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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 1,477 records · Page 82
All sourcesNASA NTRSDOE OSTI
NASA NTRS1993

Single block three-dimensional volume grids about complex aerodynamic vehicles

This paper presents an alternate approach for the generation of volumetric grids for supersonic and hypersonic flows about complex configurations. The method uses parametric two-dimensional block-face grid definitions, within the framework of GRIDGEN2D. The incorporation of a face decomposition reduces complex surfaces to simple shapes. These simple shapes are recombined to obtain the final face definition. The advantages of this method include the reduction of overall grid generation time through the use of vectorized computer code, the elimination of generating matching block faces, and simplified boundary conditions.

Alter, Stephen J.↗
NASA NTRS1994

Development and Applications of 3D Cartesian CFD Technology

The urgent need for dramatic reductions in aircraft design cycle time is focusing scrutiny upon all aspects of computational fluid dynamics (CFD). These reductions will most likely come not from increased reliance upon user-interactive (and therefore time-expensive) methods, but instead from methods that can be fully automated and incorporated into 'black box' solutions. In comparison with tetrahedral methods, three-dimensional Cartesian grid approaches are in relative infancy, but initial experiences with automated Cartesian techniques are quite promising. Our research is targeted at furthering the development of Cartesian methods so that they can become key elements of a completely automatic grid generation/flow solution procedure applicable to the Euler analysis of complex aircraft geometries.

Melton, John E.↗
NASA NTRSDate not supplied

Least Squares Reverse Time Migration (LSRTM) for Damage Imaging in Composite Laminates

A method for adapting least squares reverse time migration (LSRTM) for ultrasonic guided wave imaging of composite laminates is proposed in this paper. As composites become more widely used in fields such as the aerospace industry, the need for high-resolution imaging in structural health monitoring (SHM) and nondestructive evaluation (NDE) is also growing. For instance, delamination is a common problem in composite laminates, which has led to a certain degree of apprehension in the use of composite materials for load-bearing structures. Although the solver-based imaging techniques using conventional reverse time migration (RTM) methods illuminate damage with a wide range of damage-scattering effects, the resulting images do not fully define the damage regions due to the limited data acquisition aperture, sensor density, frequencies/wavelengths, and incompleteness of adjoint reconstruction. Previously, the LSRTM theory was derived by incorporating a least squares migration (LSM) algorithm into RTM, and benchmarked its high-resolution damage imaging performance for isotropic plates. To improve damage imaging in composite laminates, a process to create an ultrasonic guided wave-based LSRTM method for anisotropic materials is proposed in this paper. The derivation of the forward modeling operator and the adjoint operator is presented. Numerical case studies were conducted to show the improvement of LSRTM over RTM in mapping damage in composite plates. Multiple damage sites or damage with a complex shape were created in the numerical studies based on 1) Born approximation-based modeling or 2) reduction of the plate stiffness-based modeling. LSRTM begins by using a forward modeling process. The forward modeling accuracy for the flexural wave solver used in this study for LSRTM was also compared with the results from a three-dimensional rotated staggered grid (RSG) elastodynamic finite difference solver, previously open-sourced by NASA Langley Research Center. These benchmarking studies have shown that the LSRTM method is more effective in reducing artifacts, improving resolution, and enhancing damage model reconstruction compared to RTM in composite laminates.

Jiaze He↗
DOE OSTI2025

Compressing Vision Transformers in Geospatial Transfer Learning with Manifold-Constrained Optimization

Deploying geospatial foundation models on resource-constrained edge devices demands compact architectures that maintain high downstream performance. However, their large parameter counts and the accuracy loss often induced by compression limit practical adoption.In this work, we leverage manifold-constrained optimization framework DLRT to compress large vision transformer–based geospatial foundation models during transfer learning. By enforcing structured low-dimensional parameterizations aligned with downstream objectives, this approach achieves strong compression while preserving task-specific accuracy. We show that the method outperforms of-the-shelf low-rank methods as LoRA. Experiments on diverse geospatial benchmarks confirm substantial parameter reduction with minimal accuracy loss, enabling high-performing, on-device geospatial models.

Snyder, Thomas [Yale University]↗
DOE OSTI2024

Sustainable and Energy-Efficient Production of Rare-Earth Metals via Chloride-Based Molten Salt Electrolysis

Neodymium metal is a critical component of rare earth magnets, essential for electric vehicles and the green energy transition, but its production has severe environmental impacts across its mining, separation, purification, and metal electrowinning steps. Specifically, conventional neodymium electrowinning in oxyfluoride molten salts using a consumable graphite anode generates greenhouse gases, e.g., carbon dioxide and perfluorocarbon (PFC). We propose an alternative chloride-based molten salt electrolysis process utilizing a novel dimensionally stable anode (DSA). Our process lowers the specific electrical energy consumption compared to the state of the art, while producing reusable chlorine gas and eliminating direct CO 2 and PFC emissions. Chloride-based molten salt electrolysis of NdCl 3 (1.65 M) added to a LiCl–KCl eutectic (45:55 wt %), while using a RuO 2 -coated DSA enables high Coulombic efficiency (>80%), low specific energy consumption (2.3 kWh/kg-Nd), and excellent electrowon Nd product purity (>97 wt %). Life cycle analysis, excluding the common input feedstock (Nd 2 O 3 ), shows that the global warming potential for the proposed chloride-based electrolysis approach is 5 kg CO 2 equivalent, compared to 9–16 kg CO 2 equivalent for the conventional process, representing a 44–69% reduction in CO 2 emissions.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Fluorescence intermittency originates from reclustering in two-dimensional organic semiconductors

Fluorescence intermittency or blinking is observed in nearly all nanoscale fluorophores. It is characterized by universal power-law distributions in on- and off-times as well as 1/f behaviour in corresponding emission power spectral densities. Blinking, previously seen in confined zero- and one-dimensional systems has recently been documented in two-dimensional reduced graphene oxide. Here we show that unexpected blinking during graphene oxide-to-reduced graphene oxide photoreduction is attributed, in large part, to the redistribution of carbon sp 2 domains. This reclustering generates fluctuations in the number/size of emissive graphenic nanoclusters wherein multiscale modelling captures essential experimental aspects of reduced graphene oxide’s absorption/emission trajectories, while simultaneously connecting them to the underlying photochemistry responsible for graphene oxide’s reduction. These simulations thus establish causality between currently unexplained, long timescale emission intermittency in a quantum mechanical fluorophore and identifiable chemical reactions that ultimately lead to switching between on and off states.

36 MATERIALS SCIENCE↗
DOE OSTI2012

PLANET-DISK INTERACTION IN THREE DIMENSIONS: THE IMPORTANCE OF BUOYANCY WAVES

We carry out local three-dimensional (3D) hydrodynamic simulations of planet-disk interaction in stratified disks with varied thermodynamic properties. We find that whenever the Brunt-Vaeisaelae frequency (N) in the disk is non-zero, the planet exerts a strong torque on the disk in the vicinity of the planet, with a reduction in the traditional 'torque cutoff'. In particular, this is true for adiabatic perturbations in disks with isothermal density structure, as should be typical for centrally irradiated protoplanetary disks. We identify this torque with buoyancy waves, which are excited (when N is non-zero) close to the planet, within one disk scale height from its orbit. These waves give rise to density perturbations with a characteristic 3D spatial pattern which is in close agreement with the linear dispersion relation. The torque due to these waves can amount to as much as several tens of percent of the total planetary torque, which is not expected based on analytical calculations limited to axisymmetric or low-m modes. Buoyancy waves should be ubiquitous around planets in the inner, dense regions of protoplanetary disks, where they might possibly affect planet migration.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2011

Vlasov simulation in multiple spatial dimensions

A long-standing challenge encountered in modeling plasma dynamics is achieving practical Vlasov equation simulation in multiple spatial dimensions over large length and time scales. While direct multi-dimension Vlasov simulation methods using adaptive mesh methods [M. Gutnic et al., Comput. Phys. Commun. 164, 214 (2004)] have recently shown promising results in two dimensions (2D) [J. W. Banks et al., Phys. Plasmas 18, 052102 (2011); B. I. Cohen et al., November 10, 2010, http://meetings.aps.org/link/BAPS.2010.DPP.NP9.142], in this paper, we present an alternative, the Vlasov multi dimensional (VMD) model, that is specifically designed to take advantage of solution properties in regimes when plasma waves are confined to a narrow cone, as may be the case for stimulated Raman scatter in large optic f laser beams. Perpendicular grid spacing large compared to a Debye length is then possible without instability or loss of accuracy, enabling an order 10 decrease in required computational resources compared to standard particle in cell (PIC) methods in 2D, with another reduction of that order in 3D. Further advantage compared to PIC methods accrues in regimes where particle noise is an issue. VMD and PIC results in a 2D model of localized Langmuir waves are in qualitative agreement.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Laser-Generated Ag Nanoparticles in Mesoporous TiO 2 Films: Formation Processes and Modeling-Based Size Prediction

Controlling the formation of nanoparticles (NPs) by direct laser writing ensures an efficient way of engineering the optical responses of nanocomposite materials through adjusting laser parameters such as power, focusing, and writing speed. The growth of NPs, photo-oxidation, and reduction affect the light absorption by an ensemble of laser-activated NPs. However, those self-consistent processes are not well understood. Previous studies explained the growth or shrinkage of silver NPs by neglecting heat diffusion. It remained unclear, however, how the NP size can be controlled by the laser writing speed. In this work, based on the coupled calculations of size variation, heat diffusion, and light absorption by an ensemble of NPs, we propose a two-dimensional model taking into account the spatial information of size and temperature. The spatial size distribution is revealed to be nonuniform, leading to the transmission inhomogeneity along the laser written lines. This fact is confirmed by the in situ transmission experiments. The performed study also depicts a novel view in which NPs grow ahead of the laser beam center because of the heat diffusion. The nonlinear growth never stops until it exhausts the majority of the free Ag 0 in the matrix, while the amount of Ag 0 by reduction cannot compensate the consumption. After that, the photo-oxidation dominates the process and finally controls the writing speed dependency of NP's size. Finally, the simulations also show that it is not the activation energy of Ag 0 diffusion, but the ionization efficiency affects the final NP size, which helps to understand how to improve the laser processing of differently prepared samples.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Progressive construction of a parametric reduced‐order model for PDE‐constrained optimization

Summary An adaptive approach to using reduced‐order models (ROMs) as surrogates in partial differential equations (PDE)‐constrained optimization is introduced that breaks the traditional offline‐online framework of model order reduction. A sequence of optimization problems constrained by a given ROM is defined with the goal of converging to the solution of a given PDE‐constrained optimization problem. For each reduced optimization problem, the constraining ROM is trained from sampling the high‐dimensional model (HDM) at the solution of some of the previous problems in the sequence. The reduced optimization problems are equipped with a nonlinear trust‐region based on a residual error indicator to keep the optimization trajectory in a region of the parameter space where the ROM is accurate. A technique for incorporating sensitivities into a reduced‐order basis is also presented, along with a methodology for computing sensitivities of the ROM that minimizes the distance to the corresponding HDM sensitivity, in a suitable norm. The proposed reduced optimization framework is applied to subsonic aerodynamic shape optimization and shown to reduce the number of queries to the HDM by a factor of 4‐5, compared with the optimization problem solved using only the HDM, with errors in the optimal solution far less than 0.1%. Copyright © 2014 John Wiley & Sons, Ltd.

Zahr, Matthew J.↗
DOE OSTI2023

Accelerating Markov Chain Monte Carlo sampling with diffusion models

Global fits of physics models require efficient methods for exploring high-dimensional and/or multimodal posterior functions. We introduce a novel method for accelerating Markov Chain Monte Carlo (MCMC) sampling by pairing a Metropolis-Hastings algorithm with a diffusion model that can draw global samples with the aim of approximating the posterior. We briefly review diffusion models in the context of image synthesis before providing a streamlined diffusion model tailored towards low-dimensional data arrays. We then present our adapted Metropolis-Hastings algorithm which combines local proposals with global proposals taken from a diffusion model that is regularly trained on the samples produced during the MCMC run. Our approach leads to a significant reduction in the number of likelihood evaluations required to obtain an accurate representation of the Bayesian posterior across several analytic functions, as well as for a physical example based on a global fit of parton distribution functions. Our method is extensible to other MCMC techniques, and we briefly compare our method to similar approaches based on normalising flows. A code implementation can be found at https://github.com/NickHunt-Smith/MCMC-diffusion.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Monte Carlo MP2-F12 for Noncovalent Interactions: The C 60 Dimer

A scalable stochastic algorithm is presented that can evaluate explicitly correlated (F12) second-order many-body perturbation (MP2) energies of weak, noncovalent, intermolecular interactions. It first transforms the formulas of the MP2 and F12 energy differences into a short sum of high-dimensional integrals of Green’s functions in real space and imaginary time. Furthermore, these integrals are then evaluated by the Monte Carlo method augmented by parallel execution, redundant-walker convergence acceleration, direct-sampling autocorrelation elimination, and control-variate error reduction. By sharing electron-pair walkers across the supermolecule and its subsystems spanned by the joint basis set, the statistical uncertainty is reduced by one to 2 orders of magnitude in the MP2 binding energy corrected for the basis-set incompleteness and superposition errors. The method predicts the MP2-F12/aug-cc-pVDZ binding energy of 19.1 ± 4.0 kcal mol –1 for the C 60 dimer at the center distance of 9.748 Å.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

NONLINEAR EVOLUTION OF RAYLEIGH-TAYLOR INSTABILITY IN A RADIATION-SUPPORTED ATMOSPHERE

The nonlinear regime of Rayleigh-Taylor instability (RTI) in a radiation supported atmosphere, consisting of two uniform fluids with different densities, is studied numerically. We perform simulations using our recently developed numerical algorithm for multi-dimensional radiation hydrodynamics based on a variable Eddington tensor (VET) as implemented in Athena, focusing on the regime where scattering opacity greatly exceeds absorption opacity. We find that the radiation field can reduce the growth and mixing rate of RTI, but this reduction is only significant when radiation pressure significantly exceeds gas pressure. Small-scale structures are also suppressed in this case. In the nonlinear regime, dense fingers sink faster than rarefied bubbles can rise, leading to asymmetric structures about the interface. By comparing the calculations that use a VET versus the Eddington approximation, we demonstrate that anisotropy in the radiation field can affect the nonlinear development of RTI significantly. We also examine the disruption of a shell of cold gas being accelerated by strong radiation pressure, motivated by models of radiation driven outflows in ultraluminous infrared galaxies. We find that when the growth timescale of RTI is smaller than acceleration timescale, the amount of gas that would be pushed away by the radiation field is reduced due to RTI.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

(3 + 1)-dimensional Schwinger pair production with quantum computers

Real-time quantum simulation of quantum field theory in (3+1)D requires large quantum computing resources. With a few-qubit quantum computer, we develop a novel algorithm and experimentally study the Schwinger effect, the electron-positron pair production in a strong electric field, in (3+1)D. The resource reduction is achieved by treating the electric field as a background field, working in Fourier space transverse to the electric field direction, and considering parity symmetry, such that we successfully map the three spatial dimension problems into one spatial dimension problems. In this work, we observe that the rate of pair production of electrons and positrons is consistent with the theoretical predication of the Schwinger effect. Our work paves the way towards exploring quantum simulation of quantum field theory beyond one spatial dimension.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Nanotomography for Pore Characterization

Tomographic characterization can provide accurate data on 3-dimensional characteristics of pore morphology such as connectivity, tortuosity, and volume thickness. Nanotomography can resolve pores in the 200 nm - 50 micrometer size range. In this work, the pore and solid networks of direct reduced iron (DRI) pellets in various states of reduction were analyzed to provide quantitative characterization of their transformation during reduction from ore to metal, and the influence of different reducing conditions on morphological characteristics.

36 MATERIALS SCIENCE↗
NASA NTRS1973

Direct numerical solution of three-dimensional equations containing elliptic operators.

A direct three-dimensional elliptic solver is presented for application in a wide class of numerical methods for solving partial differential equations in physics and engineering. The derived algorithm and FORTRAN code implement Buzbee, Golub and Nielson's proposed extension of Buneman's Cyclic-Reduction Poisson solver to three dimensions. Both a 'most direct' cyclic reduction and a revised method (to eliminate roundoff error difficulties) are derived. Tests on an IBM 360/67 computer, using various optional combinations of subroutines, showed significant differences in accuracy and computing time, with the optimum subroutine combination depending on mesh size.

Martin, E. D.↗
NASA NTRS1974

Effect of inlet ingestion of a wing tip vortex on turbojet stall margin

A two-dimensional inlet and a turbojet engine were investigated in a Mach 0.4 stream so as to ingest the tip vortex of a forward mounted wing. Results show that ingestion of a wing tip vortex by a turbojet engine can cause a large reduction in engine stall margin. The loss in stall compressor pressure ratio was primarily dependent on vortex location and rotational direction and not on total-pressure variations across the compressor face.

Mitchell, G. A.↗