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At least 19 records

Three-dimensional grain mapping of open-cell metallic foam by integrating synthetic data with experimental data from high-energy X-ray diffraction microscopy

Highlights: • High-energy X-ray measurements are made for ligaments of an open-cell aluminum foam. • Grain centroids and orientations are measured using high-energy X-ray diffraction. • 3D grain map is virtually reconstructed by integrating measured and synthetic data. - Abstract: The complex mechanical response of open-cell foams depends strongly on the hierarchy of length scales inherent in them, from engineering-part scale to the ligament scale through the grain scale down to the crystal-lattice scale. A first step toward understanding and predicting the coordinated mechanical response across length scales requires characterizing the open-cell foam structure in three dimensions at relevant scales. Here, we present an initial attempt to digitally represent a physically-realized aluminum alloy foam in terms of both its geometry/topology as well as its underlying crystallographic orientations by integrating several advanced techniques. Specifically, we use a combination of X-ray computed tomography and X-ray diffraction microscopy in conjunction with synthetic grain mapping. Experimental investigation of the foam shows relatively large grain sizes with respect to the ligament length scale, implying that competing mechanics at different length scales (i.e. grain scale vs. ligament scale) will need to be fully incorporated to understand the mechanical behavior of the foam. The integration of non-destructive measurement techniques with synthetic-data generation provides a path toward realistic modeling of bulk samples of open-cell metal foam resolved at the scale of individual grains.

36 MATERIALS SCIENCE↗

Fast Grain Mapping with Sub-Nanometer Resolution Using 4D-STEM with Grain Classification by Principal Component Analysis and Non-Negative Matrix Factorization

High-throughput grain mapping with sub-nanometer spatial resolution is demonstrated using scanning nanobeam electron diffraction (also known as 4D scanning transmission electron microscopy, or 4D-STEM) combined with high-speed direct-electron detection. An electron probe size down to 0.5 nm in diameter is used and the sample investigated is a gold–palladium nanoparticle catalyst. Computational analysis of the 4D-STEM data sets is performed using a disk registration algorithm to identify the diffraction peaks followed by feature learning to map the individual grains. Two unsupervised feature learning techniques are compared: principal component analysis (PCA) and non-negative matrix factorization (NNMF). The characteristics of the PCA versus NNMF output are compared and the potential of the 4D-STEM approach for statistical analysis of grain orientations at high spatial resolution is discussed.

47 OTHER INSTRUMENTATION↗

Physics-informed machine learning analysis for nanoscale grain mapping by synchrotron Laue microdiffraction

Understanding the grain morphology, orientation distribution and crystal structure of nanocrystals is essential for optimizing the mechanical and physical properties of functional materials. Synchrotron X-ray Laue microdiffraction is a powerful technique for characterizing crystal structures and orientation mapping using focused X-rays. However, when the grain sizes are smaller than the beam size, mixed peaks in the Laue pattern from neighboring grains limit the resolution of grain morphology mapping. We propose a physics-informed machine learning (PIML) approach that combines a convolutional neural network feature extractor with a physics-informed filtering algorithm to overcome the spatial resolution limits of X-rays, achieving nanoscale resolution for grain mapping. Our PIML method successfully resolves the grain size, orientation distribution and morphology of Au nanocrystals through synchrotron microdiffraction scans, showing good agreement with electron backscatter diffraction results. This PIML-assisted synchrotron microdiffraction analysis can be generalized to other diffraction-based probes, enabling the characterization of nanosized structures with micrometre-sized probes.

X-ray crystallography↗

Ion-damage-free planarization or shallow angle sectioning of solar cells for mapping grain orientation and nanoscale photovoltaic properties

Ion beam milling is the most common modern method for preparing specific features for microscopic analysis, even though concomitant ion implantation and amorphization remain persistent challenges, particularly as they often modify materials properties of interest. Atomic force microscopy (AFM), on the other hand, can mechanically mill specific nanoscale regions in plan-view without chemical or high energy ion damage, due to its resolution, directionality, and fine load control. As an example, AFM-nanomilling (AFM-NM) is implemented for top-down planarization of polycrystalline CdTe thin film solar cells, with a resulting decrease in the root mean square (RMS) roughness by an order of magnitude, even better than for a low incidence FIB polished surface. Subsequently AFM-based property maps reveal a substantially stronger contrast, in this case of the short-circuit current or open circuit voltage during light exposure. Furthermore, electron back scattering diffraction (EBSD) imaging also becomes possible upon AFM-NM, enabling direct correlations between the local materials properties and the polycrystalline microstructure. Smooth shallow-angle cross-sections are demonstrated as well, based on targeted oblique milling. As expected, this reveals a gradual decrease in the average short-circuit current and maximum power as the underlying CdS and electrode layers are approached, but a relatively consistent open-circuit voltage through the diminishing thickness of the CdTe absorber. AFM-based nanomilling is therefore a powerful tool for material characterization, uniquely providing ion-damage free, selective area, planar smoothing or low-angle sectioning of specimens while preserving their functionality. This then enables novel, co-located advanced AFM measurements, EBSD analysis, and investigations by related techniques that are otherwise hindered by surface morphology or surface damage.

33 ADVANCED PROPULSION SYSTEMS↗

Energy-resolved neutron imaging and diffraction including grain orientation mapping using event camera technology

Time-of-flight neutron diffraction and energy-resolved imaging each provide unique perspectives into material properties. Neutron diffraction is useful for assessing microstructural parameters such as phase composition, texture, and dislocation densities, though it typically provides averaged data over the sampled volume. Energy-resolved imaging, on the other hand, offers both spatial and spectral information by detecting Bragg edges and neutron absorption resonances, which enables detailed mapping of microstructure and isotopic composition. When combined, these techniques have the potential to enrich our understanding of material behavior across different scales, enhancing our understanding of complex materials. Traditionally, these modalities are conducted on separate instruments, which is time-consuming and poses challenges for data integration. Here, we report the integration of the LumaCam, an event-mode energy-resolved neutron imaging camera with the HIPPO time-of-flight diffractometer at LANSCE. This integration enables simultaneous diffraction and imaging across the full spectrum, with analysis optimized for diffraction and Bragg-edge imaging in the thermal range (0.45–10 Å) and resonance imaging in the epithermal range (0.5–3000 eV), facilitating comprehensive multi-modal analysis. We demonstrate its capabilities through case studies, including spatial mapping of grain orientations in a steel sample and accurate thickness estimations for irregular samples including a depleted uranium cylinder and a natural silver-containing mineral specimen. The combined setup enhances real-time sample alignment and provides comprehensive data for crystal structure, texture, and isotopic composition analysis. This approach opens new possibilities for advanced applications in nuclear engineering, archaeology, and materials science.

36 MATERIALS SCIENCE↗

Microstructure and texture evolution of friction stir lap welded dissimilar multi-aluminum stack

Here this work investigates the microstructural evolution of a dissimilar multiple-aluminum alloy stack (AA7055, AA7055, AA6022) produced by friction stir lap welding (FSLW). A through-thickness analyses of grain orientation map, grain size and distribution, strain distribution, and texture evolution by electron backscattered diffraction-based characterization technique were performed. Two different welding parameters (combination of tool rotation and traverse speed) were used to study the effects of the welding parameters on these microstructural characteristics. The study shows that higher welding speed and higher rotation speed of the FSLW tool yield finer grains. FSLW resulted in shear texture formation in the weld regions due to high welding speeds. This texture development in the nugget zone is consistent with shear deformation, and (111) pole figures show ideal shear texture components. The Stir Zone (SZ) exhibits shear texture (A/A ̅ and B/B ̅ components), consistent with other shear-assisted processes. Recrystallization mechanisms observed are CDRX in SZ and DDRX in TMAZ (Thermo-Mechanically Affected Zone). Interface analysis reveals the presence of oxide layers between different aluminum sheets, affecting joint mechanical performance. The mechanical property of the lap welded joints was presented in terms of microhardness distribution across the weld cross section. Slightly higher hardness in higher speed welding setup was observed throughout the SZ and AA6022 layer, indicating greater grain refinement and uniform grain structure distribution.

36 MATERIALS SCIENCE↗

Mapping 3D grain and precipitate structure during in situ mechanical testing of open-cell metal foam using micro-computed tomography and high-energy X-ray diffraction microscopy

Open-cell metal foams are ultra-low-density cellular metals with complex hierarchical structures that span bulk, cell, ligament, and sub-ligament scales and give rise to desirable properties such as high strength-to-weight ratio and excellent energy absorption. Although literature suggests that intrinsic material structures at sub-ligament length scales (e.g., grains and precipitates) play an important role in mechanical behavior of open-cell metal foams, there are very few experimental measurements of such structures in three dimensions and for meaningful volumes of foam. This study seeks to map and track the three-dimensional (3D) grain and precipitate structures of an intact volume of open-cell aluminum foam by advancing microstructural characterization techniques that leverage X-ray micro-computed tomography (μCT) and far-field high-energy X-ray diffraction microscopy (FF-HEDM). A 6%-relative-density aluminum foam sample was mechanically tested in compression while μCT and FF-HEDM measurements were collected at interrupted loading states at beamline 1-ID of the Advanced Photon Source. Further, a new scanning strategy and reconstruction algorithm were established to enable characterization of a foam volume with diameter approximately four times wider than the nominal width of the X-ray beam. The result is a set of maps that detail both the 3D grain and precipitate structures throughout the foam volume at successive strain steps. A novel grain tracking procedure was developed to track individual grains within the foam volume by accounting for the large rigid-body motions that individual ligaments can undergo during mechanical loading. The ability to track grains and precipitate structures in three dimensions throughout large bulk deformation of ultra-low-density polycrystalline materials enables new possibilities for validating numerical models and investigating local failure mechanisms. Furthermore, the methods and procedures developed in this study could be applied to other ultra-low-density structures, such as additively manufactured lattices.

36 MATERIALS SCIENCE↗

The geometry of generalized force matching and related information metrics in coarse-graining of molecular systems

Using the probabilistic language of conditional expectations, we reformulate the force matching method for coarse-graining of molecular systems as a projection onto spaces of coarse observables. A practical outcome of this probabilistic description is the link of the force matching method with thermodynamic integration. This connection provides a way to systematically construct a local mean force and to optimally approximate the potential of mean force through force matching. We introduce a generalized force matching condition for the local mean force in the sense that allows the approximation of the potential of mean force under both linear and non-linear coarse graining mappings (e.g., reaction coordinates, end-to-end length of chains). Furthermore, we study the equivalence of force matching with relative entropy minimization which we derive for general non-linear coarse graining maps. We present in detail the generalized force matching condition through applications to specific examples in molecular systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

BERT Non-Destructively Probes the Microstructure of Dissimilar Welds [Poster]

Energy-resolved neutron imaging (ERNI) utilizes contrast provided by diffraction. Microstructure with >100µm grains as in cast, annealed or welded materials is difficult to characterize by X-ray or electron-based methods $\Rightarrow$ Well-suited for neutron Bragg-edge radiography. BERT was applied to dissimilar welds of Inconel on steel produced by additive manufacturing. Viewing the sample at time-of-flight/energy/wavelength where a single grain orientation dominates the attenuation allows to map grain orientations. Similarly to electron-backscatter diffraction (EBSD) but on cm length scales and through-thickness. Combined with texture measurements on the HIPPO instrument, identifying major grain orientations, 2D and 3D grain orientation maps are feasible. Results can guide development of thermo-mechanical treatment avoiding or introducing such microstructures, characterize dissimilar welds, interpretation of acoustic signals for quality control, guide destructive examination with X-rays/electrons, or provide data for codes predicting such microstructures.

36 MATERIALS SCIENCE↗

Build Orientation Effects on Texture and Mechanical Properties of Selective Laser Melting Inconel 718

The production of components via selective laser melting (SLM) metal additive manufacturing results in microstructures unique to the process that are highly dependent on laser processing parameters and orientation of part geometry relative to the build direction. This study investigates the variation in tensile properties of SLM Inconel 718 at varying angles with respect to build direction. ASTM E8 tensile specimens were built in XY, Z, and B+45 from Z orientations to near-net shape, HIP and heat treated, and tensile tested at room temperature. Orientation dependence of mechanical properties was observed; Z samples had the lowest strength and highest elongation, while XY samples had the highest strength and lowest elongation. Optical, SEM, and EBSD analysis were conducted to probe for microstructure variation that could be the cause of the difference in mechanical properties. Analysis of pole figures and grain maps suggests a preferred grain texture and twinning orientation that aligns with the build direction, which may contribute to the anisotropic enhancement in ductility.

36 MATERIALS SCIENCE↗

Rapid, all-optical crystal orientation imaging of two-dimensional transition metal dichalcogenide monolayers

Two-dimensional (2D) atomic materials such as graphene and transition metal dichalcogenides (TMDCs) have attracted significant research and industrial interest for their electronic, optical, mechanical, and thermal properties. While large-area crystal growth techniques such as chemical vapor deposition have been demonstrated, the presence of grain boundaries and orientation of grains arising in such growths substantially affect the physical properties of the materials. There is currently no scalable characterization method for determining these boundaries and orientations over a large sample area. We here present a second-harmonic generation based microscopy technique for rapidly mapping grain orientations and boundaries of 2D TMDCs. We experimentally demonstrate the capability to map large samples to an angular resolution of ±1° with minimal sample preparation and without involved analysis. A direct comparison of the all-optical grain orientation maps against results obtained by diffraction-filtered dark-field transmission electron microscopy plus selected-area electron diffraction on identical TMDC samples is provided. This rapid and accurate tool should enable large-area characterization of TMDC samples for expedited studies of grain boundary effects and the efficient characterization of industrial-scale production techniques.

36 MATERIALS SCIENCE↗

Liquid Interfacial Electron Microscopy Identifies Nanogalvanic Corrosion in Pearlitic Steel

The nanoscale mechanisms of localized corrosion in low carbon steels have remained elusive due to the complexity of studying the degradative material behavior at nanoscale solid-liquid interfaces. We identified various steps in the nanogalvanic corrosion processes using in-situ liquid-cell scanning transmission electron microscopy (STEM) using a microfluidic holder by Hummingbird Scientific. Initial work, performed at low magnification, identified the initiation point on a 1018 low-carbon steel surface. This initiation point was determined to be a triple junction of two ferrite grains bridging a cementite grain in contact with a baseline electrolyte of 6 uM CO2 dissolved in a buffered (2.78 uM Na2SO4) aqueous solution, pH 6.1. The pre-etched low-carbon steel surface was prepared using focused ion beam lift-out procedures to extract a cross-section of the low-carbon steel surface, which then was thinned to about 150 nm and transferred to a SiN membrane microfluidic window. The transfer was made using a lift-out needle to attach the low-carbon steel lamella to the corner of the SiN window, and then Pt/C deposition held the lamella in contact with the window while it was released from the lift out needle. To identify the triple point on the low carbon steel lamella, prior to attachment on the SiN window, the sample was characterized for compositional variations with energy dispersive x-ray spectroscopy mapping, grain orientation and phase mapping with precession electron diffraction, and thickness mapping with energy filtered transmission electron microscopy. This pre-characterization prior to the in-situ experiment provided a map of the multiphase and multigrain structure, where the in-situ liquid cell imaging provided a clear understanding of the initiation point on the sample. These data were cross-correlated to paint a holistic picture of the triple junction site, enabling low electron-fluence in-situ snapshot imaging to avoid dominating the native corrosion reactions with effects from the incident electron beam. This initial result identified that localized, nanogalvanic corrosion at the phase interface was the dominant corrosion process in the low-carbon steel, so we next targeted the observation of an array of these nanogalvanic features phase boundaries in a pearlite grain. Near-surface ferrite/cementite phase interfaces that typify pearlitic low-carbon steel were extracted, pre-characterized, and imaged for the in-situ corrosion processes. The sample was a cross-section from a pearlite grain, with alternating ferrite and cementite grains that extended microns down from the pre-etched low-carbon steel pipe surface. After contact with a buffered aqueous solution, the phase boundaries between the ferrite and cementite began to dissolve, with observable material loss and thickness changes in the dark-field and bright-field STEM images. Within minutes, the corrosion front proceeded deeper into the material, claiming a thin layer of ferrite around all exposed phase boundaries before progressing laterally into the ferrite matrix, converting the ferrite to corrosion product normal to each buried cementite grain. Formation of the corrosion product causes a volumetric expansion, creating a lateral wedging force that mechanically ejects the cementite grains from their grooves and leaves behind percolation channels into the steel substructure. Rapid and deleterious, this nanogalvanic corrosion pathway represents an important target for understanding and preventing run-away degradation in this common building material. Observation of this corrosion mechanism was enabled by the combination of pre-characterization using standard structural, grain, and compositional analysis in the TEM, which provides maps for understanding the reaction propagation captured in low-dose, in-situ, liquid-cell STEM.

corrosion↗

Measuring residual stress in Ti-6Al-4V with HR-EBSD, using reference patterns from annealed material

In this study, elastic strain and residual stress values in an engineering material were determined by high-resolution EBSD (HR-EBSD) using reference patterns from annealed, recrystallized material. Specifically, rolled Ti-6Al-4V sheet was analyzed using HR EBSD in both an as-annealed and a strained state, the latter established via a static two-point bend fixture. The commercial software CrossCourt4 (CC4) was used to evaluate the relative intragranular strain tensor components of the alpha grains mapped by HR-EBSD. The intragranular reference patterns identified in each grain by the software were then replaced with similarly-oriented patterns from scans of the as-annealed, recrystallized material. The CC4 analysis was then repeated to provide calibrated strain and residual stress values. Elastic strains on the order of 10–3 were detected, with corresponding residual stress values on the order of 1 GPa. Subsequent analyses using high energy synchrotron x-ray diffraction showed good correlation with the elastic strains measured by HR-EBSD using the annealed reference patterns. Additionally, the maximum macroscopic stress analytically predicted for two-point bending was in agreement with the residual stress observed. Good repeatability of the methodology and insight into the state of individual grains were also observed. The findings provide encouraging evidence that accurate intragranular and long-range residual stress measurements of engineering significance can be made with HR-EBSD using a physical reference pattern library.

36 MATERIALS SCIENCE↗

Quantitative analysis of three-dimensional fatigue crack path selection in Mg alloy WE43 using high-energy X-ray diffraction microscopy

Fatigue short-cracks in Mg alloys display complex growth behavior due to high plastic anisotropy and crack path dependence on local microstructural features. In this study, the three-dimensional crystallography of short-crack paths in Mg alloy WE43 was characterized by mapping near-field high-energy X-ray diffraction microscopy (HEDM) reconstructed grain maps to high-resolution X-ray CT reconstructions of the fracture surfaces in the crack initiation and short-crack growth regions of six ultrasonic fatigue specimens. Crack–grain–boundary intersections were analyzed at 81 locations across the six crack paths. The basal intragranular, non-basal intragranular, or intergranular character of short-crack growth following each boundary intersection was correlated to crystallographic and geometric parameters of the trailing and leading grains, three-dimensional grain boundary plane, and advancing crack front. The results indicate that crack paths are dependent on the combined crystallographic and geometric character of the local microstructure, and crack path prediction can be improved by use of dimensionality reduction on subsets of high-linear-correlation microstructural parameters.

36 MATERIALS SCIENCE↗

SILICON CARBIDE GRAIN BOUNDARY DISTRIBUTIONS, IRRADIATION CONDITIONS, AND SILVER RETENTION IN IRRADIATED AGR-1 TRISO FUEL PARTICLES

Precession electron diffraction in the transmission electron microscope was used to map grain orientation and ultimately determine grain boundary misorientation angle distributions, relative fractions of grain boundary types (random high angle, low angle or coincident site lattice (CSL)-related boundaries) and the distributions of CSL-related grain boundaries in the SiC layer of irradiated TRISO-coated fuel particles. Two particles from the AGR-1 experiment exhibiting high Ag-110m retention (>80%) were compared to a particle exhibiting low Ag-110m retention (<19%). Irradiated particles with high Ag-110m retention exhibited a lower fraction of random, high angle grain boundaries compared to the low Ag-110m retention particle. An inverse relationship between the random, high angle grain boundary fraction and Ag-110m retention is found and is consistent with grain boundary percolation theory. Also, comparison of the grain boundary distributions with previously reported unirradiated grain boundary distributions, based on SEM-based EBSD for similarly fabricated particles, showed only small differences, i.e. a greater low angle grain boundary fraction in unirradiated SiC. It was, thus, concluded that SiC layers with grain boundary distributions susceptible to Ag-110m release were present prior to irradiation. Finally, irradiation parameters were found to have little effect on the association of fission product precipitates with specific grain boundary types.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗