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At least 1,369 records · Page 76
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Elucidating microstructural evolution and hardness variation across friction self-piercing riveted Al-7055 using synchrotron X-ray scattering and advanced microscopy techniques

Friction self-piercing riveting (FSPR) is a unique hybrid joining technique that combines the advantages of mechanical interlocking, frictional heat, and solid-state joining (if metallurgically compatible) to produce crack free joints in high strength and/or low-ductility alloys at room temperature. Here, in the current study, Al-7055 sheets were joined using FSPR for lightweight automotive applications and significant microhardness variations were observed across the joint cross-section. A detailed microstructural characterization at multiple length scales was carried out using advanced electron microscopy and X-ray scattering techniques to provide a fundamental understanding of the process-structure-property relationships. The relative contributions of microstructural characteristics at various length scales (i.e., grain size, dislocation density, solute concentration, precipitate nature) to strengthening were estimated using existent formulations (i.e., Hall-Petch, Taylor, precipitate bypass/shear equations) and correlated to the observed microhardness values across different regions. Small-angle X-ray scattering and scanning transmission electron microscopy revealed significant changes in the size and volume fraction of precipitate species, i.e., GP-I Zones, η′, and Mg/Zn solute co-clusters, depending on the process region. It was observed that the dissolution of the small η′/GP-I zones (T ∼ 150–200 °C) in the heat-affected zone were the key reason for the hardness drop. Further, it was shown that solid-solution, dislocation, grain size and solute co-cluster strengthening played a key role in the thermo-mechanically affected zone and grain-refined zone (GRZ). Finally, these observations were leveraged along with the Zener-Holloman relationship and grain size in the GRZ to estimate the peak joining temperature of the GRZ (∼ 350 °C) near the steel rivet.

aluminum 7xxx alloy↗
DOE OSTI2022

Dispersing Agents Impact Performance of Protonated Phosphonic Acid High-Temperature Polymer Electrolyte Membrane Fuel Cells

The microstructure of ionomers plays a significant role in the performance of high-temperature polymer electrolyte membrane fuel cells (HT-PEMFCs). Here, we establish direct correlations between the properties of dispersing agents and the microstructure of a protonated phosphonic acid ionomer. Most importantly, the formation of the porous structure of a protonated phosphonic acid ionomer depends on the pK a of the liquid media. Namely, the acid–base interaction between the charged polymer and dispersing agents determines the porosity in the ionomer thin films. The HT-PEMFC performance increases with the level of porosity of the ionomer, as the pores enable fast reactant gas accessibility. Overall, this study concludes the importance of the pK a of ionomers’ dispersing media for the HT-PEMFC performance.

25 ENERGY STORAGE↗
DOE OSTI2020

Survey of Modeling and Simulation Techniques for Advanced Manufacturing Technologies Volume I – Predicting Initial Microstructures

This report summarizes the current state of modeling and simulation methods for predicting the initial structure and properties of material in components assembled using advanced manufacturing technologies (AMTs). The report is the first volume in a two-volume series. This first volume focuses on predicting initial microstructures of AM material. The second volume discusses predicting material properties given the initial microstructure. The focus is on technologies of particular relevance to the design and manufacture of nuclear reactor components. The purpose of the report is to help develop the technical knowledge base to support regulatory decisions that will be needed to assess nuclear components manufactured with AMTs as these components are installed at nuclear power plants (NPPs). The report develops a list of AMTs of particular interest to the NRC and summarizes the key microstructural features and corresponding processing parameters relevant to each technology. Further sections describe available physically-based and data-driven prediction methods and survey widely available software tools. The report concludes with a summary of gaps that may be of particular interest to the NRC when evaluating modeling and simulation methods for AMTs.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Comparative Analysis of Radial and Random Microstructures of Mesophase Pitch Carbon Fibers

Carbon fibers (CF) with radial and random microstructures are produced. Here, these fibers are subjected to identical treatment before being mechanically tested and analyzed with Weibull analysis, with the results revealing a statistically significant difference in tensile strengths of 2.23 GPa for random CF and 1.69 GPa for radial CF. Raman mapping probed the crystalline structure perpendicular to the fiber axis and found a uniform structure, while wide‐angle X‐ray diffraction showed a significant difference of 7.5 Å in the crystallites’ basal lengths parallel to the fiber. Small‐angle X‐ray scattering is completed parallel to the fiber for the first time. A cross‐section Guinier plot of the 1D azimuthal integration is generated assuming symmetric scattering, and the parallel scatterers are found to have a similar length scale to the crystallite's length, validating the testing method. Finally, transmission electron microscopy is completed on the longitudinal cross‐section of each fiber. The radial carbon fiber is found to have a core–shell structure, as evidenced further by fast Fourier transform images. Through all studies, it is shown that the structure developed during mesophase pitch spinning altered the microstructure, thus impacting the mechanical properties, confirming a direct relationship between processing, structure, and properties.

Scherschel, Alexander [Univ. of Virginia, Charlott↗
DOE OSTI2024

A Case Study of Multimodal, Multi-institutional Data Management for the Combinatorial Materials Science Community

Although the convergence of high-performance computing, automation, and machine learning has significantly altered the materials design timeline, transformative advances in functional materials and acceleration of their design will require addressing the deficiencies that currently exist in materials informatics, particularly a lack of standardized experimental data management. The challenges associated with experimental data management are especially true for combinatorial materials science, where advancements in automation of experimental workflows have produced datasets that are often too large and too complex for human reasoning. The data management challenge is further compounded by the multimodal and multi-institutional nature of these datasets, as they tend to be distributed across multiple institutions and can vary substantially in format, size, and content. Furthermore, modern materials engineering requires the tuning of not only composition but also of phase and microstructure to elucidate processing–structure–property–performance relationships. To adequately map a materials design space from such datasets, an ideal materials data infrastructure would contain data and metadata describing (i) synthesis and processing conditions, (ii) characterization results, and (iii) property and performance measurements. In this work, we present a case study for the low-barrier development of such a dashboard that enables standardized organization, analysis, and visualization of a large data lake consisting of combinatorial datasets of synthesis and processing conditions, X-ray diffraction patterns, and materials property measurements generated at several different institutions. While this dashboard was developed specifically for data-driven thermoelectric materials discovery, we envision the adaptation of this prototype to other materials applications, and, more ambitiously, future integration into an all-encompassing materials data management infrastructure.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Additive manufacturing enabled synergetic strengthening of bimodal reinforcing particles for aluminum matrix composites

An additive manufactured TiB 2 /Al-Cu-Mg-Ni composite with a minor amount of Sc was fabricated by laser powder bed fusion (LPBF). The composite shows a yield strength of ~370 MPa, almost doubling the strength of its wrought matrix counterpart, and an elongation of ~7 %. The superior mechanical properties are attributed to a unique micro-nano hierarchical microstructure, consisting of nanoscale and microscale TiB 2 particles dispersed in a matrix of fine aluminum grains (3 µm) together with intragranular intermetallic nanoparticles and nano-cellular networks (cell size 30 nm). The formation of the TiB 2 nanoparticles is the consequence of partial dissolution of the TiB 2 particulates and the enrichment of Sc in the newly formed nanoparticles. Remarkable strengthening effects are achieved by the bimodal TiB 2 particles, intermetallic nanoparticles and intragranular nano-cellular networks. Finally, this study provides new insights into the role of additive manufacturing in tailoring the microstructure of particulate reinforced metal matrix composites (MMCs) with advanced properties.

36 MATERIALS SCIENCE↗
DOE OSTI2025

A Green’s function fast multipole method for computation of micromechanical fields in heterogeneous materials

Computation of micromechanical fields in heterogeneous materials is usually performed using either the finite element method or the Green’s function method based on FFTs. The finite element method allows for accurate discretization and for non-periodic boundary conditions but is computationally expensive. On the other hand, the FFT-based method is computationally efficient but requires discretization on a regular grid of hexahedral voxels. In this paper, a Green’s function method allowing for accurate discretization using tetrahedral elements and for non-periodic boundary conditions is proposed. The convolution is computed using the fast multipole method, which provides good accuracy even for low-order expansion due to the fast decay of interactions between elements. The proposed Green’s function fast multipole method is verified by comparison with analytical and FFT-based solutions. Furthermore, the computational time is analyzed and compared to the FFT-based method for non-periodic convolution. Finally, effective properties of an elastic polycrystalline microstructure containing thin intergranular cracks are computed and analyzed.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Phase stability in cast and additively manufactured Al-rich Al-Cu-Ce alloys

Additively manufactured (AM) eutectic Al alloy systems have been studied extensively for advantageous thermal stability and mechanical properties due to their refined microstructures. Al-Cu-Ce alloys are one subset of these AM eutectic alloys. Here we studied phase stability in AM Al-Cu-Ce alloys and compared it to that of conventionally cast ones. A new phase, Al 8 Cu 3 Ce, was identified in the microstructures of both AM and cast Al-Cu-Ce alloys. This Al 8 Cu 3 Ce phase was not previously included on experimental or thermodynamically calculated phase diagrams of the Al-Cu-Ce system. Therefore, we performed additional thermodynamic modeling of the system. These models were experimentally validated with cast and subsequently heat-treated Al-Cu-Ce alloys. We found that despite the refined microstructure of the AM alloys, the phases formed were consistent with the cast alloys, suggesting that AM processing did not significantly alter the formation and stability of phases from that in the conventional alloys. In conclusion, this work has resolved inconsistent previous descriptions of the Al-Cu-Ce ternary phase diagram in the Al-rich region and resulted in the addition of the Al 8 Cu 3 Ce as an equilibrium phase above 500 °C.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Optimizing Bendability and Hardness of Age-Hardenable Aluminum Sheets through Local Thermo-Mechanical Processing

This paper introduces a novel thermo-mechanical process to modify the local mechanical properties of 6xxx aluminum (Al-Mg-Si-Cu) alloy sheets. In this process, two pairs of rollers travel along the length of a sheet while locally bending and unbending it so that the final shape and thickness of the sheet remains unchanged. Room temperature bending/unbending (B/U) produces a deformation gradient through thickness and local hardening in both T4 and T6 sheets (with 41% and 18% greater Vickers hardness, respectively). High temperature bending/unbending performed at ~ 500°C via induction heating, produces significant improvements in local formability as measured by bend testing. Formability levels equivalent to the as-received T4 temper are achieved within the processed zones of T6 sheets with bend angles of ~ 150°, without disturbing the T6 temper in the remainder of the sheet. Finite element simulations and characterization explained the mechanical property improvements and the heterogenous microstructure with weakened Cube texture. Due to its similarity with the roller hemming process, and its compact dimensions, the apparatus developed for B/U has the potential for seamless integration with roller hemming robots to selectively process high strength aluminum sheet materials within mass-production settings.

Efe, Mert [BATTELLE (PACIFIC NW LAB)]↗
DOE OSTI2026

Methods development towards automated, physics-informed, quantitative quality control of TRISO-SiC

Tristructural-isotropic (TRISO) fuel particles have been developed as a high-performance fuel for use in high-temperature gas-cooled reactor (HTGR) systems due to their high efficiency and stability under both normal and off-normal conditions. Broader deployment of this technology in advanced nuclear applications may benefit from quantitative quality assurance and quality control (QA/QC) methods that directly link TRISO properties to downstream performance. A key TRISO property is the SiC layer microstructure, which influences fission product retention during irradiation. However, existing QA/QC for the TRISO-SiC microstructure comprises only a qualitative visual inspection; therefore, there is a clear opportunity for the development of quantitative methods for TRISO QA/QC. Here, to this end, previous work has demonstrated an image processing approach to grain boundary (GB) identification and subsequent extraction of microstructural metrics; however, extensive twinning within the SiC layer complicates such analyses because twin GBs significantly influence microstructural metrics but are not expected to contribute to fission product transport. This study presents the initial development, training, and testing of an ML-based image segmentation algorithm designed to identify and remove twin GBs from standard backscattered electron micrographs, providing an industrially applicable, quantitative, and physically meaningful QA/QC approach for the TRISO-SiC microstructure. Although pixel-wise performance metrics for the twin predictions are low, the change in grain area and the number of GB pixels after twin removal predicted by the ML workflow are within 1% of the true values calculated using crystallographic data. This suggests that the model is well capable of predicting overall twin boundary structures and grain morphology, and continued advancement of this approach could enable automated, scalable, and physics-informed QA/QC for TRISO-SiC microstructures, supporting the reliable qualification of coated particle fuels for next-generation reactor systems.

Computer vision↗
DOE OSTI2022

Indentation investigation of 304L stainless steel friction stir weld simulated crack repair

Simulated cracks were repaired in 304L stainless steel using low temperature friction stir welding. Indentation studies were carried out to understand the effect of microstructural features on the mechanical property variation across the weld and to measure the size of the weld zones with a quantitative technique. Microhardness and nanoindentation hardness profiles were constructed on a transverse section across the weld. The data obtained were correlated by extrapolating the nanoindentation hardness to greater depths which showed that the nanoindentation hardness closely reflects the microhardness values throughout the weld. Finally, grain size in the stir zone (SZ) was found to vary with the tool temperature which, in turn, alters the nanoindentation modulus variability and higher tool temperature resulted in widening of the SZ.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Wrought FeCrAl alloy (C26M) cladding behavior and burst under simulated loss-of-coolant accident conditions

Cladding burst experiments for FeCrAl cladding were performed in the Severe Accident Test Station facility at Oak Ridge National Laboratory. These experiments were simulated using the BISON fuel performance code to better understand the cladding plastic behavior and failure under simulated loss-of-coolant accident conditions. 3D cladding surface boundary conditions were generated using composite axial and azimuthal profiles from experiment thermocouple data. To improve the simulation analysis capabilities in BISON for cladding burst behavior, new thermal creep, plasticity, and failure stress models specific to C26M, a wrought FeCrAl alloy, were developed and implemented. Initial cladding burst results indicated a general underprediction in the failure temperature of the six cladding burst simulations versus the observed failure temperatures. Close investigation of the experiment timing versus the underlying tensile test data revealed that, compared with the tensile specimens, the cladding tubes did not experience the same long holding time at high temperatures. New tensile tests were performed at high temperatures using a temperature ramp similar to the simulated loss-of-coolant accident experiments. These new tensile curves showed an approximately 80% increase in the ultimate tensile strength of the C26M alloy, indicating that a holding time of 10 min at 700 °C and 800 °C allows annealing to change the material microstructure. Using the updated tensile properties, the burst temperatures and stresses from the simulations showed remarkable agreement with the experimental results. This study was then extended by varying the initial pressure to highlight the burst temperature difference between standard Zircaloy-4 and C26M cladding under equivalent conditions. The results show that C26M has a burst temperature that is approximately 70–130 K greater than that of Zircaloy-4. In conclusion, these modeling predictions can be further improved by collecting high-temperature tensile data for C26M beyond the temperature ranges used in this work.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Mapping Structure and Rheology of pH-Responsive Resins for Low-VOC Coatings

In recent years, the paint and coatings industry has shifted away from traditional resin formulations that require high concentrations of volatile organic compounds (VOCs) to achieve the desired rheological performance and sustainability targets. One approach to eliminate or reduce VOCs in paint and coating formulations while maintaining the final performance is to disperse stimuli-responsive polymer latex particles in water. The chemistry and architecture of these particles have been engineered such that the suspension rheology changes in response to the pH changes. The particles can also be swollen with organic solvents to illicit similar rheological changes. To understand how the particle microstructure influences the observed macroscopic properties, we use small-angle neutron scattering and dynamic light scattering to determine that these particles consist of a cross-linked core with long polymer tails that extend into the dispersing medium. Carboxylic acid groups present on the tails deprotonate with increasing pH, and the extension of the polymer chain due to charge repulsion increases the hydrodynamic drag on the particle. Here we find that adjusting the pH alone has a much more significant effect on the shear dependence of the viscosity of the studied resin than adding organic solvent alone. We also find that this resin architecture is more responsive per mole of pH-responsive group than other architectures of pH-responsive latex particles in the literature.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Hierarchical Eutectoid Nano-lamellar Decomposition in an Al 0.3 CoFeNi Complex Concentrated Alloy

This paper reports a novel eutectoid nano-lamellar (FCC + L1 2 )/(BCC + B2) microstructure that has been discovered in a relatively simple Al 0.3 CoFeNi high entropy alloy (HEA) or complex concentrated alloy (CCA). This novel eutectoid nano-lamellar microstructure presumably results from the complex interplay between Al-mediated lattice distortion (due to its larger atomic radius) in a face-centered cubic (FCC) CoFeNi solid solution, and a chemical ordering tendency leading to precipitation of ordered phases such as L1 2 and B2. This eutectoid microstructure is a result of solid-state decomposition of the FCC matrix and therefore distinct from the commonly reported eutectic microstructure in HEAs which results from solidification. This novel nano-lamellar microstructure exhibits a tensile yield strength of 1074 MPa with a reasonable ductility of 8%. The same alloy can be tuned to form a more damage-tolerant FCC + B2 microstructure, retaining high tensile yield stress (~900 MPa) with appreciable tensile ductility (>20%), via annealing at 700 °C. Such tunability of microstructures with dramatically different mechanical properties can be effectively engineered in the same CCA, by exploiting the complex interplay between ordering tendencies and lattice distortion.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Predicting structural material degradation in advanced nuclear reactors with ion irradiation

Swelling associated with the formation and growth of cavities is among the most damaging of radiation-induced degradation modes for structural materials in advanced nuclear reactor concepts. Ion irradiation has emerged as the only practical option to rapidly assess swelling in candidate materials. For decades, researchers have tried to simulate the harsh environment in a nuclear reactor in the laboratory at an accelerated rate. Here we present the first case in which swelling in a candidate alloy irradiated ~ 2 years in a nuclear reactor was replicated using dual ion irradiation in ~ 1 day with precise control over damage rate, helium injection rate, and temperature and utilize physical models to predict the effects of radiation in reactors. The capability to predict and replicate the complex processes surrounding cavity nucleation and growth across many decades of radiation dose rate highlights the potential of accelerated radiation damage experiments. More importantly, it demonstrates the capability to predict the swelling evolution and the possibility to predict other features of the irradiated microstructure evolution that control material property degradation required to accelerate the development of new, radiation-tolerant materials.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Topological surface conduction in Kondo insulator YbB 12

Kondo insulators have recently aroused great interest because they are promising materials that host a topological insulator state caused by the strong electron interactions. Moreover, recent observations of the quantum oscillations in the insulating state of Kondo insulators have come as a great surprise. Here, we investigate the surface electronic state of a prototype Kondo insulator YbB 12 , we measured the transport properties of single crystals and microstructures. In all samples, the temperature dependence of the electrical resistivity is insulating at high temperatures and the resistivity exhibits a plateau at low temperatures. The magnitude of the plateau value decreases with reducing sample thickness, which is quantitatively consistent with the surface electronic conduction in the bulk insulating YbB 12 . Moreover, the magnetoresistance of the microstructures exhibits a weak-antilocalization effect at low field. These results are consistent with the presence of a topologically protected surface state, suggesting that YbB 12 is a candidate material for a topological Kondo insulator. The high field resistivity measurements up to µ 0 H = 50 T of the microstructures provide supporting evidence that the quantum oscillations of the resistivity in YbB 12 occurs in the insulating bulk.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Ultra-High Temperature Thermal Barrier Coating Development and Validation

The most effective method to improve industrial gas turbine power is to increase firing temperature. To maintain component durability at these higher temperatures, thermal barrier coatings (TBC’s) are playing an increasing role in protecting turbine hardware. TBC’s have been successfully used on Solar Turbines’ combustor liners and turbine airfoils, but there is a need for TBC’s that can operate at higher temperatures. Based on recent, favorable rig testing experience, Solar recognized that yttrium aluminum garnet (YAG) TBC’s made by the Solution Precursor Plasma Spray Process (SPPS) has great potential for higher turbine temperatures. This testing verified the thermal cycle durability of the SPPS YAG TBC’s, as well as demonstrated that the temperature drop through the SPPS YAG TBC was twice that measured across a companion APS YSZ TBC. The SPPS YAG TBC with the potential for a 200°C improvement in temperature capability represents a materials breakthrough. The SPPS process also produces a number of unique microstructural features that confer superior properties. SPPC TBC’s have ultra-fine splats that increase toughness and erosion resistance, and the process can be tailored to produce through-thickness cracks for strain-tolerance and control porosity for lower thermal conductivity and increase coating abradability. This proposal would include further development of SPPS YAG density-graded coatings, optimization of the application process, and validation of higher temperature capability and durability through rig and engine testing of coated combustion liners and turbine outer air seals. The technology would be advanced from a TRL 3 to a proposed TRL 6 by overcoming processing concerns on efficiency, application distance and optimization of a graded coating without impacting coating durability by demonstrating the coating performance on components in rig and development gas turbine engine testing.

36 MATERIALS SCIENCE↗