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At least 109 records · Page 6

Quasi-static to Dynamic Mechanical Response and Microstructure Development of Tantalum-Tungsten Alloys

Lawrence Livermore National Laboratory (LLNL) is interested the quasi-static to dynamic mechanical response and microstructure evolution of tantalum-tungsten (Ta-W) alloys (Ta-2.5W, Ta-5W, and Ta-10W, wt.%) made by conventional wrought processing and additive manufacturing (AM). This work scope was performed at the Colorado School of Mines (Mines) and included quasi-static (e.g., 10 -3 s -1 ) mechanical testing in tension and compression, along with selected high strain rate (Kolsky) pressure bar testing in compression (e.g., 10 3 s -1 ), with and without temperature variations in some instances. Complementary microstructure characterization was performed on undeformed and deformed samples to understand the role of processing on microstructural evolution and the deformation mechanisms that impact the mechanical response with variations in strain rate, temperature, and strain state (e.g., tension versus compression in selected examples). The wrought material provided by LLNL from Viridis Materials was found to have unrecrystallized regions within the microstructure, which led to unexpected results relative to previously reported properties for Ta-W. The AM Ta-2.5W (wt.%) material provided by LLNL was found to have higher compressive strength than wrought Ta-2.5W (wt.%), which is hypothesized to be due to differences in the crystallographic texture between the two materials. This project partially supported several postdocs and graduate students at Mines.

36 MATERIALS SCIENCE↗

Dynamic data-driven multiscale modeling for predicting the degradation of a 316L stainless steel nuclear cladding material

Here, we have developed a long short-term memory stacked ensemble (LSTM-SE) surrogate modeling approach that can provide rapid predictions of microstructural evolution and the resultant mechanical properties of American Iron and Steel Institute (AISI) 316L series stainless steel (316LSS) fuel cladding under conditions of varying temperature and radiation dose rate. To acquire training data, we developed and implemented a kinetic Monte Carlo (KMC) model to simulate precipitation kinetics of M 23 C 6 , γ', and G phases within SS316L cladding. Experimentally reported precipitation kinetics of SS316L in literature were linked to the kinetic parameters of the simulated precipitation in our KMC model. The model was then used to simulate microstructure evolution under synthetically generated treatments of varying temperature and radiation dose rate, for periods of up to 3000 hours. Changes in volume fraction, number density, and particle size of precipitates were recorded, and particle area fractions were correlated using statistical methods to develop the surrogate model. Simultaneously, the mechanical properties of the simulated microstructures were evaluated using microstructure-based finite element method (FEM) analysis to determine the elastic modulus, yield stress, ultimate tensile strength, and elongation to failure of the aged microstructures. Using this approach, our surrogate model can predict precipitation behavior within 0.25% volume fraction and mechanical properties within 6% relative error from the values predicted by the KMC and FEM models using 50 training simulations as input. The trained recurrent neural network-based model can return estimations of precipitation kinetics and mechanical properties ~1000 times faster than the physics-based codes. This work demonstrates, as a proof of concept, that reactor material service lifetimes under variable service conditions can be predicted for a statistics-based model from a practicably obtainable dataset.

36 MATERIALS SCIENCE↗

Understanding Formation of Irradiation-Induced Defects through 4D-STEM, Electron Tomography, and WBDF-STEM

A major challenge in advancing nuclear materials for next-generation fission and proposed fusion reactors is to comprehensively understand the formation of irradiation-induced defects. Here it is essential to correlate the evolution of irradiation-induced defects and the degradation of mechanical properties, as they collectively dictate the material's lifespan and ensure nuclear safety. Scanning transmission electron microscopy (STEM) based techniques have emerged as indispensable tools for irradiation-induced defect characterization, offering high spatial resolution imaging and chemical analysis, such as electron energy loss spectroscopy (EELS) and energy dispersive X-ray spectroscopy (EDXS). These techniques have been effectively used to obtain an atomic-scale view of the defect structure. Recent advances in electron microscopy, particularly in 4D-STEM, offer detailed insight into microstructural evolution by capturing full 2D diffraction patterns at every pixel position. Using high-speed direct electron detectors, this technology generates a four-dimensional dataset, overcoming the limitations of traditional STEM imaging.

36 MATERIALS SCIENCE↗

In situ irradiation of spent nuclear fuels

To improve the economics of commercial nuclear reactors, nuclear vendors and utilities are seeking approval for increased burnup usage of the existing nuclear fleet. This is especially critical for meeting the clean energy initiative by the United States Government, Department of Energy (DOE). However, one of the key challenges the nuclear industry faces in this regard is that the regions exposed to high burnup and low temperatures exhibit a fine-grained microstructure with large bubbles known as high-burnup structure (HBS) [1]. The formation of HBS has been correlated to the diminished performance of the reactor, as well as fuel fragmentation and pulverization during transient and accidental conditions [2]. Therefore, it is paramount to understand the mechanisms for HBS formation along with its impact on the properties and performance of nuclear fuels. While existing programs, such as Nuclear Energy Advanced Modeling and Simulation (NEAMS) and Advanced Fuel Campaign (AFC) are focusing on evaluating the performance impact of HBS, the physical mechanisms contributing to HBS formation are still not fully understood. In addition, having predictive capabilities and sound understanding of the microstructural evolution of nuclear fuel is essential for accelerated development, qualification, and deployment of new nuclear materials and novel reactor designs for advanced nuclear reactors. There is a lack of consensus among researchers regarding the mechanisms leading to such restructuring observed in HBS. Grain subdivision due to polygonization versus recrystallization, continuous versus discrete recrystallization occurring in tandem or conjunction, etc., have been proposed and debated. In general, it is hypothesized that defect accumulation and dislocation interaction within the grains cause the realignment of dislocations into grain boundaries, leading to the new subgrain formation, which over time transforms into new grains. However, due to the lack of transient data, the importance of fission rate, irradiation, thermal, and stress history of the fuel on the restructuring could not be assessed. In situ microstructural evolution under various irradiation conditions is desired to bridge this gap. Alternatively, phase-field-based models have been developed to capture HBS formation via discrete recrystallization utilizing the classical nucleation approach [3–5]. However, in these models, the grain nucleation criteria are often defined based on empirical relations for burnup and fission gas density leading to dislocation density change. A mechanistic approach to capture the dislocation interaction with the microstructural features leading to grain subdivision is lacking.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Unveiling the nucleation and growth of Zr oxide precipitates in internally oxidized Nb3Sn superconductors

We report on atomic-scale analyses of nucleation and growth of Zr oxide precipitates and the microstructural evolution of internally oxidized Nb3Sn wires for high-field superconducting magnet applications, utilizing atom probe tomography (APT), transmission electron microscopy (TEM), and first-principles calculations. APT analyses reveal that oxygen and zirconium are already segregated at grain boundaries (GBs) in the unreacted Nb-1Zr-4Ta (at%) alloy prior to forming Nb3Sn through reacting the Nb alloy with Sn and SnO2. After forming Nb3Sn, Zr oxide precipitates nucleate both at the Nb3Sn/Nb heterophase interfaces and in the Nb3Sn grains, driven by the small solubilities of Zr and O in Nb3Sn compared to their value in Nb. A high number density (Nv) of Zr oxide nanoprecipitates is observed in the Nb3Sn layers, ∼10 23 m −3 , with a mean diameter <10 nm for a heat treatment at 625 °C. Quantitative APT and TEM analyses of the Zr oxide precipitates in the reacted Nb3Sn layers elucidate details of the nucleation, growth, and coarsening processes of the Zr oxide precipitates in Nb3Sn. First-principles calculations and classical nucleation theory are employed to study the nucleation of Zr oxide precipitates in Nb3Sn and to estimate the maximum energy barrier and critical radius for nucleation. Our research unveils the kinetic pathways for nucleation and growth of Zr oxide precipitates and the microstructural evolution of Nb3Sn layers, which helps to understand and improve the superconducting properties of internally oxidized Nb3Sn wires for use in high-field superconducting magnets. •We investigated the nucleation and growth of Zr oxide nanoprecipitates in Nb3Sn superconductors for magnet applications.•APT and TEM analyses reveals the nucleation and growth process of Zr oxide precipitates in Nb3Sn layers.•Classical nucleation theory with DFT is employed to describe the nucleation process of Zr oxide precipitates in Nb3Sn.•We find that the interfacial reactions at Nb/Nb3Sn interface play a critical role in the nucleation of Zr oxide precipitates.•Current study provides a pathway to improve the properties of internally oxidized Nb3Sn superconducting wires.

43 PARTICLE ACCELERATORS↗

The effect of fiber microstructure on evolution of residual stresses in silicon carbide/titanium aluminide composites

This paper examines the effect of the morphology of the SCS6 silicon carbide fiber on the evolution of residual stresses in SiC/Ti composites. A micromechanics model based on the concentric cylinder concept is presented which is used to calculate residual stresses in a SiC/Ti composite during axisymmetric cooling by a spatially uniform temperature change. The silicon carbide fiber is modeled as a layered material with five distinct transversely isotropic and orthotropic, elastic layers, whereas the titanium matrix is taken to be isotropic, with temperature-dependent elastoplastic properties. The results arc compared with those obtained based on the assumption that the silicon carbide fiber is isotropic and homogeneous.

Pindera, Marek-Jerzy↗

InSitu SEM Investigation of Microstructural Damage Evolution and Strain Relaxation in a Melt Infiltrated SiC/SiC Composite

With CMC components poised to complete flight certification in turbine engines on commercial aircraft within the near future, there are many efforts within the aerospace community to model the mechanical and environmental degradation of CMCs. Direct observations of damage evolution are needed to support these modeling efforts and provide quantitative measures of damage parameters used in the various models. This study was performed to characterize the damage evolution during tensile loading of a melt infiltrated (MI) silicon carbide reinforced silicon carbide (SiC/SiC) composite. A SiC/SiC tensile coupon was loaded to a maximum global stress of 30 ksi in a tensile fixture within an SEM while observations were made at 5 ksi increments. Both traditional image analysis and DIC (digital image correlation) were used to quantify damage evolution. With the DIC analysis, microscale damage was observed at the fiber-matrix interfaces at stresses as low as 5 ksi. First matrix cracking took place between 20 and 25 ksi, accompanied by an observable relaxation in strain near matrix cracks. Matrix crack opening measurements at the maximum load ranged from 200 nm to 1.5 m. Crack opening along the fiber-matrix interface was also characterized as a function of load and angular position relative to the loading axis. This characterization was funded by NASA GRC and was performed to support NASA GRC modeling of SiC/SiC environmental degradation

testing↗

Microstructure and CPO evolution of dynamically recrystallized olivine during complex deformation conditions: a full-field numerical modeling approach

The rheological properties of mantle rocks are strongly dependent on their crystallographic preferred orientation (CPO). Olivine CPO, defined by the orientation of seismically fast [100] axes parallel to flow direction, is also thought to be a dominant contributor to seismic anisotropy in the Earth's upper mantle. However, the amount of deformation needed to overprint a new CPO on a pre-existing fabric and the impact of the inherited CPOs on the transient microstructure evolution, remain unknown. This study employs a full-field numerical approach (VPFFT-ELLE) to explore the dynamic recrystallization and microstructural evolution of olivine polycrystalline aggregates under complex deformation conditions. We test four combinations of successive pure shear and simple shear boundary conditions. Findings indicate that inherited CPOs influence subsequent deformation in a manner dependent on the kinematic relationship between successive stages. In all cases, a minor strain increment (ε ∼0.3–0.6) is sufficient to erase the previous microstructure and CPO. However, when deformation conditions change dramatically (e.g., stretching direction changes orthogonally), the intensity of the new CPO developed is significantly lower and strain distribution are specially altered. During a transient strain stage, pre-existing microstructures undergo extensive reworking, especially when deformation conditions are changed dramatically, such as switching from simple shear to a pure shear condition with a parallel shortening direction relative to the stretching direction. We estimate the significance of these results in interpreting observations of seismic velocity anisotropy, concluding that P-wave seismic anisotropy is significantly and positively correlated with the evolution of olivine CPO with deformation history. This research underscores the transient nature of microstructural rearrangement in olivine aggregates and the necessity for caution in interpreting seismic anisotropy in regions with complex deformation histories, as inherited CPOs can influence current fabric development and induce deviation to the present deformation conditions.

36 MATERIALS SCIENCE↗

FFTF HT9 Cladding Microstructure Characterization

The sodium-cooled fast reactor (SFR) is a promising candidate for next generation nuclear reactors, operating at extreme conditions which include high temperatures (>500?C core outlet temperature) and significant neutron damage. High-Cr martensitic HT9 steel is an excellent candidate for SFR cladding and duct material due to its compatibility with liquid sodium, good thermal conductivity, resistance to void swelling, and strong creep rupture strength [1-4].However, the harsh in-core environment of SFRs can cause complex microstructural changes and mechanical property degradation in HT-9. Ensuring the safe use of HT9 cladding for metallic fuel requires both a thorough understanding of its mechanical response to microstructure evolution as well as reliable microstructure-sensitive modeling predictions. Microstructure-sensitive modeling of high temperature creep behavior in HT9 cladding for SFR applications currently lack experimental data to model the phenomena accurately. To fill this need, methods to perform microstructural characterization have been developed and performed on HT9.

36 MATERIALS SCIENCE↗

HPC for Optimizing Process Parameters to Control Material Evolution in Seamless Induction Hardening of Wind Turbine Main Shaft Bearings

Work proposed in this project focused on understanding the effect of martensitic transformation in the steel on the potential for cracking during seamless induction hardening (SIH) as a function of process conditions to allow the process to optimally scale up. Large-scale, three-dimensional phase-field simulations of martensitic transformation were performed using MEUMAPPS-SS (Microstructure Evolution Using Massively Parallel Phase-field Simulations – Solid State) code developed at Oak Ridge National Laboratory. The simulations were guided by location-specific thermal history generated by experimental measurements of time-temperature history generated at The Timken Company. The simulations were able to capture the morphological evolution of the martensite variants in an Fe-1.0C-1.5Cr steel based on the Nishiyama-Wasserman (NW) orientation relationship. The simulations were also able to quantify the stress-state at the interface between impinging martensite variants. The simulations indicated that the magnitude of the various stress and strain components were dependent on the sizes of the impinging plates with a reduction in these quantities with reduced plate size in agreement with experimental findings. The results obtained from the simulations will be used to guide the optimization of the alloy thermal conditions to eliminate quench cracking during SIH of bearing steels.

99 GENERAL AND MISCELLANEOUS↗

Effect of laser melt schedule on the microstructure of additively manufactured IN718 Superalloy

Laser powder bed fusion (L-PBF) has enabled the fabrication of geometrically complex metallic structures and components that are challenging to producing using conventional manufacturing approaches. The site-specific and far from equilibrium thermal conditions of L-PBF offer the potential to facilitate multi-length scale design of structure and properties across the atomic-through macro-levels. However, L-PBF systems face scalability challenges due to throughput constraints. Laser rotary powder bed fusion (L-RPBF) systems are being investigated as a solution to enhance the deposition rates compared to conventional L-PBF. Rotary systems also offer additional flexibility for controlling the time structure of melting through laser interleaving on alternating layers. Here, in this study, IN718 test samples were printed using single-laser or interleaved dual-laser configuration in a L-RPBF system to investigates the effect of process settings and melt-interleaving on as-fabricated microstructure. The microstructural evolution, such as grain size and crystallographic texture, was assessed by determining variations in the melt-pool shapes. Laser interleaving leads to a reduction in average grain size compared to single laser by ∼ 40 % at high power (400 W) and by ∼36 % at medium power (370 W). Results presented here identify key challenge for obtaining uniform microstructures and barriers for the broader adoption of high-deposition rate L-RPBF.

Dual-laser↗

Microstructurally validated stable and predictable swelling in low-enriched uranium monolithic U-10Mo fuel mini-plates

Qualification of the low-enriched uranium (LEU) monolithic U-10 wt%Mo (U-10Mo) plate-type fuel system requires a demonstration of a stable and predictable fuel swelling behavior over the anticipated operating conditions of the United States high-performance research reactors (USHPRRs) selected for conversion to LEU operation. This will allow each reactor to develop appropriate safety margins that will retain fuel element lifetime coolability. Additionally, the fuel system must maintain performance attributes when fabricated at a commercial scale. The Mini-plate 1 experiment represents the first irradiation test of commercially fabricated miniaturized monolithic LEU U-10Mo fuel plates. Here, the swelling behavior within this experiment was compared against that of historical fuel developmental tests to reveal that the commercially fabricated fuel performed within the current recommended U-10Mo swelling model's predictions. Additionally, the fuel microstructural evolution was evaluated to link initial conditions to subtle variations detected in the swelling response, providing validation and confidence that the fuel system is robust.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Parameterization of vacancy production rate in phase-field models of fission gas bubble evolution in nuclear fuel

Phase-field modeling has increasingly been used to study microstructural evolution in fission gas bubbles in nuclear fuel to improve understanding of fission gas release. To improve computational efficiency, often only vacancies and gas atoms are included as defect species. In this case, the net effects of vacancy and interstitial production, recombination, and biased sink absorption are included as a net vacancy source, or net vacancy source combined with an effective sink. However, there has been a lack of clarity on what parameter values should be used for these approaches to best match the more complete physical picture that includes interstitials and vacancies. Here, we compare a phase-field model of void growth to analytical models for the source-only and source plus sink approach to gain insight into how the phase-field models can be parameterized effectively. The source-only approach provides greater flexibility to match growth rates determined from the full vacancy-interstitial picture. A strategy was developed for determining the value of the net vacancy source term by comparing to an analytical model that includes vacancy and interstitial production, recombination, and biased sink absorption. Finally, this strategy can be used to parameterize phase-field models of fission gas bubble growth.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Mobility assessment of the BCC and carbide phases in the C-Nb, C-U and Nb-U systems

Uranium carbides with refractory metal additions are considered for Gen IV nuclear reactors and nuclear thermal propulsion as fuels for their high-temperature and corrosion resistant properties. Understanding kinetic effects that dictate microstructural evolution during fabrication and operating conditions is essential to advance technological development of these fuels. This work presents the development of an atomic mobility database for C-Nb-U systems based off available experimental data supported with ab-initio methods. The mobility assessments and uncertainty quantification (using Markov chain Monte Carlo) were conducted in the Kawin software. Carbon diffusion is considered dominant, as metal diffusion is much slower, with niobium diffusion being even slower and rate limiting than uranium metal. We provide a comprehensive and self-consistent thermo-kinetic database that is validated by diffusion couple simulations through Kawin. In conclusion, this enables prediction of microstructural and phase evolution critical for the development and lifetime assessment of next generation nuclear fuels.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Towards Integrated Computational Materials Engineering for Quantifying Performance Impacts of Microstructure and Defect Interactions in Powder Bed Fusion Parts

Powder bed fusion (PBF) additive manufacturing (AM) enables the creation of parts with complexity and functionality levels that were previously impossible with traditional manufacturing methods. By modifying the laser power, hatch spacing, or the numerous other processing parameters, the PBF process supports the production of a wide set of materials and geometries. However, that same process parameter design flexibility causes the process-design space of PBF to be massive and expensive to explore experimentally. Another challenge is quality variation across a build. As a part is being built, geometric variance between locations, such as at a thin-wall section vs. the bulk material, may cause the specified processing parameters to no longer be acceptable for producing defect-free printing. Furthermore, if the processing parameters deviate during the print process, it is difficult to assess if the part will still perform satisfactorily. Integrated Computational Materials Engineering (ICME) provides a way to understand and address these various challenges. This talk will present advancements in process-structure simulations of PBF at NASA Langley Research Center. The ability to simulate grain-scale PBF microstructures using the Physically Based Monte Carlo method will be demonstrated and compared to experimental measurements. Techniques for simulating three-dimensional lack-of-fusion and keyhole porosity defects based on the specific processing conditions and approaches for integrating the two porosity prediction techniques alongside the computational microstructure evolution models will be shown. Finally, the integration of simulated PBF microstructures, embedded process defects, and crystal plasticity finite element models to elucidate the interaction of porosity and microstructure on micromechanical fields will be demonstrated. These integrated techniques demonstrate an example of using ICME to relate processing to performance for PBF AM materials. With continued maturity, it is hoped that such ICME approaches will lead to next-generation computational-materials supported qualification and certification of AM parts.

Additive manufacturing↗

Microstructure and Mechanical Properties of Extruded Gamma Met PX

A gamma TiAl alloy with a high Nb content is being assessed as a compressor blade material. The microstructure and mechanical properties of extruded Ti-45Al-X(Nb,B,C) (at %) were evaluated in both an as-extruded condition and after a lamellar heat treatment. Tensile behavior of both as-extruded and lamellar heat treated specimens was studied in the temperature range of RT to 926 C. In general, the yield stress and ultimate tensile strength reached relatively high values at room temperature and decreased with increasing deformation temperature. The fatigue strength of both microstructures was characterized at 650 C and compared to a baseline TiAl alloy and to a Ni-base superalloy. Tensile and fatigue specimens were also exposed to 800 C for 200 h in air to evaluate the alloy's environmental resistance. A decrease in ductility was observed at room temperature due to the 800 C exposure but the 650 C fatigue properties were unaffected. Compressive and tensile creep testing between 727 and 1027 C revealed that the creep deformation was reproducible and predictable. Creep strengths reached superalloy-like levels at fast strain rates and lower temperatures but deformation at slower strain rates and/or higher temperature indicated significant weakening for the as-extruded condition. At high temperatures and low stresses, the lamellar microstructure had improved creep properties when compared to the as-extruded material. Microstructural evolution during heat treatment, identification of various phases, and the effect of microstructure on the tensile, fatigue, and creep behaviors is discussed.

Draper, S. L.↗

Microstructure and Mechanical Properties of Extruded Gamma Microstructure Met PX

A gamma TiAl alloy with a high Nb content is being assessed as a compressor blade material. The microstructure and mechanical properties of extruded Ti-45Al-X(Nb,B,C) (at.%) were evaluated in both an as-extruded condition and after a lamellar heat treatment. Tensile behavior of both as-extruded and lamellar heat treated specimens was studied in the temperature range of RT to 926 C. In general, the yield stress and ultimate tensile strength reached relatively high values at room temperature and decreased with increasing deformation temperature. The fatigue strength of both microstructures was characterized at 650 C and compared to a baseline TiAl alloy and to a Ni-base superalloy. Tensile and fatigue specimens were also exposed to 800 C for 200 h in air to evaluate the alloy's environmental resistance. A decrease in ductility was observed at room temperature due to the 800 C. exposure but the 650 C fatigue properties were unaffected. Compressive and tensile creep testing between 727 and 1027 C revealed that the creep deformation was reproducible and predictable. Creep strengths reached superalloy-like levels at fast strain rates and lower temperatures but deformation at slower strain rates and/or higher temperature indicated significant weakening for the as-extruded condition. At high temperatures and low stresses, the lamellar microstructure had improved creep properties when compared to the as-extruded material. Microstructural evolution during heat treatment, identification of various phases, and the effect of microstructure on the tensile, fatigue, and creep behaviors is discussed.

Draper, S. L.↗

Metallurgical Mechanisms Controlling Mechanical Properties of Aluminum Alloy 2219 Produced by Electron Beam Freeform Fabrication

The electron beam freeform fabrication (EBF3) layer-additive manufacturing process has been developed to directly fabricate complex geometry components. EBF3 introduces metal wire into a molten pool created on the surface of a substrate by a focused electron beam. Part geometry is achieved by translating the substrate with respect to the beam to build the part one layer at a time. Tensile properties demonstrated for electron beam deposited aluminum and titanium alloys are comparable to wrought products, although the microstructures of the deposits exhibit cast features. Understanding the metallurgical mechanisms controlling mechanical properties is essential to maximizing application of the EBF3 process. Tensile mechanical properties and microstructures were examined for aluminum alloy 2219 fabricated over a range of EBF3 process variables. Unique microstructures were observed within the deposited layers and at interlayer boundaries, which varied within the deposit height due to microstructural evolution associated with the complex thermal history experienced during subsequent layer deposition. Microstructures exhibited irregularly shaped grains with interior dendritic structures, described based on overall grain size, morphology, distribution, and dendrite spacing, and were correlated with deposition parameters. Fracture features were compared with microstructural elements to define fracture paths and aid in definition of basic processing-microstructure-property correlations.

Domack, Marcia S.↗