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DOE OSTI2024

Microphysics of shock-grain interaction for inertial confinement fusion ablators in a fluid approach

Ablator materials used for inertial confinement fusion, such as high-density carbon (HDC) and beryllium, have grain structure which may lead to small-scale density nonuniformity and the generation of perturbations when the materials are shocked and compressed. Here, we use a combination of a linear theory of shock interaction with density nonuniformity [Velikovich et al., Phys. Plasmas 14, 072706 (2007)] and numerical simulations to study shock interaction with a model representation of HDC grains. While the shock-grain interaction is nonlinear, the linear theory shows some key features of the shock-grain interaction, which also hold for the (nonlinear) simulations. The postshock perturbations are made up of sonic reflections off of grain boundaries and vorticity deposition along them, with the latter dominating the perturbed energy content. The mean (per mass) postshock perturbed kinetic energy decreases with increasing grain size, but energy will be deposited at increasing spatial scale. From the perspective of the postshock perturbed energy, the detailed linear theory largely supports a proposed method [S. Davidovits et al., Phys. Plasmas 29, 112708 (2022)] for deresolving the grains (in a similar grains model) that treats the grains statistically. Finally, our simulation results highlight the influence of thermal conduction on the perturbation dynamics at grain scales.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2026

The Influence of Shielding Gas on the Wire-Arc Additive Manufacturing (WAAM) of Ni-Based Superalloy Haynes 282

Wire-arc additive manufacturing (WAAM) enables building large near-net-shaped parts using fast deposition rates and is attractive due to the potential cost and schedule savings. Haynes® 282® is a Ni-based superalloy with wide application in advanced power generation systems for its superior high temperature mechanical properties. High-quality WAAM H282 parts are achieved through careful process optimization, hence, we have focused on systematically characterizing the processing-structure-properties relationships over a wide range of wire-feed and travel speeds using a standard Ar30He shielding gas. Here the influence of adding 0.25-3% of H2 and CO2 to Ar-30He standard on our findings is examined. Multi-bead tracks were used to screen 20+ gas combinations to examine impact on wettability, porosity, oxidation, and grain structures. Improved multi-tracks are observed for gases with up to 1% H2 and 0.25% CO2. WAAM H282 builds within this range are examined to reveal differences in microstructure as evaluated with CT, SEM-EDS, and EBSD.

36 MATERIALS SCIENCE↗

NASA NTRS1985

Development of powder metallurgy 2XXX series Al alloy plate and sheet materials for high temperature aircraft structural applications, FY 1983/1984

The objective of this investigation is to fabricate and evaluate PM 2124 Al alloy plate and sheet materials according to NASA program goals for damage tolerance and fatigue resistance. Previous research has indicated the outstanding strength-toughness relationship available with PM 2124 Al-Zr modified alloy compositions in extruded product forms. The range of processing conditions was explored in the fabrication of plate and sheet gage materials, as well as the resultant mechanical and metallurgical properties. The PM composition based on Al-3.70 Cu-1.85 Mg-0.20 Mn with 0.60 wt. pct. Zr was selected. Flat rolled material consisting of 0.250 in. thick plate was fabricated using selected thermal mechanical treatments (TMT). The schedule of TMT operations was designed to yield the extreme conditions of grain structure normally encountered in the fabrication of flat rolled products, specifically recrystallized and unrecrystallized. The PM Al alloy plate and sheet materials exhibited improved strength properties at thin gages compared to IM Al alloys, as a consequence of their enhanced ability to inhibit recrystallization and grain growth. In addition, the PM 2124 Al alloys offer much better combinations of strength and toughnessover equivalent IM Al. The alloy microstructures were examined by optical metallographic texture techniques in order to establish the metallurgical basis for these significant property improvements.

Chellman, D. J.↗

DOE OSTI2023

Understanding process-microstructure-property relationships in laser powder bed fusion of non-spherical Ti-6Al-4V powder

Powder feedstock is a major cost driver in metal additive manufacturing (AM). Replacing the spherical powder with the cost-efficient non-spherical one can reduce the feedstock cost up to 50% and attract more interest to adopt AM in production and new alloy development. Here, for this paper, a comprehensive study was conducted to understand process-microstructure-property relationships in laser powder bed fusion of hydride-dehydride Ti-6Al-4V powder. We demonstrated that variation of laser scan speed had a significant impact on the grain structure, pore evolution and properties compared to laser power. Dynamic X-ray radiography showed that with decreasing scan speed at a constant laser power, a transition from conduction to keyhole mode laser processing occurred, in which a deeper melt pool at lower scan speed intensified texture. In other words, an increase in laser scan speed resulted in formation of the refined prior β grains with shape factor of ~5, lowering the anisotropy. Furthermore, the degree of variant selection was evaluated based on the analyzed texture as a function of laser power and scan speed. With increasing laser scan speed, the dominant α/α boundary type was altered from type 2 to 4 and the degree of variant selection was noticeably decreased. On the other hand, increasing laser power left the morphology of prior β grains, their size, and the dominant α/α boundary (type 4) unchanged, while the texture and anisotropy were intensified, and the degree of variant selection was slightly decreased. Finally, dependency of surface roughness and microhardness were discussed as a function of laser processing parameters.

variant selection↗

NASA NTRS1975

Investigation of smooth specimen scc test procedures; variations in environment, specimen size, stressing frame, and stress state

The variables studied in the stress-corrosion cracking performance of high strength aluminum alloys were: (1) corrosiveness of the environment, (2) specimen size and stiffness of the stressing system, (3) interpretation of transgranular cracking, and (4) interaction of the state of stress and specimen orientation in a product with an anisotropic grain structure. It was shown that the probability of failure and time to fracture for a specimen loaded in direct tension are influenced by corrosion pattern, the stressing assembly stiffness, and the notch tensile strength of the alloy. Results demonstrate that the combination of a normal tension stress and a shear stress acting on the plane of maximum susceptibility in a product with a highly directional grain cause the greatest tendency for stress-corrosion cracking.

Lifka, B. W.↗

NASA NTRS2002

Dual Microstructure Heat Treatment of a Nickel-Base Disk Alloy Assessed

Gas turbine engines for future subsonic aircraft will require nickel-base disk alloys that can be used at temperatures in excess of 1300 F. Smaller turbine engines, with higher rotational speeds, also require disk alloys with high strength. To address these challenges, NASA funded a series of disk programs in the 1990's. Under these initiatives, Honeywell and Allison focused their attention on Alloy 10, a high-strength, nickel-base disk alloy developed by Honeywell for application in the small turbine engines used in regional jet aircraft. Since tensile, creep, and fatigue properties are strongly influenced by alloy grain size, the effect of heat treatment on grain size and the attendant properties were studied in detail. It was observed that a fine grain microstructure offered the best tensile and fatigue properties, whereas a coarse grain microstructure offered the best creep resistance at high temperatures. Therefore, a disk with a dual microstructure, consisting of a fine-grained bore and a coarse-grained rim, should have a high potential for optimal performance. Under NASA's Ultra-Safe Propulsion Project and Ultra-Efficient Engine Technology (UEET) Program, a disk program was initiated at the NASA Glenn Research Center to assess the feasibility of using Alloy 10 to produce a dual-microstructure disk. The objectives of this program were twofold. First, existing dual-microstructure heat treatment (DMHT) technology would be applied and refined as necessary for Alloy 10 to yield the desired grain structure in full-scale forgings appropriate for use in regional gas turbine engines. Second, key mechanical properties from the bore and rim of a DMHT Alloy 10 disk would be measured and compared with conventional heat treatments to assess the benefits of DMHT technology. At Wyman Gordon and Honeywell, an active-cooling DMHT process was used to convert four full-scale Alloy 10 disks to a dual-grain microstructure. The resulting microstructures are illustrated in the photomicrographs. The fine grain size in the bore can be contrasted with the coarse grain size in the rim. Testing (at NASA Glenn) of coupons machined from these disks showed that the DMHT approach did indeed produce a high-strength, fatigue resistant bore and a creep-resistant rim. This combination of properties was previously unobtainable using conventional heat treatments, which produced disks with a uniform grain size. Future plans are in place to spin test a DMHT disk under the Ultra Safe Propulsion Project to assess the viability of this technology at the component level. This testing will include measurements of disk growth at a high temperature as well as the determination of burst speed at an intermediate temperature.

Gayda, John↗

NASA NTRSDate not supplied

Geometric Requirements for Modeling Polycrystalline Representative Volume Elements Using the Generalized Method of Cells

To accurately predict the mechanical response of advanced metallic parts, the grain structure of the metal must be considered and coupled to the macroscale in a multiscale model. The size of the microscale representative volume element must be sufficiently large, and the grid used to discretize the microscale must be adequately refined, in order to ensure an accurate and converged solution. The generalized method of cells is used to predict the mechanical properties of polycrystalline representative volume elements of copper containing randomly oriented grains with the properties of a single face-centered-cubic crystal. Moreover, the results of a parametric study are used to conclude the geometric requirements for an objective microscale model, with respect to the elastic stiffness.

Multiscale Modeling↗

DOE OSTI2025

Microstructural Evolution of Steel During Magnetic Field-Assisted Processing

Advancing magnetic field-assisted processing, as an energy-efficient method for tailoring steel microstructures, requires a thorough understanding of how the high magnetic field impacts microstructural evolution, particularly its effect on prior austenite grain structures. The current investigation of a near-eutectoid composition, Fe-C alloy, uses electron backscatter diffraction to examine the morphology and orientation of martensite and pearlite microstructures, and to reconstruct the parent austenite microstructures present during equivalent heating under varied magnetic field strengths (0-T, 2-T, 5-T, and 9-T). It was observed that the magnetic field has a negligible effect on martensite lath/block width, slightly decreases prior austenite grain size, and increases the fraction of austenite grains with annealing twins. Additionally, the magnetic field increases the phase fraction of proeutectoid ferrite but has a negligible effect on pearlite block size and the distribution of boundary misorientation angles. No preferred texture was induced by the magnetic field, regardless of the applied field direction, in the proeutectoid ferrite phase or the martensite and prior austenite microstructures. Furthermore, the observed results contradict previous literature, and the differences are discussed.

Magnetic Materials↗

NASA NTRS2000

Microstructural and Mechanical Property Characterization of Shear Formed Aerospace Aluminum Alloys

Advanced manufacturing processes such as near-net-shape forming can reduce production costs and increase the reliability of launch vehicle and airframe structural components through the reduction of material scrap and part count and the minimization of joints. The current research is an investigation of the processing-microstructure-property relationships for shear formed cylinders of the Al-Cu-Li-Mg-Ag alloy 2195 for space applications and the Al-Cu-Mg-Ag alloy C415 for airframe applications. Cylinders which had undergone various amounts of shear-forming strain were studied to correlate the grain structure, texture, and mechanical properties developed during and after shear forming.

Troeger, Lillianne P.↗

DOE OSTI2023

Additive manufacturing of nickel-based superalloys: A state-of-the-art review on process-structure-defect-property relationship

Fusion-based additive manufacturing (AM) has significantly grown to fabricate Nickel-based superalloys with design freedom across multiple length scales. Several phenomena such as feedstock/energy source/melt pool interactions, solidification and phase transformations occur during fusion-based AM processes of Nickel-based superalloys, which determine the ultimate microstructure and mechanical performance of the built parts. In this review, here we elaborate a comprehensive discussion on AM Nickel-based superalloys and influential factors including feedstock characteristics (powder morphology, chemistry, contamination, flowability, recycling) and AM processing (parameters, and powder spreading/wall/balling/spattering effects) on their microstructure (micro-segregation, phases formations and grain structures), defect generation (sub-surface/internal defects, microcracks, surface roughness, and residual stress). Furthermore, the mechanical properties of AM Nickel-based superalloys such as tensile, creep and fatigue at room/elevated temperatures are analyzed in accordance with the initial, and post processing effects. Additionally, the commonly utilized modeling approaches in literature to predict the microstructure and mechanical behavior of these alloys are highlighted. Finally, the current challenges and mitigation approaches for future research are identified considering the gaps in the AM Nickel-based superalloys.

36 MATERIALS SCIENCE↗

DOE OSTI2026

TEM Approaches for Microstructure-Informed Prediction of Mechanical Properties in Structural Alloys

Predicting the mechanical performance of structural alloys from their evolving microstructure remains a major challenge in materials science, particularly for nuclear structural materials, where irradiation-induced defects span multiple types and length scales and interact through complex mechanisms. The dispersed barrier hardening (DBH) [1] and Friedel–Kroupa–Hirsch (FKH) [2,3] models have been widely used to evaluate the hardening contributions of individual obstacles and to estimate tensile strength from quantified microstructures; however, when multiple size-dependent obstacles coexist and evolve, predicting temperature-dependent tensile strength becomes significantly more complex, and a fully consistent hardening model is still lacking. Transmission electron microscopy (TEM) plays a central role in refining hardening models and enabling predictive assessments of tensile strength evolution by providing quantitative characterization of dislocations, irradiation-induced defects (e.g., dislocation loops and cavities), precipitates, and grain structure (Fig. 1.). These experimentally measured defect densities are incorporated into physically based hardening models with size- and shape- dependent obstacle strengths [4], using root-sum-square superposition for obstacles of comparable strength and linear superposition for dissimilar ones [5]. In addition, recent advances in TEM [6-8], including high-resolution imaging, 4D-STEM strain mapping, EDS/EELS elemental analysis, and flash-polishing-based TEM specimen preparation and extraction-replica methods (Fig. 2), further improve the accuracy of microstructural quantification. By comparison with prior studies as well as our own results, we show that when TEM-derived microstructural information is carefully integrated with physically grounded hardening models, yield strength (or irradiation-induced hardening) measured at room temperature can be predicted with good quantitative agreement across multiple alloy classes. In-situ TEM combined with high-temperature mechanical testing represents an important next step for refining hardening models by directly probing dislocation–obstacle interactions across varying irradiation doses and temperatures [9]. Because the barrier strength factor (α) depends on both temperature and obstacle size, it should not be treated as a constant fitting parameter; rather, it must be explicitly evaluated to achieve physically meaningful predictions of mechanical behaviour at operating temperatures. This presentation therefore discusses why all strengthening contributions (e.g., Peierls stress, solid-solution strengthening, voids, bubbles, dislocation loops, dislocation lines, and grain boundaries) must be considered collectively, why appropriate superposition methods are essential when obstacles possess different barrier strength factors, how hardness measurements can be meaningfully related to tensile properties, and how TEM-derived microstructural information can be systematically incorporated into hardening models. More broadly, it outlines a pathway toward microstructure-informed prediction of mechanical properties and supports the goal of establishing science-based tools for evaluating structural materials in extreme environments [10].

Lin, Yan-Ru [ORNL] (ORCID:0000000339991473)↗

DOE OSTI2023

Achieving High Strength and Creep Resistance in Inconel 740H Superalloy through Wire-Arc Additive Manufacturing and Thermodynamic-Guided Heat Treatment

Inconel 740H superalloy is commonly used in advanced ultra-supercritical power plants since it possesses excellent strength and creep resistance. This study investigates the microstructure and mechanical properties of Inconel 740H superalloy fabricated using wire-arc additive manufacturing. The as-printed microstructure consisted of columnar γ grains with the Laves phase and (Nb, Ti)C carbides as secondary phases. The anisotropy in grain structure increased from the bottom to the top regions, while the hardness was highest in the middle portion of the build. To guide the post-heat treatment design, thermodynamic and kinetic simulations were employed to predict the temperature and time. Complete recrystallization with the Laves phase dissolution occurred throughout the build after homogenization at 1200 °C for 2 h. The peak hardness was achieved after aging at 760 °C for 12 h with the M 23 C 6 carbides decorating the grain boundaries and γ’ precipitates in the grain interior. The yield strength (655 MPa) and ductility (29.5%) in the post-heat treated condition exceeded the design targets (620 MPa, 20%). Stress rupture tests at 750 °C showed that the high-temperature performance was at par with the wrought counterparts. The fracture mode after rupture was identified to be intergranular with the presence of grain boundary cavities along with grain boundary sliding.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Transient behavior of oxide fuels with controlled microstructure and Cr2O3 additive

Abstract Microstructure and Cr 2 O 3 doping profoundly impact the thermal-mechanical properties and fracture of oxides fuels. It is a challenge to study the transient behavior of nuclear fuels under loss-of-coolant-event (LOCA). In this study, the crack behavior of UO 2 pellets with controlled grain structure and Cr 2 O 3 doping was tested with rapid power ramping (300−900 °C per min) mimicking a prototypical LOCA heating profile. Dense micron-sized UO 2 pellets display well-maintained integrity without cracking with the ramping up to 1500 °C at a heating rate of 8 °C per second. Fracture occurs in both pure and Cr 2 O 3 -doped dense nano-sized UO 2 pellets. The Cr 2 O 3 doped oxide fuel pellet with a larger grain size (~ 22.2 μm) displays the best performance under LOCA testing due to its highest thermal conductivity under high temperature. FEA calculations suggest a temperature gradient across the fuel pellet during transient testing, resulting in residual stress and cracking, which can be correlated with their thermal-mechanical properties.

Zhao, Dong (ORCID:0000000191377257)↗

DOE OSTI2025

Synthesis and characterization of electron beam irradiation-induced damage in polycrystalline metal thin films

High-energy physics research, industrial sterilizing, and material processing depend extensively on electron beam accelerators. Exit windows are crucial components of such electron accelerator systems, maintaining vacuum integrity inside the machine while providing mechanical strength, thermal stability, and radiation resistance at the beam-target interface. In this study, thin metallic films of Ni, Ti, Cr, and V were explored for use in electron beam exit windows, and their properties were compared with the properties of their bulk counterparts. Simulation results of metal foils predicted Ti to exhibit less beam power dissipation compared to Ni. However, Ni possesses superior mechanical and structural properties compared to Ti. The performance of these films under electron beam irradiation was examined by depositing thin layers of these films on silicon and metallic substrates using magnetron sputtering and exposing them to e-beam irradiation in a controlled setup. The deposited films were subjected to a dose of approximately 66 kGy at a beam energy of 10 MeV and characterized prior to and postexposure to the beam using field emission scanning electron microscopy, atomic force microscopy, x-ray diffraction (XRD), and nanoindentation. Particular emphasis was given to characteristics like the grain structure, surface morphology, dislocation density, and hardness. XRD patterns revealed irradiation-induced changes in peak intensities, while the crystallinity remained largely unchanged. Nanoindentation results showed that the pristine and irradiated Ti and Ni films were twice as hard when compared to bulk Ti and Ni samples, regardless of the substrate type used (Si or bulk Ti, or Ni). These results emphasize the superior mechanical properties of thin metal films compared to their bulk counterparts. In conclusion, this study advances the optimization of thin film materials for robust and efficient e-beam applications, ensuring improved durability and operational reliability.

AFM↗

NASA NTRS2018

Laser Ablation Surface Treatment of Structural Aerospace Composites and Metal Alloys for Adhesive Bonding

NASA Langley Research Center (LaRC) has been involved over the past decade in the development of laser ablation as a method to surface treat aerospace structural fiber reinforced composites (CFRPs) and metal alloys. [1- 18] Laser surface treatment has been shown to be a rapid, high precision, and reproducible method for surface treatment of these materials, and is amenable to automation. The laser ablation process removes surface contamination such as silicones, creates surface roughness, and chemically activates a surface for bonding. The degree of ablation is controllable by adjusting laser parameters. In the case of CFRPs, ablation can be performed without damage to any underlying carbon fibers. In the case of metal alloys, ablation is possible without surface embrittlement, heat damage or creation of undesirable grain structures or morphologies. The optimum laser treatment conditions are substrate dependent and generally are influenced by laser wavelength and pulse duration (typically fixed for a laser system), and laser power. In the case of metal alloys such as Ti-6Al-4V, the laser ablation process eliminates the need for several steps of the conventional processes, including hydrofluoric (HF) acid and caustic treatment. These steps are often conducted in dip tanks and require costly facilities and environmentally unfriendly liquids. In addition, the laser can create nano-porosity on the Ti-6Al-4V alloy surface allowing for sol-gel penetration and thereby creating a gradient interface with improved temperature and mechanical performance. NASA LaRC has also been involved with the development of in-line characterization methods compatible with the laser treatment process to rapidly determine the presence of key contaminates such as silicones that, even at very low concentrations, are a threat to adhesive bonding. A spectroscopic technique called micro-laser induced breakdown spectroscopy (u-LIBS) has been developed to rapidly detect silicones at concentrations below those known to cause bonding problems. This technique requires no sample preparation, vacuum or inert atmosphere, has no practical size limitations, and provides nearly instantaneous feedback to the operator. This presentation will give an overview and update of these developments with specific examples highlighted.

Connell, John W.↗

DOE OSTI2021

Atomistic and mesoscale simulations to determine effective diffusion coefficient of fission products in SiC

The silicon carbide (SiC) layer in tristructural isotropic (TRISO) particles serves as the barrier to prevent escape of fission products produced in the fuel kernel. Knowing the diffusion coefficient of fission products through SiC is critical to determining whether fission gas can escape from the particle. It has been observed in experiments that Ag accumulated in grain boundaries and triple junctions in SiC. It is hypothesized that grain boundary diffusion is the primary pathway by which fission products penetrate the SiC layer. In this report, the effective diffusion coefficient of the fission product Ag through the grain boundary network is calculated using a combination of atomistic and phase-field methods. The grain boundary diffusion coefficient is calculated using molecular dynamics simulations. The bulk diffusion coefficient is determined using a combination of density functional theory and nudged elastic band methods. An effective diffusion coefficient is calculated, accounting for the grain structure using a phase-field method. The effective diffusion coefficient will be incorporated into Bison and fission product release calculations are compared to available experimental data.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2023

Coherent Random Lasing in Subwavelength Quasi‐2D Perovskites

Abstract Quasi‐2D lead halide perovskites have garnered increasing interest as lasing gain media. Relatively simple fabrication, high refractive index, and unique quantum well structure encourage their use in traditional cavity lasers and cavity‐free systems called random lasers (RLs). Despite tremendous advances reported thus far, coherent random lasing in quasi‐2D perovskite subwavelength films has not been reported. Consequently, coherent optical feedback mechanisms in quasi‐2D perovskite systems are still unexplored. Here, this work reports the observation of coherent random lasing in subwavelength quasi‐2D perovskite films. Statistical analysis of spectral measurements reveals Lévy‐like intensity fluctuations, replica symmetry breaking confirms random lasing, and the coherent modes are studied with spectral and spatial correlation techniques. The observed coherent lasing modes are found to be extended states that arise from the random crystal grain structure during fabrication and span the entire pump volume. These modes out‐compete diffusive lasing due to their coherence.

47 OTHER INSTRUMENTATION↗

DOE OSTI2020

Grand potential sintering simulations of doped UO 2 accident-tolerant fuel concepts

Chromium-doped UO is a widely-studied near-term deployable accident-tolerant fuel concept because it results in a dense, large-grain structure that increases the fuel resistance to densification, swelling, and fission gas release. A new charged-interstitial mechanism was recently proposed to describe the behavior of dopants like chromium in sintered UO 2 . Based on that mechanism, manganese was suggested as an even stronger dopant than chromium. In the current work we use mesoscale sintering simulations in an effort to validate the new mechanism. We compare the relative behavior of Cr-doped and undoped UO 2 against experimental data in the literature. We also make predictions of the relative behavior of Mn-doped UO 2 . Simulations are done using the phase field-based grand potential sintering model. Dopants have two effects on sintered UO 2 . They marginally increase the densification rate and greatly increase the average grain size. Both of these effects are individually tested in small-scale simulations. Then large 3D sintering simulations are used to test the combined behavior of both effects. The results for the densification rate simulations are consistent with experiments for Cr-doped fuels. However, we note the grain growth rates are lower than what is found in the literature for Cr-doped fuels.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗