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At least 955 records · Page 53

Visualization and validation of twin nucleation and early-stage growth in magnesium

The abrupt occurrence of twinning when Mg is deformed leads to a highly anisotropic response, making it too unreliable for structural use and too unpredictable for observation. Here, we describe an in-situ transmission electron microscopy experiment on Mg crystals with strategically designed geometries for visualization of a long-proposed but unverified twinning mechanism. Combining with atomistic simulations and topological analysis, we conclude that twin nucleation occurs through a pure-shuffle mechanism that requires prismatic-basal transformations. Also, we verified a crystal geometry dependent twin growth mechanism, that is the early-stage growth associated with instability of plasticity flow, which can be dominated either by slower movement of prismatic-basal boundary steps, or by faster glide-shuffle along the twinning plane. The fundamental understanding of twinning provides a pathway to understand deformation from a scientific standpoint and the microstructure design principles to engineer metals with enhanced behavior from a technological standpoint.

36 MATERIALS SCIENCE↗

Transition characteristics and electron kinetics in microhollow cathode discharges

We demonstrate the transition characteristics and electron kinetics of microdischarges in a microgap with a cathode having microstructures using two-dimensional particle-in-cell/Monte Carlo collision (2d3v) simulations. It is found that the microdischarge is inside the hollow cavity at lower pressures, forming microhollow cathode discharges (MHCDs), while the dominant discharge moves outside the cavity at higher pressures, locating above the cathode rectangular protrusion tip. The spatial distributions of the microdischarge parameters (e.g., electric potential and electron density) are presented by capturing the transition characteristics. The electron kinetics of the microdischarges are examined based on the moment analysis of the electron Boltzmann equation. The collisional and non-collisional components of the electron power absorption are decomposed, which were seldomly investigated for microdischarges previously. The results provide fundamental insights into MHCD formation with a structured electrode at varying pressure conditions, which could be beneficial for the design and fabrication of microplasma devices in practical applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Magnetism of Ir 5 + -based double perovskites: Unraveling its nature and the influence of structure

A combination of x-ray-diffraction, x-ray absorption, x-ray magnetic circular dichroism, macroscopic magnetization, and muon-spin relaxation measurements is used to investigate the interplay between structure (both crystallography and microstructure) and magnetism in Sr 2 YIrO 6 as a function of both chemical (Ca-doping) and physical (hydrostatic) pressure. X-ray absorption spectroscopy clearly shows that the physical pressure is more effective in modifying the structure. On the other hand, the dichroic measurements evidence a constant magnetic signal with physical pressure and strong differences with Ca-doping. Muon-spin relaxation reveals the presence of magnetic order, even when this is hidden in the magnetization data. From the combined analysis, the magnetic results are explained in terms of the presence of Ir 6+ or Ir 4+ ions in magnetic clusters, most likely located at and triggered by antisite disorder. The measurements under high physical pressure indicate that the magnetic state is independent of the crystallographic details such as Ir-O distances and Ir-O-Y angles.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Sample Preparation for 3D Characterization of Irradiated Fuel

Thorough characterization of nuclear fuel is essential when striving to understand its microstructural evolution in response to varying irradiation conditions. A detailed understanding of the microstructural evolution of irradiated fuel can be useful when predicting the fuel’s response to off-normal conditions and related phenomena such as high burnup fuel fragmentation (HBFF) and fission gas release. This sort of characterization and the study of complex phenomena like HBFF that are related to fuel performance are an important part of the US Department of Energy Office of Nuclear Energy’s Advanced Fuels Campaign (AFC). Multiple characterization techniques are commonly used to perform post-irradiation examination (PIE) analysis on an irradiated fuel sample, but many of these techniques are limited to the 2D surface analysis of the fuel pellet. Although there is a lot of useful information to be gained by analyzing the fuel pellet surface, a 2D analysis provides only an approximation of the nature of the material’s features, such as porosity and grain structure. Therefore, it is critical to analyze the 3D structure of the material, as materials exist and respond to conditions in all three dimensions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Collective Summary of sCO2 Materials Development (Supercritical Transformational Electric Power Generation (STEP) Level 2 Milestone Report) (Parts I - II)

Polymers such as PTFE (polytetrafluorethylene or Teflon), EPDM (ethylene propylene diene monomer) rubber, FKM fluoroelastomer (Viton), Nylon 11, Nitrile butadiene (NBR) rubber, hydrogenated nitrile rubber (HNBR) and perfluoroelastomers (FF_202) are commonly employed in super critical CO 2 (sCO2) energy conversion systems. O-rings and gaskets made from these polymers face stringent performance conditions such as elevated temperatures, high pressures, pollutants, and corrosive humid environments. In FY 2019, we conducted experiments at high temperatures (100°C and 120°C) under isobaric conditions (20 MPa). Findings showed that elevated temperatures accelerated degradation of polymers in sCO2, and that certain polymer microstructures are more susceptible to degradation over others. In FY 2020, the focus was to understand the effect of sCO2 on polymers at low (10 MPa) and high pressures (40 MPa) under isothermal conditions (100°C). It was clear that the same selectivity was observed in these experiments wherein certain polymeric functionalities showed more propensity to failure over others. Fast diffusion, supported by higher pressures and long exposure times (1000 hours) at the test temperature, caused increased damage in sCO2 environments to even the most robust polymers. We also looked at polymers under compression in sCO2 at 100°C and 20 MPa pressure to imitate actual sealing performance required of these materials in sCO2 systems. Compression worsened the physical damage that resulted from chemical attack of the polymers under these test conditions. In FY 2021, the effect of cycling temperature (from 50°C to 150°C to 50°C) for polymers under a steady sCO2 pressure of 20 MPa was studied. The aim was to understand the influence of cycling temperatures of sCO2 for typical polymers under isobaric (20 MPa) conditions. Thermoplastic polymers (Nylon, and PTFE) and elastomers (EPDM, Viton, Buna N, Neoprene, FF202, and HNBR) were subjected to 20 MPa sCO2 pressure for 50 cycles and 100 cycles in separate experiments. Samples were extracted for ex-situ characterization at 50 cycles and upon the completion of 100 cycles. Each cycle constituted of 175 minutes of cycling from 50°C to 150°C. The polymer samples were examined for physical and chemical changes by Dynamic Mechanical and Thermal Analysis (DMTA), Fourier Transform Infrared (FTIR) spectroscopy, and compression set. Density and mass changes immediately after removal from test were measured for degree of swell comparisons. Optical microscopy techniques and micro computer tomography (micro CT) images were collected on select specimens. Evaluations conducted showed that exposures to super-critical CO2 environments resulted in combinations of physical and/or chemical changes. For each polymer, the dominance of cycling temperatures under sCO2 pressures, were evaluated. Attempts were made to qualitatively link the permanent sCO2 effects to polymer micro- structure, free volume, backbone substitutions, presence of polar groups, and degree of crystallinity differences. This study has established that soft polymeric materials are conducive to failure in sCO2 through mechanisms of failure that are dependent on polymer microstructure and chemistry. Polar pendant groups, large atom substitutions on the backbone are some of the factors that are influential structural factors.

36 MATERIALS SCIENCE↗

Grain-resolved temperature-dependent anisotropy in hexagonal Ti-7Al revealed by synchrotron X-ray diffraction

Hexagonal metals have anisotropic coefficients of thermal expansion causing grain-level internal stresses during heating. High energy x-ray diffraction microscopy, a non-destructive, in situ, micromechanical and microstructural characterization technique, has been used to determine the anisotropic coefficients of thermal expansion (CTEs) for Ti-7Al. Two samples of polycrystalline α-phase Ti-7Al were continuously heated from room temperature to 850 °C while far-field HEDM scans were collected. The results showed a change in the ratio of the CTEs in the ‘a’ and ‘c’ directions which explains discrepancies found in the literature. The CTE additionally appears to be affected by the dissolution of α 2 precipitates. Analysis of the grain-resolved micromechanical data also shows reconfiguration of the grain scale stresses likely due to anisotropic expansion driving crystallographic slip.

36 MATERIALS SCIENCE↗

Detailed characterization of a PWR fuel rod at high burnup in support of LOCA testing

Experimental investigations of the fuel microstructure and volatile fission products along the pellet of a high burnup specimen (local burnup 76 GWd/tHM) have been conducted to support future transient testing. Detailed microscopy examinations have been carried out at different length scales. Transmission electron microscopy has highlighted a significant amount of damage across the entire radius with the formation of networks of dislocations. The optical and scanning electron microscopy determined the formation of three zones in the pellet with different characteristics. An intermediate region with no grain subdivision, lower porosity than the central zone porosity and high retained fission gas in nanometric bubbles and in the matrix was present between r/r0 ˜ 0.55 and 0.8. The high retention of gas in this region might suggest that the region will be prone to fine fragmentation, in addition to the HBS. An abrupt transition in the structure was observed at mid radius, with a third region developing from the mid radius to the pellet center. In this part of the pellet, metallic and grey phases with size between hundreds of nanometers and a few micrometers have formed at grain boundaries. The majority of fission gas has been released from the grain matrix and the original grains have polygonised, forming sub-grain domains separated by low-angle grain boundaries. No final explanation can be given for the polygonization occurring in the center, but on the basis of the irradiation history and the analysis of all the post irradiation examination (PIE) data, it is postulated that the polygonization within the original grains is an effect of dynamic recovery occurring at high temperature in the fuel center.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Characterization of Recrystallized Grains During Static Recrystallization of Hot-Compressed Mg–Zn–Ca Alloys Using In Situ Far-Field High-Energy Diffraction Microscopy

In this study, we explored the effect of Zn content on the static recrystallization of three 80 pct hot-compressed alloys, Mg–0.5Zn–0.1Ca wt pct (ZX050), Mg–1Zn–0.1Ca wt pct (ZX10), and Mg–3.2Zn–0.1Ca wt pct (ZX30), using far-field high-energy microscopy (ff-HEDM). Individual recrystallized grains were tracked and their 3D centroid, relative volume, and grain-averaged crystallographic orientation were measured during annealing. These measurements were used to compare the recrystallization kinetics and texture evolution of recrystallized grains in ZX alloys as a function of the Zn content. Fully recrystallized microstructures were observed for the ZX30 and the ZX10 alloys after annealing at 230 °C and 330 °C, respectively. In contrast, only a partially recrystallized microstructure for the ZX050 alloy was observed after > 1 hour of annealing at 430 °C. The resistance to recrystallization with decreasing Zn content was also confirmed by detecting faster growth rates of recrystallized grains in the ZX10 and ZX30 alloys, and slower growth rates in the ZX050 alloy. The significant recrystallization texture weakening of the ZX10 and ZX30 alloys and the development of a basal texture in the ZX05 alloy were described based on the orientation dependency of nucleation and growth of recrystallized grains. The analysis demonstrated that texture weakening was associated with increasing Zn content in Mg–Zn–Ca alloys.

Roumina, Reza [Univ. of Michigan, Ann Arbor, MI (U↗

304L Can Crush Validation Studies

Accurate prediction of ductile behavior of structural alloys up to and including failure is essential in component or system failure assessment, which is necessary for nuclear weapons alteration and life extensions programs of Sandia National Laboratories. Modeling such behavior requires computational capabilities to robustly capture strong nonlinearities (geometric and material), rate- dependent and temperature-dependent properties, and ductile failure mechanisms. This study's objective is to validate numerical simulations of a high-deformation crush of a stainless steel can. The process consists of identifying a suitable can geometry and loading conditions, conducting the laboratory testing, developing a high-quality Sierra/SM simulation, and then drawing comparisons between model and measurement to assess the fitness of the simulation in regards to material model (plasticity), finite element model construction, and failure model. Following previous material model calibration, a J 2 plasticity model with a microstructural BCJ failure model is employed to model the test specimen made of 304L stainless steel. Simulated results are verified and validated through mesh and mass-scaling convergence studies, parameter sensitivity studies, and a comparison to experimental data. The converged mesh and degree of mass-scaling are the mesh discretization with 140,372 elements, and a mass scaling with a target time increment of 1.0e-6 seconds and time step scale factor of 0.5, respectively. Results from the coupled thermal-mechanical explicit dynamic analysis are comparable to the experimental data. Simulated global force vs displacement (F/D) response predicts key points such as yield, ultimate, and kinks of the experimental F/D response. Furthermore, the final deformed shape of the can and field data predicted from the analysis are similar to that of the deformed can, as measured by 3D optical CMM scans and DIC data from the experiment.

36 MATERIALS SCIENCE↗

Quantifying the Relationship Between Microstructure and Performance in Gadolinium-Doped Ceria Infiltrated Ni/YSZ Symmetric Cells

Infiltration of mixed ionic/electronic conducting (MIEC) nanocatalysts into the anodes of solid oxide fuel cells (SOFCs) allow the hydrogen oxidation reaction (HOR) to occur at double-phase boundaries (DPBs), rather than being confined only to the triple phase boundaries (TPBs). In this research, we use a combination of cross-sectional scanning electron microscopy (SEM), three-dimensional (3-D) reconstruction, and electrochemical methods to characterize both baseline and gadolinium-doped ceria (GDC)-infiltrated symmetric cells, with the goal of establishing a comparison between the density of electrochemically active sites in uninfiltrated and GDC-infiltrated cells. Here, electrochemical impedance spectroscopy (EIS) and distribution of relaxation times (DRT) analysis showed GDC infiltration decreased the overall polarization of the anode by a factor of 8.78 X, and decreased the resistance associated with the reactions at the TPBs/DPBs by a factor of over 21 X. By quantifying expected GDC deposition morphology in the Ni/YSZ anode it is estimated that reactions occur in the baseline cell up to 84 nm from the active TPB lines.

36 MATERIALS SCIENCE↗

A continuum damage approach to spallation and the role of microinertia

Spall failure is of interest due to its prevalence in high strain rate problems in which the spallation is driven by the interaction of release waves. In this article, a porosity-based damage model that includes microinertial effects is used to examine spall failure. The model is successfully calibrated to plate impact-driven experiments and then used to evaluate experimental conditions producing more extreme strain rate conditions, such as those in laser-driven experiments. The incorporation of microinertia allows us to better understand the increase in apparent macroscopic spall strength seen at high strain rates. Correspondingly, we conclude that the incorporation of microinertial effects improves the model’s predictive capabilities. Microinertial effects result in more severe local tensile stresses that affect the damage evolution, and microinertia can play a significant role in the approach to the material’s ideal strength at extreme loading rates. Additionally, a preliminary parametric study is also carried out to investigate the role of microstructural aspects such as nucleation volume fraction and initial pore radius. One counter-intuitive result from the microinertial effects is that, for a given nucleation site volume fraction, having larger initial pore nucleation sites can lead to an improved macroscopic spall strength.

36 MATERIALS SCIENCE↗

Design and characterization of hierarchical aluminosilicate composite materials for Cs entrapment: Adsorption efficiency tied to microstructure

The growing quantity of nuclear waste and the serious threats to the environment challenge researchers to innovate and target new waste form technologies. In the past decades, considerable efforts have been devoted to developing highly selective sorbents followed by safe disposal with the assurance of chemical stability and robust retention performance. Zeolite-containing geopolymers are regarded as a possible 2-in-1 material able to both capture and sequester elements such as Cs in bed fixed column application perspective. Here, these composites show promise for combining extraction properties of zeolite powder due to its crystalline structure (high capacity and selective adsorption), with the tunable microstructure and the shaping feasibility of the geopolymer binder. For the development of materials devoted to Cs immobilization, porous zeolite/geopolymer composites were prepared by dispersing NaY zeolite particles in a geopolymer binder. The influence of the structural properties of such composites on their ability to entrap a large amount of Cs by an ionic exchange process was notably studied. Composites' compositions, porosities, morphologies and crystallinity were analyzed by scanning electron microscopy coupled with energy dispersive x-ray spectroscopy (SEM-EDX), x-ray diffraction analysis (XRD) and nitrogen adsorption/desorption studies. Experimental Cs sorption in batch mode was used to follow the ionic exchange phenomenon in these materials. Along with 5 wt% amount of zeolite in geopolymer improves the Cs adsorption performance offering multiple new adsorption sites. Additionally, the geopolymer mesopores are beneficial facilitating the access of Cs and its role as a binder is advantageous to tailor granular hierarchical structure for safer industrial application.

36 MATERIALS SCIENCE↗

Considering interplay between multiple physical phenomena to elucidate single crystal-like texture, phase transformations, and mechanical behavior of directed energy deposited SS316L

A widespread implementation of large scale additive manufacturing (AM) processes, such as wire arc-directed energy deposition (WA-DED) AM can transform the current manufacturing supply chain networks. Naturally, such implementation requires control of the microstructural attributes, such as texture and phase evolution in the processed alloys. Currently, the texture evolution in fusion-based AM (F-BAM) processes is majorly rationalized by the phenomena occurring only during solidification. However, such rationalization is insufficient for understanding the evolution of primary and secondary crystallographic orientations, and consequently, fails to offer a comprehensive understanding and control of overall texture in F-BAM processed alloys. To this end, we report a single crystal (SX)-like texture in WA-DED processed SS316L for the first time. Furthermore, we assess the physical phenomena that may lead to such unique microstructural evolution during WA-DED AM. Subsequently, using microstructural characterization spanning the build height and thermomechanical simulations we investigate the effect of competitive growth and epitaxial growth occurring during solidification and thermally induced plastic deformation occurring post solidification on the overall texture of WA-DED processed SS316L. A spatial variation in solidification pathway is also established and correlated with variation in undercoolings across the build. Tensile tests revealed a strong orientation dependence of deformation mechanisms with over 110% elongation to failure of specimens deformed along <011>. Such anisotropy is rationalized using Schmid's analysis of dislocation slip and deformation twinning. Importantly, overall, the mechanisms outlined in this work will facilitate an enhanced understanding and subsequent control of texture evolution, solidification behavior and mechanical behavior of WA-DED processed steels.

36 MATERIALS SCIENCE↗

Design of a first-of-A-kind instrumented advanced test reactor irradiation Capsule experiment for In situ thermal conductivity measurements of metallic fuel

Metallic fuel undergoes dramatic microstructural changes early in life due to fission gas swelling until ~2–3 at% burnup which affects the conductivity of the material, however the evolution of metallic fuel thermal conductivity during this early phase burnup has never been successfully measured in situ. The Irradiated Material Properties Accelerated Characterization Test (IMPACT) experiment will be the first in a series of experiments to irradiate advanced nuclear metallic fuel specimens with novel embedded thermal conductivity probes in ATR. In the current work the IMPACT experiment final design and supporting analysis is reported in detail. Results are evaluated for various reactor operational conditions to meet the functional requirements of the experiment. Finally, the first iteration of this IMPACT experiment will provide data regarding thermal properties evolution in uranium-zirconium (U10Zr) fuel, but this experiment vehicle is envisioned for future advanced fuels and structural materials irradiations in ATR.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

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↗

Multi-frame, ultrafast, x-ray microscope for imaging shockwave dynamics

Inertial confinement fusion (ICF) holds increasing promise as a potential source of abundant, clean energy, but has been impeded by defects such as micro-voids in the ablator layer of the fuel capsules. It is critical to understand how these micro-voids interact with the laser-driven shock waves that compress the fuel pellet. At the Matter in Extreme Conditions (MEC) instrument at the Linac Coherent Light Source (LCLS), we utilized an x-ray pulse train with ns separation, an x-ray microscope, and an ultrafast x-ray imaging (UXI) detector to image shock wave interactions with micro-voids. To minimize the high- and low-frequency variations of the captured images, we incorporated principal component analysis (PCA) and image alignment for flat-field correction. After applying these techniques we generated phase and attenuation maps from a 2D hydrodynamic radiation code (xRAGE), which were used to simulate XPCI images that we qualitatively compare with experimental images, providing a one-to-one comparison for benchmarking material performance. Moreover, we implement a transport-of-intensity (TIE) based method to obtain the average projected mass density (areal density) of our experimental images, yielding insight into how defect-bearing ablator materials alter microstructural feature evolution, material compression, and shock wave propagation on ICF-relevant time scales.

47 OTHER INSTRUMENTATION↗

Exceptional Alignment in a Donor–Acceptor Conjugated Polymer via a Previously Unobserved Liquid Crystal Mesophase

Abstract Orienting polymer semiconductors is desirable to optimize device characteristics, provide insight into microstructure, and magnify subtle phase behavior. Here, a combination of uniaxial strain and subsequent heating of the donor–acceptor (DA) polymer PBnDT‐FTAZ is discovered to lead to exceptional optical dichroic ratios of up to 38 (and close to 50 near the polymer's absorption edge). This alignment is achieved due to the existence of a previously undetected thermotropic liquid crystal (LC) mesophase. The LC transition, not discernable through calorimetry, is uncovered through a combination of in situ UV–vis spectroscopy, X‐ray scattering, and dynamic mechanical analysis (DMA). Comparing PBnDT‐FTAZ to the non‐fluorinated PBnDT‐HTAZ and the homo polymer PBnDT, all of which show similar thermal transitions, reveals that exceptional alignment is only found in PBnDT‐FTAZ. This is attributed to the PBnDT‐FTAZ film having two distinct liquid crystal populations, and the polymer templating to a highly aligned, high‐clearing temperature population when heated. The DMA thermal relaxation behavior observed here is also seen in other DA conjugated polymers suggesting that such thermotropic LC mesophases may be common in these materials. These findings demonstrate a polymer semiconductor with remarkable alignment and uncover phase behavior with broad implications for process‐structure‐property relationships in polymer semiconductors.

36 MATERIALS SCIENCE↗

Densification and microstructure features of lithium hydride fabrication

The manufacturing of lithium hydride (LiH) utilizing uniaxial pressing, which offers fabrication with tailorable properties via microstructure control, can lead to the expansion in application of LiH while bypassing the challenges presented by historical casting manufacturing techniques. Through control of consolidation conditions such as pressure, temperature, dwell time and powder load, the presented work highlights the densification of LiH, with an emphasis on quantifying oxygen content, for applications requiring a specific density range necessary for optimized material performance. Karl Fischer Titration and X-ray Diffraction proved useful in determining oxygen and phase content while Computed Tomography and Scanning Electron Microscopy provided structural analysis. The temperature dependent densification of LiH fit with an Arrhenius term resulted in an activation energy of 21.2 kJ/mol. Images of fractured surfaces of LiH pressed at 500 °C revealed drastic grain coarsening, aided by the presence of oxygen impurities.

36 MATERIALS SCIENCE↗