Ab initio predictions of graphite-like phase with anomalous grain boundaries and flexoelectricity from collapsed carbon nanotubes
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Chongze Hu↗
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Results for “Grain Boundary”
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Understanding the Role of Grain Boundary in Inducing Damage and Failure under Dynamic Loading in BCC Ta
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Shock, Ta, Molecular dynamics↗
Characterizing the Tensile Strength of Metastable Grain Boundaries inSilicon Carbide Using Machine Learning.
Abstract not provided.
Guziewski, Matthew↗
Grain boundary enhanced UN and U3Si2 pellets with improved oxidation resistance
A method of forming a water resistant boundary on a fissile material for use in a water cooled nuclear reactor is described. The method comprises mixing a powdered fissile material selected from the group consisting of UN and U 3 Si 2 with an additive selected from oxidation resistant materials having a melting or softening point lower than the sintering temperature of the fissile material, pressing the mixed fissile and additive materials into a pellet, sintering the pellet to a temperature greater than the melting point of the additive. Alternatively, if the melting point of the oxidation resistant particles is greater than the sintering temperature of UN or U 3 Si 2 , then the oxidation resistant particles can have a particle size distribution less than that of the UN or U 3 Si 2 .
Lahoda, Edward J.↗
Deect Character at Grain Boundary Facet Junctions: A combined HRSTEM and Atomistic Modeling Study of a S=5 GB in Fe.
Abstract not provided.
Medlin, Douglas L.↗
Cation Aggregation on Extended Defects, Grain Boundaries and Phase Boundaries in LSM/YSZ Composite Cathodes
23rd International Conference on Solid State Ionics (SSI-23), Boston, MA, July 17-22, 2022
Picard, Yoosuf↗
Grain boundary enhanced UN and U 3 Si 2 pellets with improved oxidation resistance
A method of forming a water resistant boundary on a fissile material for use in a water cooled nuclear reactor is described. The method comprises mixing a powdered fissile material selected from the group consisting of UN and U3Si2 with an additive selected from oxidation resistant materials having a melting or softening point lower than the sintering temperature of the fissile material, pressing the mixed fissile and additive materials into a pellet, sintering the pellet to a temperature greater than the melting point of the additive. Alternatively, if the melting point of the oxidation resistant particles is greater than the sintering temperature of UN or U3Si2, then the oxidation resistant particles can have a particle size distribution less than that of the UN or U3Si2.
Lahoda, Edward J.↗
Cooling History of Almahata Sitta Ureilite as Inferred from Transmission Electron Microscopy of Iron Metal
Almahata Sitta (AS) is a polymict breccia mainly composed of various ureilite lithologies with lesser chondritic lithologies [1]. In the ureilite lithologies, Fe metal is a common accessory phase present either as large grain boundary grains or small particles formed by reduction of olivine and pyroxene. In our earlier studies on grain boundary metals in one of AS fragments (#44) we found unique features never seen in other ureilites [2,3]. In order to further characterize these metal grains, we performed a detailed TEM study on a FIB section prepared from one of AS #44 grain boundary metals and here discuss its thermal history.
Mikouchi, T.↗
Effect of Heat Treatment on Microstructure and Mechanical Property of 316L Stainless Steel Produced by Laser Powder Bed Fusion
The advanced non-light water reactor designs (Gen IV reactors), including molten salt/ very high temperature/ sodium-cooled and lead-cooled fast reactors, typically operate at higher temperatures and more extreme radiation conditions than light water reactors. An intrinsic part of the deployment and progress of Gen IV reactor designs is selecting the most suitable structural material for a specific application. Additive manufacturing (AM), a fairly new process of making physical, three-dimensional objects from a computer design file, is going to completely change the way of design, build and certify nuclear systems. It offers a range of opportunities to produce complex geometries from existing materials, offers new routes for processing of previously difficult to process materials, allows for design of new high-performance materials, and finally facilitates hybridization of dissimilar materials. This emerging technology has successfully produced cars, wind turbine blade molds and even live cells. It could also open up big opportunities for the nuclear industry to quickly deploy technologies at a fraction of the cost. So far, AM techniques have been preliminarily applied in the field of nuclear reactors, including the classical parts such as the pressure vessel of a small reactor with 508-III steel, the bottom nozzle of a fuel assembly with 304L steel, the fuel cladding with zirconium alloy and the integrated impeller of a pump and the multi-channel valve body with 316L steel [6,7]. The AM applications for operating nuclear reactors started in auxiliary plant components and have slowly migrated to metallic reactors and core components, but many of these are not safety critical components. Although many parts used for nuclear reactors have been fabricated by AM techniques, practical applications in engineering are still a long way off due to the uncertainty factors focused on the processing, material properties, analysis methods and application standards, which feeds the safety and life-cycle of the nuclear reactor. Due to rapid, repeated heating and cooling during production, a high dislocation density was present in the AM material. This microstructure feature is unstable at elevated temperature while high temperature is one of the typical operation environments for nuclear reactors. Thus, it is important to understand the thermal effect on the microstructure of AM material. The objectives of this study are to investigate the effect of heat treatment on the microstructure and mechanical properties of 316L stainless steel produced by laser powder bed fusion additive manufacturing, and to determine an appropriate heat treatment practice that will be applied to the lightweight AM lattice-structured material with the same chemistry. The heat treatment study consisted of annealing the samples at a temperature range of 800 to 1200 oC with a 50 oC increment for different times (1-24 hours), followed by vacuum or air cooling. Microstructural characterization was carried out by Scanning Electron Microscope (SEM). Grain size and crystallographic orientation were investigated by Electron Backscatter Diffraction (EBSD). Vickers hardness tests with a 0.5 kg load were employed to determine the hardness of samples after different heat treatments. After heat treatment, the random crystallographic orientation was preserved, and the volume fraction of high-angle grain boundaries (grain boundary misorientation =15 oC) remained the same. The dislocation density decreased with annealing temperature due to recovery. The fine subgrain structures in the as-printed specimen were quite stable up to 1200 oC. Minimal recrystallization was observed up to 1200 oC. Recrystallization initiated only after 8.5 hours at 1200 oC. The SEM images did not show obvious dependence of microstructure on cooling rate. The hardness of the specimens decreased with increasing annealing temperature as a result of the decrease in dislocation density. It is interesting to note that the AM material showed very similar hardness to the wrought material when annealing at similar temperature, although the microstructures are very different. Annealing at 1050 oC for 1 hour followed by air cooling was selected as the heat treatment procedure for the lattice designed lightweight AM 316L material.
36 MATERIALS SCIENCE↗
Fission Product Diffusion in Silicon Carbide: As Revealed by Computer Simulations and Experimental Measurements
The diffusion and release of fission products through silicon carbide in the tri-structural isotropic (TRISO) fuel particles remain unsolved for decades. The underlying mechanism is quite challenging to be determined. To help unveil the mysterious story, the current work applies molecular dynamics method to show the stability of silver, palladium, ruthenium and iodine as an interstitial and their atomic diffusion along coincident site lattice (CSL) boundary, especially ?3 grain boundary (GB). The major finding presents a much faster diffusion along GB than in bulk for all elements considered. The reasonably close estimate to experiments and simulations where available has confirmed the important role of grain boundary diffusion of Ag and Pd in SiC. However, the discrepancy addressed in Ag with measurements from fuel studies suggest a more complicated mechanism, which might be in correlation with high energy grain boundaries or the presence of crack. The subsequent characterization of Ru and I distribution in SiC-PyC-SiC diffusion couples, which have been ion irradiated at 900?C to 10 dpa and 20 dpa, has performed by secondary ion mass spectrometry (SIMS) analysis. The experiment measurements correlate well with the grain boundary diffusion by simulation, which provide further evidences that the grain boundary diffusion cannot be neglected once the fission products are accessible at the grain boundary.
11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
Microstructural Evaluations of Baseline HSR/EPM Disk Alloys
Six alloys representing two classes of powder metallurgy nickel-based superalloys were examined by transmission electron microscopy (TEM) and phase extraction. Alloys KM4, CH98, IN-100 and 456 are based on a Ni-18Co-12Cr composition while alloys Rene' 88 DT and SR 3 have lower Al and Co and higher Cr contents. The lambda size distributions were determined from quantitative image analysis of the TEM images. The volume fraction of lambda and carbides and the composition of the phases were determined by a combination of phase extraction and TEM. The results showed many similarities in lambda size distributions, grain boundary serrations, and grain boundary carbide frequencies between alloys KM4, CH98, 456, Rene' 88 DT and SR 3 when heat treated to give an approximate grain size of ASTM 6. The density of grain boundary carbides in KM4 was shown to substantially increase as the grain size increased. IN-100 and 456 subjected to a serration cooling heat treatment had much more complex lambda size distributions with very large intergranular and intragranular secondary lambda as well as finer than average cooling and aging lambda. The grain boundary carbides in IN-100 were similar to the other alloys, but 456 given the serration cooling heat treatment had a more variable density of grain boundary carbides. Examination of the phases extracted from the matrix showed that there were significant differences in the phase chemistries and elemental partitioning ratios between the various alloys.
Gabb, Timothy P.↗
Reversing inverse Hall-Petch and direct computation of Hall-Petch coefficients
A 2D bicrystal atomistic model of dislocation transmission through a Σ11<101>{131} symmetric-tilt grain boundary reveals details of Hall-Petch breakdown in the single dislocation regime in Al, Ni, and Cu. Partly based on a previous study, this research determines the stress required for a single dislocation to be transmitted through the Σ11 boundary and finds that single dislocation transmission typically deviates from Hall-Petch behavior because the leading partial dislocation becomes trapped in the boundary and emits glissile grain boundary disconnections that cause boundary sliding deformation at stresses well below boundary transmission stresses. Thus, mechanisms of inverse Hall-Petch, namely grain boundary shear and sliding, are shown to operate in lieu of grain boundary transmission in the single dislocation regime. However, by controlling the applied stresses, inverse Hall-Petch can be reversed and typical Hall- Petch grain boundary transmission regained. This, in turn, allows the direct computation of Hall-Petch coefficients. Further, a second dislocation on the same slip plane preserves typical Hall-Petch behavior for Al and Ni and does not lead to boundary sliding events, thus implying a critical grain size for Hall-Petch breakdown based on the pileup model.
36 MATERIALS SCIENCE↗
Linking microstructure to creep behavior in vertically and horizontally built LPBF Haynes 282 compared with wrought material via θ -projection
Laser Powder Bed Fusion (LPBF) has emerged as a promising route for fabricating intricate geometries in high-performance alloys. Haynes 282 (H282) is a strong candidate for applications such as heat exchangers or engines due to its excellent creep strength and thermal stability; however, the long-term creep behavior of LPBF-processed H282 remains poorly understood. In this study, the θ -projection method is used to analyze and extrapolate the creep behavior of vertically built LPBF, horizontally built LPBF, compared to wrought H282 tested at 816 °C. Vertically built LPBF H282 exhibits the lowest minimum creep rate (MCR), while the horizontally built condition shows a higher MCR comparable to that of wrought H282. Despite these differences, both LPBF conditions exhibit significantly shorter rupture life and reduced rupture strain than the wrought material, with the most severe degradation observed in the horizontal builds, consistent with an earlier onset of tertiary creep and accelerated strain-rate evolution. Microstructural characterization reveals that both LPBF and wrought H282 exhibit abundant twin-related boundary character; however, their grain boundary topologies differ markedly. The wrought alloy contains a higher fraction of low-angle grain boundaries and continuous twin lamellae, whereas the LPBF microstructure is characterized by a suppressed low-angle boundary population and fragmented twin-related boundaries embedded within irregular high-angle grain boundary networks. Fractographic analysis further reveals predominantly intergranular cracking in LPBF H282, accompanied by grain-boundary-decorated carbides, Al 2 O 3 inclusions, and high-aspect-ratio pores. These results demonstrate that grain boundary topology, rather than minimum creep rate alone, plays a critical role in governing creep damage accumulation and rupture behavior in LPBF and wrought H282.
Creep↗
Iron-based nanoparticles and grains
Example nanoparticles may include an iron-based core, and a shell. The shell may include a non-magnetic, anti-ferromagnetic, or ferrimagnetic material. Example alloy compositions may include an iron-based grain, and a grain boundary. The grain boundary may include a non-magnetic, anti-ferromagnetic, or ferrimagnetic material. Example techniques for forming iron-based core-shell nanoparticles may include depositing a shell on an iron-based core. The depositing may include immersing the iron-based core in a salt composition for a predetermined period of time. The depositing may include milling the iron-based core with a salt composition for a predetermined period of time. Example techniques for treating a composition comprising core-shell nanoparticles may include nitriding the composition.
Wang, Jian-Ping↗
Iron-based nanoparticles and grains
Example nanoparticles may include an iron-based core, and a shell. The shell may include a non-magnetic, anti-ferromagnetic, or ferrimagnetic material. Example alloy compositions may include an iron-based grain, and a grain boundary. The grain boundary may include a non-magnetic, anti-ferromagnetic, or ferrimagnetic material. Example techniques for forming iron-based core-shell nanoparticles may include depositing a shell on an iron-based core. The depositing may include immersing the iron-based core in a salt composition for a predetermined period of time. The depositing may include milling the iron-based core with a salt composition for a predetermined period of time. Example techniques for treating a composition comprising core-shell nanoparticles may include nitriding the composition.
Wang, Jian-Ping↗
Uncovering the re-distribution mechanism of Ni in a de-alloyed Ni-Cr alloy in molten fluorinated salts
A mechanism of Ni redeposition during dealloying corrosion of Ni-Cr is investigated. A model Ni20Cr (wt%) metal alloy was exposed to molten LiF-NaF-KF eutectic (FLiNaK) at 600 °C and at an applied potential of +2.1 VK+/K, above the critical potential for onset of dealloying. Upon extended exposure times (up to 12 h), prominent salt-filled corrosion channels emerge along grain boundaries. A unique grain boundary corrosion mechanism, with respect to the exposed faces of the grains, a central focus of this investigation, is intrinsically connected to the formation of high purity Ni-rich de-alloyed regions within the salt-filled channel. We implement microscale techniques such as energy dispersive spectroscopy (EDS) and electron backscatter diffraction (EBSD) to uncover morphological and compositional variations in relevance to the formation of bicontinuous porosity from corrosion dealloying. To rationalize our findings, a phase-field model is developed and discovers a mechanism in which dissolved Ni from one grain can be redeposited on an adjacent grain at a given difference in interfacial energies. The interaction of chemical and structural factors at the grain boundaries plays a central role in elucidating the dynamics of this phenomenon and its implications towards corrosion.
Mills, Sean H↗