Effects of Boundary Conditions on Microstructure-Sensitive Fatigue Crystal Plasticity Analysis
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Engineering↗
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Characterization of local morphology and availability of triple-phase boundaries in solid oxide cell electrodes
The performance of solid oxide cells is known to be dependent upon the density of three phase boundaries (TPB), but the potential for improving their effective electrocatalytic activity by morphological adjustments is imprecisely known. A spilling algorithm was developed to characterize the surfaces available for diffusion at TPBs. It scans each slice in a 3-D imaging dataset to measure the interfaces between the solid and the pore phases at each TPB. Because of the stereological approach, these surfaces are defined as “available lengths” (L A ). The measurement was tested on artificial packed spheres structures with controlled properties and a percolation theory-based model before application to a real Ni-YSZ. The L A distributions cover 2 orders of magnitude. The subset shorter than the extent of diffusion profiles reported in the literature is in the range of 3% and 20% for Ni and YSZ, respectively, suggesting possible limitations of their effective electrocatalytic properties. The average L A is larger on YSZ than on Ni, which is a trend opposite to the phase diameter. The available length analysis revealed microstructural characteristics that stem from the manufacturing route and cannot be identified by the inspection of standard metric and topological properties. A strong correlation between the available length and the extension of TPB lines is observed for Ni but not for YSZ, despite the predominance of convex shapes, which likely originates from the Ni reduction. This suggests possibilities for controlling the available length by the manufacturing route, depending specifically on the electrocatalytic properties of the phases in composite materials.
3-D electron microscopy↗
A thermochemical database from high-throughput first-principles calculations and its application to analyzing phase evolution in AM-fabricated IN718
A comprehensive thermochemical database is constructed based on high–throughput first-principles phonon calculations of over 3000 atomic structures in limited concentrations in Ni, Fe, and Co alloys involving a total of 26 elements including Al, B, C, Cr, Cu, Hf, La, Mn, Mo, N, Nb, O, P, Re, Ru, S, Si, Ta, Ti, V, W, Y, and Zr, providing thermochemical data largely unavailable from existing experiments. Here, the database can be employed to predict the equilibrium phase compositions and fractions directly from first-principles by minimizing the chemical potential of a multicomponent system with a fixed overall chemical composition and a fixed temperature. It is applied to the additively manufactured nickel-based IN718 superalloy to analyze the phase evolution with temperature. IN718 is known for its great performance in tensile, fatigue, creep, and rupture strength, combined with easy fabrication and corrosion resistance. In particular, we successfully predicted the formation of L1 0 -FeNi, γ’-Ni 3 (Fe,Al), α-Cr, δ-Ni 3 (Nb,Mo), γ”-Ni 3 Nb, and η-Ni 3 Ti at low temperatures (below 680 K), γ’-Ni 3 Al, δ-Ni 3 Nb, γ”-Ni 3 Nb, α-Cr, and γ-Ni(Fe,Cr,Mo) at intermediate temperatures (between 680 and 1140 K), and δ-Ni 3 Nb and γ-Ni(Fe,Cr,Mo) at high temperatures (above 1140 K) in IN718. These predictions are validated by EDS mapping of compositional distributions and corresponding identifications of phase distributions. The database is expected to be a valuable source for future thermodynamic analysis and microstructure prediction of alloys involving the 26 elements.
36 MATERIALS SCIENCE↗
Role of scan strategies and heat treatment on grain structure evolution in Fe-Si soft magnetic alloys made by laser-powder bed fusion
A major goal in printing soft magnetic Fe-Si steels using additive manufacturing is to take advantage of the potential for complex geometric designs and site-specific grain control. One major step in the processing of these alloys is understanding how processing parameters might impact how the as-built microstructure responds to annealing (i.e. the annealing response). The impact of scan strategy on the annealing response for thin wall geometries is specifically explored. Two scan strategies were explored for a thin wall geometry that produced a strongly columnar grain structure and equiaxed grain structure. Additionally, samples from both scan strategies annealed at 1200 °C showed a marked difference in annealing response with the more equiaxed sample seeing full recrystallization and grain growth, while the more columnar grain structure saw little change in microstructure. After analysis through characterization techniques and thermal-mechanical simulations Differences in internal energy within the grains were ruled out because calculated GND density values were similar for both samples. The formation of secondary particles was ruled out as a contributing factor due to the type of oxide formations and their size. It was concluded that the contributing factor to the difference in the annealing response were a difference in the resulting grain size and the density of high angle grain boundaries. These two differences were largely attributed to differences in the thermal gradient conditions due to grains preferentially growing in the direction of the steepest thermal gradient.
36 MATERIALS SCIENCE↗
Melt extruded versus extrusion compression molded glass-polypropylene long fiber thermoplastic composites
Long fiber thermoplastic (LFT) composites are processed either with extrusion compression or fiber injection processes. The properties of LFT materials are highly influenced by processing techniques, which lead to different porosity contents, fiber length distributions, and fiber orientation distributions. It is important to understand the various LFT processing techniques and their effects on mechanical, thermal, and microscopic properties. This work considered LFT sheets processed via extrusion, which offers highly aligned fibers (referred to as “Tecnogor composites”), and LFT composites produced via extrusion compression molding (ECM), which offers a random distribution of fibers. Tecnogor composites exhibited higher flexural strength (35–65%), flexural modulus (132–172%), tensile strength (39–52%), tensile modulus (67–75%), and Izod impact resistance (195–220%) than the random LFT composites. This response was attributed to the aligned fibers in Tecnogor composites. Mathematical models including Halpin-Tsai and Lavengood-Goettler were used to predict and compare the Young’s modulus of Tecnogor and ECM composites, respectively.
mechanical testing↗
Thermal loading effects on chalk hydromechanical behavior for nuclear waste disposal
Safe disposal of heat-generating nuclear waste depends on host rock stability under thermal, hydrological, and mechanical stresses. This study investigates the effect of thermal loading on mechanical behavior of the shallowly buried Ghareb formation chalk through triaxial and hydrostatic constant strain rate and creep tests at temperatures up to 100 ˚C and effective pressures up to 20.7 MPa. Experimental results show that thermal loading reduces the elastic moduli of chalk by 50–75%, and a transition occurs above 60 ˚C where creep rates increase rapidly. Water saturation nearly doubles the thermally induced strain compared to dry conditions and strongly decreases material rigidity. Thermal loading also leads to significant pore pressure increases under undrained conditions and leads to reductions in the apparent permeability during drained conditions. Laboratory experimental data were used to parameterize and develop a preliminary constitutive model for predicting future deformation during repository operations in the Ghareb. The strongly coupled effects – mechanical weakening, fluid pressure fluctuations, and permeability modification – demonstrate that elevated repository temperatures will have a pronounced effect on the near field Ghareb behavior during waste disposal operations. The findings indicate that the coupled interactions must be considered in predictive models and repository design to ensure long-term nuclear waste isolation and safety.
12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
Effect of sample size on the maximum value distribution of fatigue driving forces in metals and alloys
An analytical framework is presented to predict the effects of sample size on the maximum value distribution (MVD) of the driving forces for fatigue crack formation in metals and alloys. The distribution of the maximum driving force for fatigue crack formation over the domain follows the generalized extreme value theory in the limit as the domain size increases to infinity. Here, a simulation-based analysis of microstructure influences on fatigue resistance for polycrystalline metals and alloys is very costly, and reaching those limits is intractable. This work models the MVD of Fatigue Indicator Parameters (FIPs), which serve as surrogate measures for the driving force for fatigue crack formation, at finite sample sizes prior to their convergence to a limiting extreme value distribution. Large-scale crystal plasticity finite element (CPFE) simulations of FCC Al 7075-T6 with microstructure realizations of various sizes are incorporated to calibrate and evaluate the developed framework, and a total of ∼6.5 million grains of Al 7075-T6 are examined. The calibrated analytical solution agrees well with the brute force Monte Carlo simulation results extracted from the CPFE simulations. Furthermore, the developed formulation can predict the MVD of FIPs for different sample sizes using a size-dependent parameter, and it is capable of accurately extrapolating the MVD of FIPs for much larger microstructure sample sizes than the size used for its calibration.
Crystal plasticity↗
Epsilon Metal Waste Form for Immobilization of Noble Metals from Used Nuclear Fuel
Epsilon metal (ε-metal), an alloy of Mo, Pd, Rh, Ru, and Tc, is being developed as a waste form to treat and immobilize the undissolved solids and dissolved noble metals from aqueous reprocessing of commercial used nuclear fuel. Epsilon metal is an attractive waste form for several reasons: increased durability relative to borosilicate glass, it can be fabricated without additives (100% waste loading), and in addition it also benefits borosilicate glass waste loading by eliminating noble metals from the glass and thus the processing problems related there insolubility in glass. This work focused on the processing aspects of the epsilon metal waste form development. Epsilon metal is comprised of refractory metals resulting in high reaction temperatures to form the alloy, expected to be 1500 - 2000°C making it a non-trivial phase to fabricate by traditional methods. Three commercially available advanced technologies were identified: spark-plasma sintering, microwave sintering, and hot isostatic pressing, and investigated as potential methods to fabricate this waste form. Results of these investigations are reported and compared in terms of bulk density, phase assemblage (X-ray diffraction and elemental analysis), and microstructure (scanning electron microscopy).
11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
Development of castable nanostructured alloys as a new generation RAFM steels
Castable nanostructured alloys (CNAs) are being developed as a new generation of reduced-activation ferritic-martensitic (RAFM) steels to overcome certain limitations of the current RAFM steels, such as their narrow operating temperature range and associated low strength at high temperatures. Six CNAs were developed and examined, exhibiting noticeably increased yield strength, tensile strength and creep resistance as compared to the current RAFM steels, which are comparable to ODS-Eurofer (0.3% Y 2 O 3 ) at 650 °C. The enhanced strength of CNAs is also associated with a beneficial increase in Charpy impact upper-shelf energies, up to ~2.5 times that of the current RAFM steels, with comparable ductile-brittle transition temperatures. Furthermore, a broad analysis of microstructure, alloy chemistry and grain size analyses clearly support the mechanisms that explain the mechanical property improvements of these CNAs, providing essential insight for further development of advanced RAFM steels to meet the challenges of future fusion reactors.
36 MATERIALS SCIENCE↗
Microstructural heterogeneity of the buffer layer of TRISO nuclear fuel particles
Tristructural isotropic (TRISO) nuclear fuel particles contain a layered spherical shell designed to retain fission products; however, failure occurs in rare cases—commonly initiated in the porous pyrocarbon buffer layer. Achieving a comprehensive understanding of the buffer-initiated failure mechanisms requires detailed characterization of the buffer porosity and its heterogeneous distribution across multiple length scales. Here we performed FIB-SEM tomography across the buffer layer thickness (~100 µm) to produce 3D reconstructions of the buffer microstructure with 50 nm spatial resolution. We found an average overall porosity of ~14%, which does not solely account for the low density of the buffer (50% of the theoretical density). Additionally, the local porosity and its fluctuation increase from the kernel interface towards the inner pyrocarbon (IPyC) layer, which we attribute to the chemical vapor deposition process conditions during the TRISO particle fabrication. Detailed characterization of the porous microstructure—including analysis of the pore size, distribution, shape, and orientation—provides insight into the process-structure-property-performance relations of TRISO nuclear fuel particles and will inform multiscale models designed to predict the failure of TRISO particles under irradiation.
11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
Novel Y doped Bi{sub 2}WO{sub 6} photocatalyst: Hydrothermal fabrication, characterization and enhanced visible-light-driven photocatalytic activity for Rhodamine B degradation and photocurrent generation
Visible-light-driven (VLD) Yttrium (Y) ion doped Bi{sub 2}WO{sub 6} photocatalyst has been synthesized via a facile hydrothermal route. Incorporation of Y{sup 3} {sup +} into Bi{sub 2}WO{sub 6} lattice was successfully confirmed by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) and ICP analysis. The microstructure and optical property of the as-prepared samples have been characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), nitrogen adsorption–desorption isotherm and UV–vis diffuse reflectance spectra (DRS). The photocatalytic experiments indicated that the Y-Bi{sub 2}WO{sub 6} showed a much higher photocatalytic activity than the pristine Bi{sub 2}WO{sub 6} for the degradation of Rhodamine B (RhB) and photocurrent (PC) generation. This enhancement should be ascribed to the slightly increased band gap and the generated defects by Y{sup 3} {sup +} doping, thus resulting in a much lower recombination rate of the photoinduced electrons and holes. Such a process was verified by the photoluminescence (PL) spectroscopy. In addition, the active species trapping experiments indicated that holes (h{sup +}) and superoxide radicals (·O{sub 2}{sup −}) play important roles in the photocatalytic reaction. - Highlights: • Novel Y-Bi{sub 2}WO{sub 6} photocatalyst has been synthesized by a facile hydrothermal route. • Y-Bi{sub 2}WO{sub 6} exhibits a much higher photocatalytic activity than pristine Bi{sub 2}WO{sub 6}. • Holes (h{sup +}) and superoxide radicals (·O{sub 2}{sup −}) are the two main active species. • Y{sup 3} {sup +} ion can result in a low recombination of photogenerated electron and hole.
36 MATERIALS SCIENCE↗
EBSD analysis of surface and bulk microstructure evolution during interrupted tensile testing of a Fe-19Cr-12Ni alloy
Highlights: • Similar deformation structures are obtained for surface and bulk grains. • A lower strain is needed for twinning in surface grains than in bulk grains. • A reduced ability to cross-slip due to low SFE leads to an increasing LAB density. • Twinning reduces the dislocation slip length. • High strain-hardening rate is maintained up to high strains. - Abstract: The microstructure evolution in both surface and bulk grains in a pure Fe-19Cr-12Ni alloy has been analyzed using electron backscatter diffraction after tensile testing interrupted at different strains. Surface grains were studied during in situ tensile testing performed in a scanning electron microscope, whereas bulk grains were studied after conventional tensile testing. The evolution of the deformation structure in surface and bulk grains displays a strong resemblance but the strain needed to obtain a similar deformation structure is lower in the case of surface grains. Both slip and twinning are observed to be important deformation mechanisms, whereas deformation-induced martensite formation is of minor importance. Since the stacking fault energy (SFE) is low, ~17 mJ/m{sup 2}, dynamic recovery by cross slip of un-dissociated dislocations is unfavorable. This reduces the annihilation of dislocations which in turn leads to a significant increase of low angle boundaries with increasing strain. The low SFE also favors formation of deformation twins which reduces the slip distance, leading to a hardening similar to the Hall-Petch relation. The combination of a low ability for cross-slip and a reduced slip distance caused by twinning is concluded to be the main reason for maintaining a high strain-hardening rate up to strains close to necking.
36 MATERIALS SCIENCE↗
Residual stresses distribution, correlated with bending tests, within explosively welded Ti gr. 2/A1050 bimetals
Highlights: • Ti gr.2/A1050 clad was slightly affected by the explosive welding since negative sign values of stress tensor were detected. • Upon bending higher negative compression stresses were detected in this area. • Twins morphology changed from parallel to cross-shaped arrangement as a consequence of bending. • The compressive twinning was the dominant system before and after three point bending. - Abstract: Synchrotron radiation and XRD{sup 2} method were used to investigate the residual stress distribution before and after three point bending tests within an explosively welded composite composed of two light metals, namely: Ti gr. 2 and A1050. The analysis has shown that the bimetal is slightly affected by the explosive welding process since negative sign values of stress tensor were detected only in the immediate vicinity of interface of Ti gr. 2 characterized by a width of about 0.25 mm. Upon bending higher negative compression stresses are detected in this area as the σ{sub 11} value changes from −500 MPa to −1200 MPa. Additionally, the analysis of microstructure has revealed significant changes in twins morphology with primary and conjugate twinning before and after bending, respectively. However, the compressive twinning was the dominant system in both cases. Bending has changed the initial bimodal texture developing more spread basal components towards the transverse direction. The sample surface has been also significantly affected as the presence of compressive residual stress (−500 MPa) after bending was measured.
36 MATERIALS SCIENCE↗
Automated identification of deformation twin systems in Mg WE43 from SEM DIC
In this study, the application of machine learning and computer vision approaches to microscale deformation data for the automated identification of deformation twinning systems, and their associated twin area, is introduced. Deformation data was obtained during in-situ SEM compression testing of a WE43 Mg alloy using digital image correlation (DIC) modified for use with electron microscopy. A 5.7 mm × 3.4 mm area of interest was analyzed, generating ~100 million data points of deformation. Experimental twin trace directions were determined by applying k-means clustering, morphological thinning, and Hough transforms to the deformation data. The identification of deformation twinning was achieved by consideration of the twin trace direction, its strain value, and its evolution. The deformation map was divided into areas corresponding to individual active twin systems, enabling the analysis of microstructure dependence of deformation behavior and twinning activity. The performance of the proposed twinning identification approach was evaluated by accuracy, precision, and sensitivity metrics. The effect of the tuning parameters used in the algorithm on the performance is also discussed.
36 MATERIALS SCIENCE↗
Analysis of contact conditions and microstructure evolution in shear assisted processing and extrusion using smoothed particle hydrodynamics method
Shear assisted processing and extrusion (ShAPE) is a solid-phase processing technique that adds an additional shear force as compared with a conventional extrusion approach. Recently, ShAPE has demonstrated the capability of extruding high-performance aluminum alloy 7075 (AA7075) tubes at speeds up to 12.2 m/min without surface tearing. However, the relationship among the ShAPE processing parameters, thermomechanical conditions, contact conditions, heat generation, and microstructure evolution remains primarily empirical because an insightful understanding of the associated physics is still lacking. To help elucidate these relationships, this work proposes a thermomechanical meshfree model for the first time for ShAPE processing of AA7075 using the smoothed particle hydrodynamics (SPH) method. The meshfree model is first validated thoroughly by experimental data in terms of material flow, die face temperature, and extrusion force with various processing parameters. The validated model is then used to analyze the steady-state contact conditions and heat generation rates during ShAPE processing. Distributions of the average grain size of AA7075 being extruded are calculated using the SPH model output. The meshfree model results reveal that extrusions conducted at lower temperatures and higher strain rates yield more refined grains and possibly higher material strength, which is also consistent with the experimental observations.
36 MATERIALS SCIENCE↗
Microstructure insensitive twinning: A statistical analysis of incipient twins in high-purity titanium
Not Available
Livescu, Veronica (ORCID:0000000316239270)↗
On the quantitative characterization of weld microstructures
Here, a new technique to quantify grain shape and grain boundary curvature in the fusion zone (FZ) and the heat-effected zone (HAZ) of refractory metals and alloys has been developed. The application of this technique to quantify the effect of welding speed on these microstructural characteristics in simulated molybdenum welds is highlighted in this study. A 50% increase in weld speed more than doubles the fraction of grain segments in the fusion zone with orientations between 00 to 300 to the normal to the welding direction, with a corresponding 50% decrease in the fraction of grain segments oriented along the welding direction. This increase in weld speed also results in a reduction in grain size from approximately 120 µm to 84 µm along the WD at the FZ centerline. Grain boundary curvature is negative near the weld centerline and the edge of the fusion zone, indicating that with increasing distance from the weld centerline, the grain segments progressively rotate towards a direction normal to the welding direction at both locations. Presence of regions with relatively straight grain segments indicated by curvatures close to zero were identified in between the weld centerline and the edge of the FZ at all weld speeds.
36 MATERIALS SCIENCE↗
The mechanism of eutectic growth in highly anisotropic materials
In the past 50 years, there has been increasing interest—both theoretically and experimentally—in the problem of pattern formation of a moving boundary, such as a solidification front. One example of pattern formation is that of irregular eutectic solidification, in which the solid–liquid interface is non-isothermal and the interphase spacing varies in ways that are poorly understood. Here, we identify the growth mode of irregular eutectics, using reconstructions from four-dimensional (that is, time and space resolved) X-ray microtomography. Our results show that the eutectic growth process can be markedly different from that seen in previously used model systems and theories based on the ex situ analysis of microstructure. In light of our experimental findings, we present a coherent growth model of irregular eutectic solidification.
Science & Technology - Other Topics↗