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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Grain size effects on slip band development

Crystallographic slip localizations, known as slip bands, concentrate stress in polycrystals, often leading to the nucleation of damage. Slip band development has been experimentally shown to be sensitive to grain size, tending to develop more frequently and with a greater intensity in large grains. In this work, we investigate the influence of grain size on the propensity for crystallographic slip band development. To this end, we employ the slip band-fast Fourier transform method (SB-FFT). SB-FFT is a 3D, full-field crystal plasticity model that permits the incremental development of discrete crystallographic slip bands according to microstructure and material properties. We present a model Inconel 718 tricrystal to isolate the effect of grain size. Our findings show that slip bands in large grains develop at lower applied strain levels and at a faster rate than slip bands in small grains. The grain size effect is due to a backstress produced by the interaction of the slip band and its neighboring grain. The backstress is most intense at small grain sizes, impeding slip activity within a developing slip band and immediately surrounding the slip band.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Investigation of nonlinear mechanical behavior of two superfine-grained graphites with DIC assisted disc splitting test

Using standardized uniaxial tensile test specimens is not practical due to the limited volumes in irradiation capsules, molten salt degradation facilities, or oxidation apparatus. The ASTM International Standard Test Method for Tensile Strength Estimate by Disc Compression of Manufactured Graphite (ASTM D8289) was developed to provide a convenient way for estimating tensile strength. Unlike the traditional uniaxial tensile test in ASTM C749 (International Standard Test Method for Tensile Stress–Strain of Carbon and Graphite), which uses dog-bone shaped specimens larger than 12.95 mm × 120.65 mm, the ASTM D8289 standard uses smaller discs with diameters of 6–12.7 mm. A digital image correlation (DIC) system, which uses a full-field noncontact surface displacement measurement technique, was applied along with the ASTM D8289 disc splitting test on IG-110 samples and compared with previous measurements from Mersen 2114 samples. Results confirmed that the DIC technique can measure the surface displacement/strain on these small (Ø6 mm × 3 mm) graphite specimens with good repeatability. However, Mersen 2114 and IG-110 samples exhibited strain discrepancies when DIC measurements were compared with analytical and finite element simulation values. The loading history and strain results also indicated different mechanical behaviors between Mersen 2114 and IG-110, particularly the nonlinear behavior of the IG-110 samples. Good agreement was observed by comparing the splitting tensile strengths of two superfine-grained grades with results from other work. The specimen size effect is discussed when comparing the splitting tensile strength with corresponding uniaxial tensile strength of these two graphite grades.

Lin, Lianshan [ORNL] (ORCID:0000000203399219)↗
DOE OSTI2025

Modeling receiver flux of commercial power tower concentrating solar power plants using ray tracing: a round-robin comparison of SolTrace, Solstice, and TieSOL

This study presents a multi-stage, cross-validation comparison of three software packages for Monte Carlo ray tracing (MCRT) applied to central tower concentrating solar power (CSP) systems. The three packages evaluated are: (1) SolTrace, an open-source tool developed by the National Renewable Energy Laboratory (NREL); (2) Solstice, an open-source program created by CNRS-PROMES and Meso-Star, with enhancements for CSP applications (called solsticepy) from the Australian National University; and (3) TieSOL, a commercial software developed by Tietronix. This investigation extends previous ray tracing comparisons by incorporating models of multi-facet heliostats within a commercial-scale solar field, taking into account zoned focal lengths and canting configurations. Receiver flux distributions were compared across the tools using a series of case studies, including single-heliostat scenarios, isolated blocking situations, and comprehensive full-field simulations. The case studies were designed to diagnose differences across the models at varying levels of complexity, and to identify and resolve discrepancies as additional parameters were introduced. Key factors examined in the analysis include sun positions, heliostat location, facet and canting focus, and aimpoint strategies. The comparison aims to improve the accuracy and reliability of these tools while providing benchmark cases for validating future optical modeling tools.

14 SOLAR ENERGY↗
DOE OSTI2024

Stress localization investigation of additively manufactured GRCop-42 thin-wall structure

A full-field crystal plasticity (CP) framework is presented for the GRCop-42 alloy to study microscopic mechanical behavior and local stress heterogeneities. The microstructures of additively manufactured (AM) materials are often unique relative to conventionally processed materials, and the local thermal histories drive these differences during the build process. These thermal histories depend on the process parameters (laser power, scan speed, and scan strategy) and the part geometry. Prior research has shown that the mechanical properties of thin-walled structures can vary significantly with wall thickness due to changes in the thermal boundary conditions during manufacturing. It is, therefore, desirable to perform CP simulations based on the phenomenological constitutive model to predict the local mechanical responses induced by microstructural heterogeneities. This work generates representative microstructures based on experimentally collected grain information (i.e., texture) for grain scale stress analysis, and the material constitutive parameters are calibrated using the experimental mechanical testing data. Here, we specifically investigated the effect of crystallographic texture and grain morphologies on the size-dependent mechanical properties of AM GRCop-42. The selection of appropriate material properties for implementing an effective free surface boundary condition and the influence of adjacent buffer layers are also discussed. Analysis of local field results reveals a strong correlation between stress localization and the initial grain orientation. However, no significant relationship between the misorientation of the individual adjacent grains and the average misorientation is observed.

36 MATERIALS SCIENCE↗
DOE OSTI2025

The Imprint of Southern Ocean Storms on Modeled Surface Chlorophyll, Their Drivers and Satellite Biases

Southern Ocean (SO) phytoplankton chlorophyll is highly variable on sub-seasonal time scales. Although the SO is the windiest ocean basin globally, it is not conclusively understood how storms impact SO phytoplankton dynamics. Much of our existing knowledge stems from satellites, but biases due to data gaps from cloud cover and low solar angles remain unquantified. Here, we use ocean–sea-ice simulations with the Community Earth System Model to quantify the climatological 1997–2018 imprint of storms on chlorophyll and phytoplankton dynamics in the ice-free SO. Additionally, by comparing the full-field model output to synthetic satellite observations, we quantify sampling biases in satellite-derived estimates. We find that both the sign and the magnitude of the average surface chlorophyll imprint vary substantially across storms but last for at least 4 days after the storm passing. Based on our analysis, more than one third of the storms explain the majority of local non-seasonal chlorophyll variability, but satellite-derived storm imprints are often too large in magnitude. On the day of the storm passing, changes in vertical mixing predominantly cause surface chlorophyll anomalies, and reduced light availability due to enhanced cloud cover outweighs the enhanced nutrient availability due to entrainment. Interestingly, storms imprint differently on total net primary production than on surface chlorophyll, demonstrating the difficulty to derive carbon-cycle impacts from a surface-chlorophyll assessment. With SO future storm activity projected to increase, complementing satellite observations with other observing technologies, for example, profiling floats, is necessary to better constrain how storms impact biological carbon cycling in the SO.

Nissen, Cara [University of Colorado, Boulder, CO ↗
DOE OSTI2025

High-resolution high-throughput spatiotemporal strain imaging reveals loss mechanisms in a surface acoustic wave device

Surface acoustic wave devices are key components for processing radio frequency signals in wireless communication because these devices offer simultaneously high performance, compact size and low cost. The optimization of the device structure requires a quantitative understanding of energy conversion and loss mechanisms. Here we use stroboscopic full-field diffraction x-ray microscopy to reveal an unanticipated acoustic loss in a prototypical one-port resonator device. A non-uniform acoustic excitation in the active area was responsible for the substantial end and side leakages observed at the design frequency. Quantitative analysis of the strain amplitude using a wave decomposition method allowed the determination of several key device parameters. This high-resolution high-throughput spatiotemporal strain imaging technique is more generally applicable to the study of dynamic strain modulation in nanoscale acoustic, electronic, optical and quantum devices. The high sensitivity allows precise measurement of the strain modulation with picometer-scale amplitude.

Zhou, Tao [ESRF - The European Synchrotron, Grenob↗
DOE OSTI2025

Incorporating long-range dependence and fractal features in turbulence spectra

We introduce an advanced turbulence spectrum model developed from mathematical foundations from a covariance function class and empirically validated using extensive field data. This model captures the complex dynamics of long-range dependence, and fractal characteristics prevalent in riverine and atmospheric boundary layer (ABL) flows that are ignored by classical spectrum models, such as IEC (International Electrotechnical Commission) von Kármán and Kaimal model. The model delineates scaling behaviors across distinct frequency bands and offers substantial flexibility through five well-defined parameters each characterizing a distinct physical aspect of the velocity time series. A detailed procedure for obtaining each parameter from time series data is outlined. The comprehensive validations with field data from tidal currents and ABL flows substantiate the model’s fidelity in accurately replicating observed phenomena. This validation establishes the reliability of the proposed model and, when incorporated into stochastic full-field simulators such as TurbSim, demonstrates its potential to advance the predictive modeling and analysis of turbulent flows in environmental science and engineering contexts.

Cheng, Shyuan [Univ. of Illinois at Urbana-Champai↗
DOE OSTI2024

Near-field imaging of optical resonances in silicon metasurfaces using photoelectron microscopy

Precise control of light–matter interactions at the nanoscale lies at the heart of nanophotonics. However, experimental examination at this length scale is challenging since the corresponding electromagnetic near-field is often confined within volumes below the resolution of conventional optical microscopy. In semiconductor nanophotonics, electromagnetic fields are further restricted within the confines of individual subwavelength resonators, limiting access to critical light–matter interactions in these structures. In this work, we demonstrate that photoelectron emission microscopy (PEEM) can be used for polarization-resolved near-field spectroscopy and imaging of electromagnetic resonances supported by broken-symmetry silicon metasurfaces. We find that the photoemission results, enabled through an in situ potassium surface layer, are consistent with full-wave simulations and far-field reflectance measurements across visible and near-infrared wavelengths. In addition, we uncover a polarization-dependent evolution of collective resonances near the metasurface array edge taking advantage of the far-field excitation and full-field imaging of PEEM. Here, we deduce that coupling between eight resonators or more establishes the collective excitations of this metasurface. All told, we demonstrate that the high-spatial resolution hyperspectral imaging and far-field illumination of PEEM can be leveraged for the metrology of collective, non-local, optical resonances in semiconductor nanophotonic structures.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

The Electron Spectro-Microscopy (ESM) Beamline at NSLS-II

Photoelectron spectroscopy is a primary tool for the study of the electronic structure of materials and the chemical composition of surfaces. High-resolution angle-resolved photoemission spectroscopy (ARPES) has the unique ability to map the energy bands in momentum space. Furthermore, going beyond the single particle picture, the self-energy corrections caused by correlations in solids can be extracted from the analysis of the emission line shape. The current level of refinement, in terms of energy and angular resolution (ΔE < 1 meV, Δθ < 0.1°), makes the technique sensitive to the lowest energy excitations and the dynamics of electrons, which in turn virtually determine all the macroscopic properties of any system and govern the chemical, electrical, magnetic, and physical processes. Similarly important, X-ray photoelectron microscopy (XPEEM), combined with the low-energy electron microscopy (LEEM), is indispensable in probing the complexity of chemical, structural, electronic and magnetic properties of surfaces and shallow interfaces, with the spatial resolution of few tens of nanometer (nm). The Electron-Spectro-Microscopy beamline (ESM) has been recently commissioned at NSLS-II and is now in operation. The primary spectroscopic technique is photoemission, performed over a wide energy range with control of light polarization and in a variety of flux/resolution conditions. The beamline has two experimental end stations that allow to perform ARPES and XPEEM/LEEM, separately. The ARPES end station focuses on high energy-resolution work, with spot-size of a few microns. The XPEEM/LEEM end station is a full-field microscope (XPEEM) operating either with the synchrotron generated X-rays (XPEEM), or with an internal electron gun (LEEM). Spatial resolution is crucial in studies of newly synthesized complex materials since they are often initially available only as small specimens (typically micron size). Furthermore, chemical inhomogeneities on surfaces are often an integral part of surface chemical processes. Finally, the ESM beamline with X-ray spots of few microns is optimized to study the electronic structure of novel materials with microscopy capabilities.

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

Reduced-action-integral approach for photon-photon interactions in vacuum

Electromagnetic waves propagating through vacuum can polarize virtual electron–positron pairs; this polarization, in turn, nonlinearly modifies their propagation. A semi-classical nonlinear wave equation describing the propagation is derived from the Euler–Heisenberg Lagrangian density, which captures vacuum polarization effects up to the one-loop level. In this article, we present a reduced-actionintegral approach that enables rapid modeling of nonlinear phenomena arising from the Euler– Heisenberg Lagrangian. Application of the variational principle to the reduced action provides equations of motion for familiar light-pulse parameters, such as spot size, phase, polarization, and phase-front curvature, without requiring full-field simulations. Three examples demonstrate the utility of the approach: phase modulation, birefringence, and frequency mixing.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Nano-laminography with a transmission X-ray microscope

Nano-laminography combines the penetrating power of hard X-rays with a tilted rotational geometry to deliver high-resolution, three-dimensional images of laterally extended, flat specimens that are otherwise incompatible with, or difficult to image using, conventional nano-tomography. In this work, we demonstrate a full-field, X-ray nano-laminography system implemented with the transmission X-ray microscope at beamline 32-ID of the upgraded Advanced Photon Source at Argonne National Laboratory, USA. By rotating the sample around an axis inclined by 20° to the incident beam, the technique minimizes the long optical path lengths that would otherwise generate excessive artifacts when planar samples are imaged edge-on. The efficiency of the technique is demonstrated with 50 nm spatial resolution and minute-scale temporal resolution 3D imaging of a planar integrated circuit sample and targeted imaging of an individual particle within a powder sample, where mounting procedures are typically challenging in regular nano-tomography. The sample mounting strategy, data acquisition, and reconstruction method will also be discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Discovery of spontaneous mesoscopic strain waves in nematic domains using dark-field x-ray microscopy

Electronic nematic order arises when correlated electrons spontaneously break the rotational symmetry of a crystal lattice. When electronic nematic order couples bilinearly to symmetry-breaking lattice strain, both appear together at a single ferroelastic phase transition, producing structural twin domains with distinct orientations of the nematic director. While the effects of applied strain on these domains are well established, the intrinsic behavior of spontaneous subdomain strain fields has remained unexplored. Here, we report the discovery of spontaneous mesoscopic strain waves within individual nematic domains of an iron-based superconductor, observed using dark-field x-ray microscopy (DFXM). Using this advanced full-field imaging technique, we visualize subdomain strain modulations emerging concurrently with nematic order. Elastic compatibility relations governing inhomogeneous strains provide a natural mechanism for the strain waves. Our findings reveal a broadly relevant form of strain self-organization and position DFXM as a powerful probe of the local interplay between lattice strain and electronic order.

36 MATERIALS SCIENCE↗
DOE OSTI2024

DiscoFluxM version 1.x

DiscoFluxM is software for modeling the deformation behavior of crystalline materials within the third-party finite-element based software, MOOSE. The software enables full-field crystal plasticity finite element simulations of deformation processes of metals and other crystalline materials. DiscoFluxM is an implementation of the DiscoFlux theoretical and algorithmic framework for coupling single-crystal plasticity with dislocation transport. The continuum mesoscale modeling framework is founded upon a nonlocal dislocation-density based crystal plasticity theory. The nonlocal theory couples continuum dislocation transport with an otherwise spatially-local single-crystal model employing nonlinear thermoelasticity and crystallographic plasticity. Dislocation transport is modeled by enforcing dislocation conservation at a slip-system level through the solution of advection-diffusion equations. The configuration of geometrically necessary dislocation density gives rise to a back-stress that inhibits or accentuates the flow of dislocations.

Luscher, Darby↗
DOE OSTI2025

High fidelity blade-resolved and actuator line data from a 16 turbine wind farm simulation using ExaWind

This data was generated with the ExaWind code suite (https://github.com/Exawind) as a demonstration of a large, 16 turbine wind farm simulation, calculated using two different levels of fidelity. The lower level of fidelity approach uses an actuator line approach to represent the turbines, and was simulated with AMR-Wind (https://github.com/Exawind/amr-wind/) as the background flow solver, coupled to OpenFAST (https://github.com/OpenFAST/openfast). The higher level of fidelity simulation uses a blade-resolved approach, and is done using AMR-Wind, Nalu-Wind (https://github.com/Exawind/nalu-wind), OpenFAST, and TIOGA (https://github.com/Exawind/tioga). In the blade-resolved simulation, ExaWind couples together a background flow solver, AMR-Wind, and a near-body solver, Nalu-Wind, through an overset technique from the TIOGA application. OpenFAST handles the structural dynamics of the turbine blades and towers, which informs the fluid-structure interaction of the wind turbines with the flow solvers. In the actuator line simulation, a mesh of 295M elements was used for a 5km x 5km domain, and it was simulated using 256 nodes (2048 GPU's) on the Oak Ridge Leadership Computing Facility Frontier supercomputer. For the blade-resolved simulation, 1.5B element mesh was used in the AMR-Wind background 5km x 5km domain, and 16M elements were used for each turbine in the Nalu-Wind domains, for a total of 1.7B elements. This was simulated using 384 nodes on Frontier, with each node using 56 cores for Nalu-Wind and 8 GPU cores. The data in this archive includes the turbine outputs from OpenFAST, 2D sampling planes from AMR-Wind, and full-field solution files from AMR-Wind and Nalu-Wind.

17 WIND ENERGY↗
DOE OSTI2024

Chapter 4: Physically informed deep learning networks for simulating microstructure evolution of 3D polycrystals

As discussed in the previous chapter, high energy diffraction microscopy (HEDM) is used to study the micromechanical evolution of a material during in situ loading. HEDM experiments have been used to verify crystal plasticity (CP) simulations [119, 91, 90, 120], for experimental planning, material design, and to further analyze experimental results. However, Fast Fourier transform-based CP (CP-FFT) or finite element-based CP (CP-FE) methods are often too slow to be used in real-time during an experiment. CP-FFT is faster than CP-FE simulations due to the absence of meshing, but can still take hours to simulate the response of a single volume depending on the size and number of strain steps [127]. Reducing computation time would create a larger exploration space in planning and design, and enable faster analysis of experimental results and real-time feedback during an experiment. This research expands upon previous works to develop a workflow for predicting the full-field evolution of a 3D polycrystal. The workflow is simplified from previous works to predict only orientation and elastic strain tensors (from which stress tensors are calculated). The network is physically informed through loss functions and network architecture for a more robust model. The orientation predictions are informed about the cubic crystal symmetry of the material by incorporating disorientation and misorientation information into the network architecture and loss. The Von Mises stress is used to enforce the correct stress-strain trends in the strain tensor predictions. Additional total strain steps from the elastic and elastoplastic region are included to better capture the stress-strain evolution at smaller total strain steps. Material and hardening parameters are additional inputs into the networks to further inform the network and to study the network’s ability to predict different materials other than those used for training.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Enabling Digital Image Correlation for Deployment in the Hot Fuels Examination Facility

Digital image correlation (DIC) is a non-contact image-based technique for displacement and strain measurement. It is also a full-field method that can provide excellent spatial resolution. DIC has been widely used for measurements in many styles of mechanical tests and is desirable in part because of this flexibility to measure nearly any material across a range of time and length scales. Its ability to measure localized strain for tests and in environments not accessible to other strain measurement techniques makes it an ideal option for several mechanical test cases that exist in hot cell facilities such as the Hot Fuel Examination Facility (HFEF) at the Idaho National Laboratory (INL). However, DIC has not been demonstrated at HFEF, and several barriers to implementation in the hot cell environment exist. This report outlines the possible paths for deploying DIC at HFEF, weighing the technical advantages and risks with each path. It also discusses the steps which must be taken to add this capability to the suite of post-irradiation examination (PIE) techniques available at HFEF. Finally, it concludes with recommendations for the best method to perform DIC at the facility.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Interlaced Characterization and Calibration (ICC) for Improved Computational Simulation Credibility

Accurate material characterization and model calibration are pivotal for simulations used for high-consequence engineering decisions. Current characterization and calibration methods (1) use simplified test specimen geometries and global data, (2) cannot guarantee that sufficient characterization data is collected for a specific model of interest, (3) provide only mean parameter values with no uncertainty quantification, and (4) are sequential, inflexible, and time-consuming. This work developed a new paradigm—coined Interlaced Characterization and Calibration (ICC)—which drives forward the state-of-the-art in model calibration by bringing together recent advancements into one improved workflow. The ICC paradigm (1) employs tools to efficiently use full-field data to calibrate high-fidelity material models, (2) aligns the data needed with the data collected by adopting an optimal experimental design protocol, (3) provides uncertainty metrics on the calibrated model parameters, and (4) incorporates these advances into a quasi real-time feedback loop. The ICC framework was validated synthetically with both low-fidelity and high-fidelity simulations paired with several different elastoplastic material models, and was also demonstrated experimentally with an aluminum 6061 cruciform exemplar specimen. Results showed that the ICC framework—in which Bayesian optimal experimental design actively guided the experiment— resulted in calibrations with similar or better accuracy than predetermined experiments based on subject matter expertise. Moreover, the ICC framework produced a complete model calibration— with quantified uncertainties on model parameters—in 1 week, a 5 - 10× increase in efficiency over traditional approaches. Thus, the ICC paradigm improves both the calibration process and quality, by (1) improving efficiency, which increases agility of solid mechanics modeling and enables utilization of computational simulation (CompSim) at earlier stages of the design cycle and (2) providing quantified, and in some cases reduced, parameter uncertainties, which increases confidence in model predictions and supports credible decision making.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Introduction to Digital Image Correlation (DIC) with annotated bibliography

Digital Image Correlation (DIC) is “a non-contact means of measuring motion and deformation using digital images of the object of interest”, capable of full-field measurements over large areas. Getting started in DIC can be difficult, since there are many different techniques, and the body of literature on DIC is extensive. IEEE Xplore alone lists nearly 11,000 references, including magazines, conference proceedings, journal articles, books, etc. A Google search returns around 145 million results. The intent of this annotated bibliography is to provide an entry point for beginners and to collect references that may be useful to more advanced practitioners.

42 ENGINEERING↗