlaminar fracture criterion suggested that in spite of peak total energy release rates at the free edge the delamination would not advance at the edges first. The qualitative prediction of the shape of the delamination front was confirmed by X-ray photographs of a specimen taken during testing. The good correlation between prediction based on analysis and experiment demonstrated the efficiency of a mixed-mode failure analysis for the investigation of skin/stiffener separation due to delamination in the adherents. The application of a shell/3D modeling technique for the simulation of skin/stringer debond in a specimen subjected to three-point bending is also demonstrated. The global structure was modeled with shell elements. A local three-dimensional model, extending to about three specimen thicknesses on either side of the delamination front was used to capture the details of the damaged section. Computed total strain energy release rates and mixed-mode ratios obtained from shell/3D simulations were in good agreement with results obtained from full solid models. The good correlations of the results demonstrated the effectiveness of the shell/3D modeling technique for the investigation of skin/stiffener separation due to delamination in the adherents.

Krueger, Ronald↗
DOE OSTI2025

Universal energy-speed-accuracy trade-offs in driven nonequilibrium systems

The connection between measure theoretic optimal transport and dissipative nonequilibrium dynamics provides a language for quantifying nonequilibrium control costs, leading to a collection of thermodynamic speed limits, which rely on the assumption that the target probability distribution is perfectly realized. This is almost never the case in experiments or numerical simulations, so here we address the situation in which the external controller is imperfect. We obtain a lower bound for the dissipated work in generic nonequilibrium control problems that (1) is asymptotically tight and (2) matches the thermodynamic speed limit in the case of optimal driving. Along with analytically solvable examples, we refine this imperfect driving notion to systems in which the controlled degrees of freedom are slow relative to the nonequilibrium relaxation rate, and identify independent energy contributions from fast and slow degrees of freedom. Furthermore, we develop a strategy for optimizing minimally dissipative protocols based on optimal transport flow matching, a generative machine learning technique. Furthermore, this latter approach ensures the scalability of both the theoretical and computational framework we put forth. Crucially, we demonstrate that we can compute the terms in our bound numerically using efficient algorithms from the computational optimal transport literature and that the protocols we learn saturate the bound.

59 BASIC BIOLOGICAL SCIENCES↗