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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Quantification of MagLIF morphology using the Mallat scattering transformation

The morphology of the stagnated plasma resulting from magnetized liner inertial fusion is measured by imaging the self-emission x rays coming from the multi-keV plasma. Equivalent diagnostic responses can be generated by integrated radiation-magnetohydrodynamic (rad-MHD) simulations from programs such as HYDRA and GORGON. There have been only limited quantitative ways to compare the image morphology, that is the texture, of simulations and experiments. We have developed a metric of image morphology based on the Mallat scattering transformation (MST), a transformation that has proved to be effective at distinguishing textures, sounds, and written characters. This metric is designed, demonstrated, and refined by classifying ensembles (i.e., classes) of synthetic stagnation images and by regressing an ensemble of synthetic stagnation images to the morphology (i.e., model) parameters used to generate the synthetic images. We use this metric to quantitatively compare simulations to experimental images, experimental images to each other, and to estimate the morphological parameters of the experimental images with uncertainty. This coordinate space has proved to be very adept at doing a sophisticated relative background subtraction in the MST space. This was needed to compare the experimental self-emission images to the rad-MHD simulation images.

Glinsky, Michael E. (ORCID:0000000324933326)↗
DOE OSTI2022

Improved geophysical monitoring of carbon sequestration through parameter linkage to reservoir modeling

Predictive reservoir modeling, even if present in the form of only basic hydrogeological model assumptions, is expected to accompany the majority of carbon capture and sequestration monitoring activities. It thus represents a source of prior information about the migration of injected fluids that can benefit geophysical survey planning and ensuing monitoring. Constraining the imaging of geophysical monitoring data with reservoir modeling is preferable over standalone geophysical imaging because of additional complementary hydrogeological information. However, fully coupled hydrogeophysical data inversion for flow-modeling parameters that control saturation predictions is an involved process. Within the context of three-dimensional electromagnetic (EM) inversion of data from borehole-to-surface layouts, we employ a "poor people's" alternative. The approach constrains geophysical inversion parameters through saturation predictions. The coupling is realized through spatially variable lower and upper parameter bounds that scale with gas saturation magnitudes, the latter provided by reservoir modeling. In this work, enhancement of three-dimensional time-lapse plume EM imaging is demonstrated for simulated sequestration into a depleted gas reservoir.

58 GEOSCIENCES↗
DOE OSTI2022

Minimizing thickness variation in monolithic U-10Mo fuel foil and Zr interlayer during hot rolling: A microstructure-based finite element method analysis

Low-enriched uranium alloyed with 10 wt. % molybdenum (U-10Mo) has been identified as a promising alternative to highly enriched uranium fuel for the United States’ high performance research reactors. The monolithic U-10Mo fuel plate consists of a metallic U-10Mo fuel foil with a 25 µm Zr interlayer and a relatively thick cladding of aluminum alloy 6061. The Zr interlayer is typically applied during the hot co-rolling process, and this process dictates the uniformity of the Zr interlayer. Thickness variation observed in the U-10Mo and Zr interlayer has been attributed to several sources: the initial grain size of the U-10Mo castings, can materials, rolling temperature, inhomogeneous molybdenum content, and porosity in the cast U-10Mo. This thickness variation limits the ability to meet the dimensional specification; thus, a better understanding of the factors causing the nonuniform thickness is needed. In this work, we used a novel, microstructure-based finite element method to model the hot rolling process to address these concerns. Grain microstructures in U-10Mo were tessellated and explicitly considered in the finite element model. Each grain was assigned a random material property to mimic the grain strength variations induced by different grain orientations. Simulations were performed using six steel can thicknesses, four grain sizes, and with or without a Zr interlayer to investigate the influences of those variables on the thickness nonuniformity. The simulation results showed that a thinner steel can and finer U-10Mo grain size reduce thickness variations in both the U-10Mo fuel foil and Zr interlayer. The direct findings from the simulations and analysis can be used to optimize the hot rolling schedule, reduce fabrication defects, and meet the dimensional specifications. The proposed microstructure-based finite element model can be also coupled with experimental microstructure characterization data, images, and models to simulate multi-pass hot rolling.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Multi-Task Learning of Scanning Electron Microscopy and Synthetic Thermal Tomography Images for Detection of Defects in Additively Manufactured Metals

One of the key challenges in laser powder bed fusion (LPBF) additive manufacturing of metals is the appearance of microscopic pores in 3D-printed metallic structures. Quality control in LPBF can be accomplished with non-destructive imaging of the actual 3D-printed structures. Thermal tomography (TT) is a promising non-contact, non-destructive imaging method, which allows for the visualization of subsurface defects in arbitrary-sized metallic structures. However, because imaging is based on heat diffusion, TT images suffer from blurring, which increases with depth. We have been investigating the enhancement of TT imaging capability using machine learning. In this work, we introduce a novel multi-task learning (MTL) approach, which simultaneously performs the classification of synthetic TT images, and segmentation of experimental scanning electron microscopy (SEM) images. Synthetic TT images are obtained from computer simulations of metallic structures with subsurface elliptical-shaped defects, while experimental SEM images are obtained from imaging of LPBF-printed stainless-steel coupons. MTL network is implemented as a shared U-net encoder between the classification and the segmentation tasks. Results of this study show that the MTL network performs better in both the classification of synthetic TT images and the segmentation of SEM images tasks, as compared to the conventional approach when the individual tasks are performed independently of each other.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Strain-driven oxygen vacancy ordering in LaNiO 3 thin films revealed by integrated differential phase contrast imaging in scanning transmission electron microscopy

Rare-earth nickelates, such as LaNiO 3 (LNO), exhibit complex electronic properties, with ordered oxygen vacancies (OOV) influencing conductivity and magnetic behavior. We investigate the structural stability of strain-induced OOV phases in LNO thin films grown on SrTiO 3 substrates and the impact of Ruddlesden–Popper (RP) faults. Using high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) and integrated differential phase contrast (iDPC) STEM imaging, we conducted atomic-scale structural and compositional analyses of OOV. Geometric phase analysis (GPA) was employed to measure the strain in fault-free and RP fault regions, while density functional theory (DFT) calculations explored different OOV arrangements in the LNO phase. Simulated iDPC-STEM imaging of energy-stabilized structures was performed to correlate with experimental results. Here, our findings reveal superstructure modulation in the chemical composition and atomic-scale lattice structure in LNO, primarily due to the formation of the OOV in Ni–O layers of the LaNiO 2.5 phase. The out-of-plane compressive strain of about 2% stabilizes this phase, reducing the strain, diminishing OOV, and transforming them into LNO.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Three-dimensional phase evolution and stress-induced non-uniform Li intercalation behavior in lithium iron phosphate

A lithium iron phosphate (LiFePO 4 ) olivine cathode displays rich phase transition behavior during charging/discharging. Despite extensive studies, the evolution of the LiFePO 4 /FePO 4 two-phase coexistence structure and the underlying mechanism are still a point of debate due to the intricate and often disparate phase morphologies observed. Here we apply phase-field simulations to provide detailed insights into the three-dimensional phase evolution process in LiFePO 4 upon delithiation under a large driving force. The simulation reveals that the coherency stress arising from the LiFePO 4 /FePO 4 lattice mismatch destabilizes the initially flat delithiation front and induces filamentary growth of the FePO 4 phase along [010], which is in excellent agreement with a recent operando X-ray imaging study. The combined simulation and experimental results provide the first illustration of the phenomenon of stress-induced instability of the lithium (de)intercalation front in battery electrode compounds. We show that this phenomenon is facilitated by the surface mode of coherent spinodal decomposition in LiFePO 4 and influenced by the anisotropies of misfit strain, elasticity and lithium diffusion. It is detrimental to battery performance and life by causing stress concentration and reducing the lithium (de)intercalation kinetics and thus should be mitigated.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Using distributions to understand neutron and x-ray production in ICF ignition capsules and other high energy density plasmas

Here this paper describes how x-ray and neutron distribution functions can be useful tools to visualize the conditions measured in many types of plasma physics experiments. In particular, we model a standard inertial confinement fusion ignition capsule that consists of a Si doped plastic ablator surrounding a layer of deuterium–tritium (DT) ice as the yield varies from 18 kJ to 16.7 MJ and use the distribution functions to show that neutrons and high energy x rays (15 keV) are produced under similar conditions when the yield is low. However, as the capsule starts to support a propagating burn due to alpha heating, the x rays and neutrons are produced under somewhat different conditions in different parts of the plasma. In particular, the x-ray production takes place mainly in the hot plastic ablator for the full yield ignition capsule under quite different plasma conditions from the DT region producing the 14 MeV neutrons, which results in x-ray images with larger radii than the corresponding neutron images. These same distribution functions can be applied to many other plasma physics experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Super-Resolution Ptychography with Small Segmented Detectors

To overcome the spatial resolution limit set by aperture-limited diffraction in traditional scanning transmission electron microscopy, microscopists have developed ptychography enabled by iterative phase retrieval algorithms and high-dynamic-range pixel array detectors. Current detector designs are limited by the data rate off chip, so a high-pixel-count detector has a proportionally lower frame rate than the few-segment detectors used for differential phase contrast (DPC) imaging. This slower acquisition speed leads to heightened vulnerability to scan noise, drift, and potential sample damage. This creates opportunities for repurposing fast segmented detectors for ptychography by trading a reduction in reciprocal space pixels for an increase in real space pixels. Here, we explore a strategy of oversampling in real space and instead apply detector pixel upsampling during the reconstruction process. Further, we demonstrate the viability of achieving super-resolution ptychography on thin objects using only 2 × 2 detector pixels, surpassing the resolution of integrated DPC (iDPC) imaging. With optimization using simulated datasets and experiments on MoTe 2 /WSe 2 bilayer moiré superlattices, we achieved super-resolution ptychography reconstructions under rapid acquisition conditions (37.5 pA, 1 μs dwell time), yielding over 50% improvements in contrast and information limit compared to annular dark field and iDPC imaging on the same detectors.

2D materials↗
DOE OSTI2022

Validation of Calibrated k–ε Model Parameters for Jet-in-Crossflow

Previous efforts determined a set of calibrated, optimal model parameter values for Reynolds-averaged Navier–Stokes (RANS) simulations of a compressible jet in crossflow (JIC) using a $k–ε$ turbulence model. These parameters were derived by comparing simulation results to particle image velocimetry (PIV) data of a complementary JIC experiment under a limited set of flow conditions. Here, a $k–ε$ model using both nominal and calibrated parameters is validated against PIV data acquired from a much wider variety of JIC cases, including a realistic flight vehicle. The results from the simulations using the calibrated model parameters showed considerable improvements over those using the nominal values, even for cases that were not used in the calibration procedure that defined the optimal parameters. This improvement is demonstrated using a number of quality metrics that test the spatial alignment of the jet core, the magnitudes of multiple flow variables, and the location and strengths of vortices in the counter-rotating vortex cores on the PIV planes. These results suggest that the calibrated parameters have applicability well outside the specific flow case used in defining them and that with the right model parameters, RANS solutions for the JIC can be improved significantly over those obtained from the nominal model.

42 ENGINEERING↗
DOE OSTI2021

Comparing perceptions of a dimmable LED lighting system between a real space and a virtual reality display

Over the last several decades, designers have used digital screens to view images of real and simulated spaces and make critical design decisions. Screen technology has improved during this time, as technologies like OLED have replaced legacy displays (CRT, plasma, and LCD). These new screens provide a higher pixel resolution, luminous output and contrast ratio. Immersive head-mounted displays now allow designers to view immersive images, and recent developments in real-time rendering have encouraged the uptake of virtual reality (VR) head-mounted displays in mainstream practice and design education. This paper presents an experiment on lighting perception using a series of LED lighting conditions in a real space and a virtual representation of those conditions captured using a 360° high-dynamic-range camera and presented on an HTC Vive Pro HMD. Fifty-three participants were asked to rate each lighting condition by viewing it in a real space (n = 30) or via immersive HDR photographs displayed in a VR HMD (n = 23). The results show that ratings of visual comfort, pleasantness, evenness, contrast and glare are similar between the HTC Vive Pro HMD and our real space when evaluating well-lit scenes, but significant differences emerge in dim and highly contrasted scenes for a number of rating scales.

Rockcastle, S.↗
DOE OSTI2020

High-speed x-ray phase contrast imaging and digital image correlation analysis of microscale shock response of an additively manufactured energetic material simulant

The performance of energetic materials subjected to dynamic loading significantly depends on their micro- and meso-scale structural morphology. The geometric versatility offered by additive manufacturing opens new pathways to tailor the performance of these materials. Additively manufactured energetic materials (AMEMs) have a wide range of structural characteristics with a hierarchy of length scales and process-inherent heterogeneities, which are hitherto difficult to precisely control. It is important to understand how these features affect AMEMs’ response under dynamic/shock loading. Therefore, temporally and spatially resolved measurements of both macroscopic behavior and micro- and meso-level processes influencing macroscopic behavior are required. In this paper, we analyze the shock compression response of an AMEM simulant loaded under several impact conditions and orientations. Furthermore, x-ray phase contrast imaging (PCI) is used to track features across the observed shock front and determine the linear shock velocity vs particle velocity equation of state, as well as to quantify the interior deformation fields via digital image correlation (DIC) analyses. Photon Doppler velocimetry is simultaneously used to measure the particle velocities of the specimens, which are consistent with those obtained from x-ray PCI. The DIC analyses provide an assessment of the average strain fields inside the material, showing that the average axial strain depends on the loading intensity and reaches as high as 0.23 for impact velocities up to 1.5 km/s. The overall results demonstrate the utility of x-ray PCI for probing “in-material” equation of state and interior strains associated with dynamic shock compression behavior of the AMEM simulant.

3D printing↗
DOE OSTI2022

Measurement and Simulation of the Magnetic Fields from a 555 Timer Integrated Circuit Using a Quantum Diamond Microscope and Finite-Element Analysis

Quantum diamond microscope (QDM) magnetic field imaging is an emerging interrogation and diagnostic technique for integrated circuits (ICs). To date, the ICs measured with a QDM have been either too complex for us to predict the expected magnetic fields and benchmark the QDM performance or too simple to be relevant to the IC community. In this paper, we establish a 555 timer IC as a “model system” to optimize QDM measurement implementation, benchmark performance, and assess IC device functionality. To validate the magnetic field images taken with a QDM, we use a spice electronic circuit simulator and finite-element analysis (FEA) to model the magnetic fields from the 555 die for two functional states. Furthermore, we compare the advantages and the results of three IC-diamond measurement methods, confirm that the measured and simulated magnetic images are consistent, identify the magnetic signatures of current paths within the device, and discuss using this model system to advance QDM magnetic imaging as an IC diagnostic tool.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

Analysis of single-mode Richtmyer–Meshkov instability using high-order incompressible vorticity-streamfunction and shock-capturing simulations

In this study, two- and three-dimensional simulation results obtained using a new high-order incompressible, variable-density vorticity–streamfunction (VS) method and data from previous ninth-order weighted essentially nonoscillatory (WENO) shock-capturing simulations are used to investigate the nonlinear dynamics of single-mode Richtmyer–Meshkov instability using a model of a Mach 1.3 air(acetone)/SF6 shock tube experiment. A comparison of the density fields from both simulations with the experimental images demonstrates very good agreement in the large-scale structure with both methods but differences in the small-scale structure. The WENO method captures the small-scale disordered structure observed in the experiment, while the VS method partially captures such structure and yields a strong rotating core. The perturbation amplitude growth from the simulations generally agrees well with the experiment. The simulation bubble and spike amplitudes agree well at early times. At later times, the WENO bubble amplitude is smaller than the VS amplitude and vice versa for the spike amplitude. The predictions of nonlinear single-mode instability growth models are shown to agree with the simulation amplitudes at early-to-intermediate times but underpredict the amplitudes at later times in the nonlinear regime. Visualizations of the mass fraction and enstrophy isosurfaces, velocity and vorticity fields, and baroclinic vorticity production and vortex stretching terms from the three-dimensional simulations indicate that, with the exception of the small-scale structure within the rollups, the VS and WENO results are in good agreement.

42 ENGINEERING↗
DOE OSTI2022

Ferrimagnetic spin waves in honeycomb and triangular layers of Mn{sub 3}Si{sub 2}Te{sub 6}.

A detailed analysis of the ferrimagnetic ground state of Mn 3 Si 2 Te 6 has been performed using inelastic neutron scattering. Although the proposed valence of the nominal Mn 2+ ions would have quenched orbital angular momentum, a significant exchange anisotropy exists in Mn 3 Si 2 Te 6 . This apparent exchange anisotropy is a manifestation of a weak spin-orbit coupling in the layered material. We employ a detailed simulation of the spin-wave spectrum coupling traditional refinement of dispersion parameters to image analysis techniques, while including Monte Carlo simulations of the instrumental resolution to accurately identify the exchange couplings to the third nearest neighbor. An independent validation of our results is made by comparing our final Hamiltonian to heat capacity measurements.

Sala, G.↗
DOE OSTI2023

Machine learning–aided real-time detection of keyhole pore generation in laser powder bed fusion

Porosity defects are currently a major factor that hinders the widespread adoption of laser-based metal additive manufacturing technologies. One common porosity occurs when an unstable vapor depression zone (keyhole) forms because of excess laser energy input. With simultaneous high-speed synchrotron x-ray imaging and thermal imaging, coupled with multiphysics simulations, we discovered two types of keyhole oscillation in laser powder bed fusion of Ti-6Al-4V. Amplifying this understanding with machine learning, we developed an approach for detecting the stochastic keyhole porosity generation events with submillisecond temporal resolution and near-perfect prediction rate. Finally, the highly accurate data labeling enabled by operando x-ray imaging allowed us to demonstrate a facile and practical way to adopt our approach in commercial systems.

42 ENGINEERING↗
DOE OSTI2026

Practical Three-Dimensional Curvilinear Aperture Monopulse Synthetic Aperture Radar

When collected over a curved path, Synthetic Aperture Radar (SAR) contains information about the three-dimensional content of a scene that can aid interpretation of this difficult imaging modality. In a point scatterer simulation with amplitudes and heights derived from a real SAR image pair, we supplement confocal processing with a monopulse-based algorithm to compute heights of certain bright points, which we find automatically. In SAR, bright points often reflect man-made infrastructure central to scene interpretation.

Story, Mark [ORNL] (ORCID:0000000289148911)↗
DOE OSTI2021

Hybrid Large Eddy Simulation/Reynolds-Averaged Navier–Stokes Analysis of a Premixed Ethylene-Fueled Dual-Mode Scramjet Combustor

Hydrocarbon fuels offer optimal high energy per volume for scramjet applications for sustained hypersonic flight but require additional residence time due to slower ignition delays (compared with hydrogen fuel). The injection of ethylene at the start of the isolator of a dual-mode scramjet combustor, operating in ramjet mode, allows sufficient mixing to achieve efficient premixed turbulent combustion. A cavity flameholder anchors the flame, supplying sufficient radicals to sustain a stable flame in the high-speed environment. This work investigates flame structure and stabilization limits of a new configuration with a scaled-down cavity embedded in the flow path of the combustor with a strut and insert. The cavity is reduced in size by one-third to enable eventual direct numerical simulations of the flame stabilization process. This work, however, focuses on modeling the full isolator/combustor geometry using a hybrid large eddy simulation/Reynolds-averaged Navier–Stokes simulation strategy. Additionally, particle image velocimetry, planar laser-induced fluorescence, coherent anti-Stokes Raman spectroscopy, and pressure measurements are compared with numerical predictions to analyze and characterize the conditions within the combustor, including flame structure, flow velocities, species composition, and wall pressure. An adjustable air throttle in the extender is able to control the placement of the shock train in the isolator and maintain a stable flame at various equivalence ratios. The simulations show reasonably good agreement with the experimental scalar and velocity data and predict a flame angle consistent with premixed turbulent flame-speed correlations.

42 ENGINEERING↗
DOE OSTI2025

Advancing the Frontiers of Deep Learning for Low-Dose 3D Cone-Beam CT Reconstruction

X-ray computed tomography (CT) is an important noninvasive medical imaging modality for studying the structural details of internal organs. Image reconstruction in CT is an inverse problem of recovering an object's internal structure from the absorption profile of X-ray beams (sinogram) measured using a detector. The classical variational approach for CT reconstruction minimizes an energy functional using an appropriate iterative algorithm. Motivated by the success of deep learning (DL), researchers have begun to leverage training data and enhanced computing capabilities in recent years to produce high-fidelity reconstructed images. Nonetheless, much of the academic research in DL algorithms for CT has focused primarily on the two-dimensional setting (with simplified forward operators and noise model) for proofs-of-concept, and a comprehensive benchmarking of various classical and data-driven CT reconstruction approaches has not beenundertaken. The key objective of our CT reconstruction grand challenge was to promote methodological advancements for both classical and DL-based approaches for clinical CT with a reasonably accurately simulated 3D CT forward operator and noise model. We have utilized the publicly available LIDC-IDRI dataset and simulated sinograms and FDK images corresponding to two dose levels (clinical- and low-dose, constituting two tracks of the challenge) starting from the normal-dose images as the ground truth. In this paper, we summarize the motivation, context, and results of our challenge, and highlight the future research directions in DL for clinical CT.

X-ray tomography↗