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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

The microscopic mechanisms of high temperature oxidation of Haynes 282

Nickel-based superalloy finds widespread applications in aerospace and extreme environments. They are known for their high temperature oxidation resistance under extended periods. However, the oxide formation and evolution which sets the stages for the later parabolic oxidation kinetics is not fully understood. This paper aims to provide new insights into the transient stage oxidation mechanism and kinetics of a typical Ni-based superalloy (Haynes 282). While tracking the chemical and microstructural evolution under micrometer scale at 800°C, we show that the oxide scale and its grain boundary species change significantly during the initial stages of oxidation and can have a profound impact on the oxidation kinetics. Cr 2 O 3 forms initially at the grain boundary along with minor amount of Al 2 O 3 . Then, the grain boundary region is enriched with copious amounts TiO 2 while Cr migrates away from the grain boundary. A noticeable change in the isothermal oxidation kinetics observed likely results from a mechanistic change from uniform surface oxidation to preferential outward diffusion of Ti 4+ ions through the grain boundary. Through first-principles calculations combined with energy dispersive spectroscopy, we confirmed the preferential outward diffusion of Ti 4+ ions as the diffusion barrier is lower for Ti than Cr along the grain boundaries. In conclusion, these findings highlight the critical role of early-stage grain boundary oxidation dynamics in dictating the long-term oxidation resistance of Ni-based superalloys and provide a foundation for future strategies to enhance their performance in extreme environments.

DFT↗
DOE OSTI2026

Directed energy deposition of Haynes 282 nickel superalloy

Laser powder directed energy deposition was employed to fabricate Haynes® 282 Ni-based superalloy for high temperature creep testing. Material was heat treated using a single-step aging heat treatment of 800 °C for 4 h. Microstructural analysis was conducted in the as-deposited, solution-annealed, and age-hardened conditions. γ′ precipitates were absent in the as-deposited and annealed condition but formed during aging with an average size of 48.5 ± 12 nm. γ’ denuded zones ranging in thickness from 73 to 469 nm were observed adjacent to an effectively continuous grain boundary carbide film that covered 72.5% of the measured boundary length. The heat-treated material contained a high-volume fraction of TiC carbides ranging in size from 38 to 457 nm. Electron backscatter diffraction showed partial recrystallization, with 77-83% recrystallized area and a heterogeneous grain-size distribution. Creep testing at 750 °C at 300, 320, and 350 MPa revealed significantly inferior performance compared to wrought material, with higher strain rates, earlier tertiary onset, and shorter rupture lives. Fractography shows that failure was dominated by intergranular rupture. Post rupture microstructural analysis results suggest that the creep behavior was primarily governed by the non-equilibrium interface network rather than the bulk γ/γ’ matrix. In conclusion, the findings indicate that achieving wrought-like creep performance necessitates substantial improvements in the additive process, specifically focusing on enhanced homogenization, full recrystallization, and precise control over the morphology and distribution of carbides.

36 - MATERIALS SCIENCE↗
DOE OSTI2025

Phase-field predictions of the influence of cooling rates during AM on the Evolution of Microstructures in Nickel-Based Single Crystal Superalloys

Additive manufacturing of single crystals made of Ni-based superalloys offers major cost savings for gas turbine engines with the inclusion of internal cooling channels. However, the lack of understanding of the effect of transient thermal conditions on solidification grain structure during additive manufacturing hinders the potential for process control to maintain the single crystal quality. The use of high-fidelity simulations through high performance computing to predict the evolution of the solidification microstructure will enhance the abilities to tailor the microstructures through process optimization. Phase field simulations are used to determine the effect local thermal conditions and defects on the stability of the solidification morphology, specifically with respect to the onset of columnar-to-equiaxed transition that results in the loss of the single crystal. The results are expected to be instrumental for developing future surrogate models to speed up the integration of design and manufacturing of turbine blades under the harsh in-service conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Microstructural evolution and hardness changes in ion irradiated nickel-based Haynes 282 superalloy

This study investigated the crucial aspects of thermal and irradiation stability in precipitation hardened Haynes 282 Ni-based superalloy. The Haynes 282 Ni-based alloy was irradiated by 8 MeV Ni 3+ ions to assess its resistance to phase instabilities and mechanical property alterations. The mid-range doses (at a depth of ∼1 µm) were 1 and 10 displacements per atom (dpa) at temperatures of 600°C and 750°C. Nanoindentation tests provided insights into bulk equivalent hardness of the irradiated and pristine regions, while scanning transmission electron microscopy (STEM) and energy dispersive X-ray spectroscopy (EDS) were used to examine the microstructural evolution of irradiation-induced defects and γ′ -Ni 3 (Al, Ti) precipitates and defect structure under irradiation. These precipitates, with an average diameter of 29 nm and a number density of 5 x 10 21 /m 3 , acted as robust dispersion strengthening agents with high radiation point defect sink strength. Remarkably, irradiation did not significantly alter the size or number density of the γ′ precipitates, indicating exceptional thermal stability and radiation resistance of these precipitates at the examined conditions. Radiation-induced dislocation loops were observed at 600°C, albeit without a substantial impact on mechanical properties due to the dominance of γ′ precipitates on the overall alloy strength. The superior stability of γ′ precipitates observed in this study contrasts with several previous research findings on Ni-based alloys that reported poor precipitate stability. Plausible reasons for this difference are discussed. Moreover, this work explicitly outlines a physically grounded approach to ensure accurate microstructure-hardness correlations and clarifies the hardening model by addressing common misapplications of superposition in prior studies.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Machine Learning Vacancy Formation Energy in Nickel-Based Superalloys

Thermal vacancies play a critical role in high-temperature Ni-based superalloys and influence various properties such as creep resistance, oxidation, etc. This study systematically investigates the impact of commonly used transition metals (Cr, Co, Fe), refractory metals (Nb, Ta, Mo, W) and other elements (Al, Cu, Ti, Mn) on the thermodynamic stability of 36 binary, 20 ternary, 11 quaternary, 9 quinary, and 3 senary FCC Ni-based alloys covering various elemental combinations. Density functional theory-based studies on Ni-X binary alloys show that higher concentrations of Cr, Nb, Ta, Al, and Ti introduce significant lattice distortions and broaden the distribution of vacancy formation energies (standard deviation up to 0.15 eV). These elements partially donate electrons, reducing their self-consistent chemical potentials relative to single-element reference values and lowering vacancy formation energies, while Co, Fe, Mo, and W show lower charge localization. These trends extend from 3-6 element alloys, where Cr, Nb, and Ta-rich compositions have low-energy states (~0.5 eV) that increase vacancy concentrations. Finally, graph neural network models are developed to screen over 5000 virtual alloys. Eleven leading compositions are identified with mean vacancy formation energy higher than 1.75 eV and vacancy concentration ~2 orders of magnitude lower than pure Ni at 1000 K. These results provide valuable guidelines to achieve controlled defect engineering in structural alloys.

DFT↗
DOE OSTI2026

Predicting the High-Temperature Oxidation Response of Nickel Superalloys Using CALPHAD-Enhanced Machine Learning

Structural materials such as Ni-based superalloys used in high-temperature power cycles are routinely exposed to toxic environments including high temperature and pressure, aqueous and gas corrosion, etc. Here, we present a physics-informed machine learning approach to predict the oxidation response of diverse Ni-superalloys. First, a high-fidelity experimental dataset is curated from typical oxidation mass-change experiments in air, covering 25+ elements and different physical behavior such as parabolic growth, non-parabolic growth, and oxide spallation. Second, the dataset is featurized using thermophysical, chemical, and mechanical properties obtained from high-throughput CALPHAD calculations. Third, several machine learning models are developed to identify key features related to mass-change characteristics and model the mass-change curve for various alloys. Finally, the model is deployed to rapidly screen over a new composition space and down-select candidate alloys with high oxidation resistance for experimental validation.

CALPHAD↗
DOE OSTI2026

High-temperature mechanical properties of a γ′-strengthened Co-based superalloy designed for additive manufacturing

GammaPrint®-700 is a recently developed high γ′ (∼70% volume fraction) CoNi-based superalloy designed to combine high-temperature mechanical performance with laser powder bed fusion processability. Room-temperature yield strength ranged from 610 to 658 MPa and increased to 661 MPa (longitudinal) and 730 MPa (transverse) at 760 °C. The creep behavior compared favorably to high-γ′ Ni-based superalloys manufactured via laser powder bed fusion such as Incoloy® 939 and Inconel® 738LC. In-situ neutron diffraction data measured during creep revealed that plastic deformation was largely localized to the γ phase at 760 °C, allowing the γ’ phase to elastically compensate and maintain creep strain resistance. Furthermore, at 900 °C, this load sharing behavior was weakened, contributing to accelerated creep rate and rupture.

Creep↗
DOE OSTI2026

Computational Design of Interlayers for Thermally Stable Compositionally Graded Coatings on Nickel Alloys

To extend the service life of Ni-based superalloys, refractory metal coatings are often used. However, direct bonding between metals with dissimilar crystal structure promotes brittle intermetallic phase formation. This work presents a computational thermodynamic framework for high throughput design of functionally graded interlayers to suppress deleterious phases that may form at the interlayer. The Thermo-Calc software package was used to screen candidate metallic interlayer elements based on stability of solid-solution phases. Vanadium was identified as a promising interlayer due to its consistent suppression of intermetallic phases. Temperature-dependent phase diagram mapping between 600 and 1000 °C guided selection of a compositional pathway that significantly reduced intermetallic formation compared to directly joining the Ni-based and Nb refractory alloys. Time–temperature–transformation analysis was performed to assess whether equilibrium-predicted phases are kinetically accessible along regions of the graded path where non-solid-solution phases are not fully suppressed. The methodology was further applied to additional Ni-based alloy and coating systems, illustrating its transferability as an approach for rapid computational design of graded interlayers in dissimilar high-temperature materials.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Tensile creep properties of NbTaTi and NbTaTiV refractory complex concentrated alloys

Refractory complex concentrated alloys (RCCAs) have emerged as promising candidates for high-temperature structural applications due to their high melting points and potential for exceptional strength, whereas their creep properties remain relatively underexplored. Here, we investigate the tensile creep behavior of NbTaTi and NbTaTiV in high vacuum to elucidate the influence of alloying on creep mechanisms. NbTaTiV exhibits higher creep resistance than NbTaTi, which is attributed to V-induced edge-dislocation-glide-controlled deformation. Microstructural analysis reveals the formation of Ti- and interstitial impurity-rich secondary phases during creep, which enhances the creep resistance without significant embrittlement. Stress exponents (∼3) and activation energies (∼those for vacancy diffusion) align with thermally activated dislocation glide-controlled creep. Despite NbTaTiV surpassing Ni-based superalloys in yield strength at elevated temperatures, its single-phase BCC structure limits creep resistance under engineering-relevant conditions, highlighting the necessity of deliberate secondary phase design to achieve competitive high-temperature performance.

Complex concentrated alloys↗
DOE OSTI2025

Residual stress distribution in an additively manufactured complex structure by neutron diffraction measurement

Residual stress in an aerodynamically shaped Ni-based superalloy airfoil fabricated by laser powder bed fusion was measured by neutron diffraction. The experiment was conducted by considering the complex shape, implementing computer aided experiment planning, and automatic alignment at each rapid measurement. The 3-dimensional (3D) residual stress distribution in the airfoil is presented in this work, which lacks symmetry due to the complex geometry of the airfoil. In conclusion, the results provide theoretical thermal processing models a complete residual stress dataset of simulation validation on 3D shape complex structure.

Residual stress↗
DOE OSTI2024

Computational design of high-entropy rare earth aluminum garnets for advanced thermal and environmental barrier coatings

To enhance the protection of Ni-based superalloys in gas turbine engines’ high-temperature environments, it’s crucial to develop advanced thermal/environmental barrier coating (T/EBC) materials with a balanced combination of thermal and mechanical properties. This optimization is essential to safeguard against chemical and thermal challenges. Here, in this study, we harness the power of density functional theory (DFT) in conjunction with combinatorial chemistry methodologies to engineer high-performance high-entropy rare earth disilicates of the RE 3 Al 5 O 12 family (where RE denotes Y, Gd, Er, and Yb). These materials are meticulously designed to exhibit superior phase stability, a targeted coefficient of thermal expansion (CTE), low lattice thermal conductivity, and robust mechanical properties. The determination of CTE values is accomplished through phonon calculations at various volume settings within the quasi-harmonic approximation, while lattice thermal conductivities are rigorously assessed employing the Debye-Callaway model, accounting for three distinct phonon processes. Our findings highlight the remarkable attributes of the solid solution (Y 1/4 Gd 1/4 Er 1/4 Yb 1/4 ) 3 Al 5 O 12 , which displays a reduction in lattice thermal conductivity compared to its individual constituents while maintaining a favorable range of CTE values. The novel T/EBC material, distinguished by their multifaceted functionalities, are poised to use in substantial enhancements in the performance of engines.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Understanding Environmental Barrier Coating Lifetimes and Performance for Industrial Gas Turbines

Hydrogen or hydrogen blend fuels are expected to replace natural gas in land-based industrial gas turbines (IGTs) to support a greener power economy. Silicon carbide (SiC) base ceramic matrix composites (CMCs) are considered for replacement of Ni-based superalloys to facilitate future efficiency improvements. SiC CMCs require environmental barrier coatings (EBCs) to mitigate volatilization from high-temperature steam, thus making the EBC lifetime critical information for identifying CMC component lifetimes. Here, the goal of this project is to determine the maximum bond coating temperature underneath the EBC for achieving an IGT component lifetime goal of 25,000 h, which is far greater than current CMC component lifetime requirements for aeroturbine applications. To provide data for the lifetime model, laboratory testing used atmospheric plasma-sprayed rare-earth silicate EBCs on monolithic SiC substrates with an intermediate Si bond coating. Specimens exposed to 1-h thermal cycles in flowing air–steam environments and reaction kinetics were assessed from 700 °C to 1350 °C by measuring the thickness of the thermally grown silica scales. The silica growth and phase transformation appear critical in predicting EBC lifetime and several strategies have been explored to reduce the oxide growth rate and improve EBC durability at elevated temperatures. Advanced characterization using Raman spectroscopy has helped clarify this system.

08 HYDROGEN↗
DOE OSTI2024

Environmental Compatibility Issues for Ni-Based Alloys in Direct-Fired Supercritical CO2 Power Cycles

Direct-fired supercritical CO2 (sCO2) power cycles offer potential for high-efficiency power generation from natural gas and other fossil fuels with built-in carbon capture. Ni-based superalloys are the leading candidates for the hottest portions of these systems, where they must endure long-term exposure to high-temperature, high-pressure, high-velocity, impure CO2-rich environments. Herein we describe results of various experimental testing campaigns conduced at NETL showing that under such conditions, several simultaneously occurring degradation modes may be active including surface oxidation, alloy carburization, and oxide volatilization. It will be shown that the rates of degradation can be strongly affected by the alloy composition, impurities in the CO2, manufacturing method (wrought vs additive), and other factors. The influence of these factors in controlling alloy degradation are discussed in the context of potential compatibility issues for components in real sCO2 systems, such as compact heat exchangers. Finally, as a potential remedial measure, ongoing work involving protective coatings suitable for complex geometries is presented.

alloy oxidation↗
DOE OSTI2024

Using Additive Manufacturing to Repair Gas Turbine Hot Section Components

Ni-based superalloys are used in the hot sections of gas turbine engines due to their excellent high temperature performance. During service the material degrades due to exposure at high temperature and mechanical loads. Hence, utility provides often inspect, service, and repair components in gas turbine engines to ensure safe operation. A major challenge, however, is that the most heat-resistant alloys are generally considered ‘non-weldable’ rendering them difficult to repair via welding operations. In these cases components are often scrapped and then replaced by parts which must be re-manufactured. This burdens utilities with additional cost and supply chain issues can result in long term outages or reduced operating limtis. In this work EPRI and ORNL investigated a proposed repair strategy for gas turbine hot section components. Hot section superalloy GTD-111 was selected as a candidate repair material system and AM material ABD-900 the repair material. Sandwich structures were fabricated via electron beam melting additive manufacturing (EBM-AM) producing tensile bars with gage sections consisting of dissimilar ABD-900 / GTD-111 / ABD-900 material. Metallography revealed that the interface exhibited no deleterious phases or processing defeats. Creep rupture experiments on heat treated material demonstrates that the emulated repair coupons exhibit creep resistance between GTD-111 and ABD-900. This study demonstrates that the proposed EBM-AM repair strategy presents a viable opportunity towards enabling AM repair of gas turbine engine components.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2024

Using Additive Manufacturing to Repair Gas Turbine Hot Section Components

Ni-based superalloys are used in the hot sections of gas turbine engines due to their excellent high temperature performance. During service the material degrades due to exposure at high temperature and mechanical loads. Hence, utility provides often inspect, service, and repair components in gas turbine engines to ensure safe operation. A major challenge, however, is that the most heat-resistant alloys are generally considered ‘non-weldable’ rendering them difficult to repair via welding operations. In these cases components are often scrapped and then replaced by parts which must be re-manufactured. This burdens utilities with additional cost and supply chain issues can result in long term outages or reduced operating limits. In this work EPRI and ORNL investigated a proposed repair strategy for gas turbine hot section components. Hot section superalloy GTD-111 was selected as a candidate repair material system and AM material ABD-900 the repair material. Sandwich structures were fabricated via electron beam melting additive manufacturing (EBM-AM) producing tensile bars with gage sections consisting of dissimilar ABD-900 / GTD-111 / ABD-900 material. Metallography revealed that the interface exhibited no deleterious phases or processing defeats. Creep rupture experiments on heat treated material demonstrates that the emulated repair coupons exhibit creep resistance between GTD-111 and ABD-900. This study demonstrates that the proposed EBM-AM repair strategy presents a viable opportunity towards enabling AM repair of gas turbine engine components.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Computational materials reliability assessment of hydrogen fueled gas turbine power generation engines

The use of blended fuel sources in land based gas turbine engines drives variations in the resulting operational profile (temperatures and pressures) which can impact engine reliability. Furthermore, variability in the manufacture of components affects the resulting microstructure which directly impacts material performance and reliability. Currently, data-driven models are typically used for maintaining and inspecting fleets of engines. Without explicitly capturing material and operational sources of variability conservatism must be used in developing component-level reliability models. Therefore, there exists an opportunity to use information from materials-scale physics models to better inform reliability modeling and reduce conservatism; the impact is more cost-efficient operation and maintenance of current and future fleets. Specifically, this work establishes a computational framework for evaluating the probabilistic high temperature creep performance of hot-section Ni-based superalloys where uncertainty comes from both microstructural and operational variability. A novel high-fidelity physics model which phenomenologically captures grain-boundary sensitive phenomena has been established. A probabilistic calibration procedure was used to calibrate the model and capture uncertainty in the parameterized model coefficients. A design of experiments methodology was established for identifying informative microstructural digital representations for suitable for forward model evaluation. Results show that training a machine-learning surrogate using this design criteria outperforms random selection of microstructural representations. Finally, two surrogate models were developed: (1) a deterministic surrogate model which predicts the local field response given microstructure, constitutive model parameters, and operating conditions (stress, temperature) and (2) a probabilistic model, where uncertainty comes from constitutive law uncertainty, built using denoising diffusion probabilistic models which samples responses given (1) microstructure and (2) operating conditions. These surrogate models enable partner Siemens Energy to rapidly perform UQ analysis specific to creep deformation across a range of microstructures and operating conditions. The impact is that these ML and physics codes can be used to establish more advanced reliability models for the inspection, servicing, and maintenance of land based gas turbine engines.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Use of Modeling and Experiments to Assess the Effect of Minor Alloying Additions on Alumina Scale Formation during High-Temperature Oxidation

During the last decades, new generations of Ni-based superalloys have emerged with judiciously controlled chemistries. These alloys heavily rely on the addition of refractory elements to enhance their mechanical properties at elevated temperatures; however, a clear interpretation of the influence of these minor-element additions on the alloy's high-temperature oxidation behavior is still not well understood, particularly from the standpoint of predicting the transition from internal to external alumina formation. In this context, the present investigation describes a systematic study that addresses the intrinsic effects that minor element additions of Nb, Ta, and Re have on the oxidation behavior of alumina-scale forming γ-Ni alloys. By combining a novel simulation approach with high-temperature oxidation experiments, the present study evidences the generally positive effect associated with 2 at. % addition of Ta and Re as well as the detrimental consequences of Nb additions on the 1100 °C oxidation of (in at. %) Ni-6Al-(0,4,6,8)Cr alloys.

Rodriguez, Rafael↗
DOE OSTI2025

Final report on assessment of molten salt corrosion testing of unirradiated and ion irradiated advanced manufactured high entropy alloys

Generation IV reactors and future fusion reactor designs have led to more demanding materials performance requirements due to their increased operating temperatures, corrosive coolants, and increased radiation doses compared to the current light-water reactor fleet. Among the innovative nuclear technologies under development, molten salt reactors stand out for their potential to offer superior fuel utilization, intrinsic safety characteristics, and economic viability. Of the proposed Generation IV designs, the gas fast reactor operates at 450 to 850°C and the molten salt reactor operates at 565 to 850°C, with the molten salt reactor design needing molten salt corrosion resistant materials [1, 2]. These increased temperatures and more extreme corrosion environments necessitate higher material performance, such as creep strength, radiation-tolerant microstructures, corrosion resistance, and high-temperature tensile properties. Hastelloy-N, a nickel-based alloy with additions of molybdenum and chromium, has been successfully employed to contain molten fluoride salt at temperatures up to 705°C. However, Hastelloy-N becomes embrittled upon neutron irradiation, primarily due to the accumulation of helium produced by (n,a) transmutation reactions. Furthermore, the corrosive nature of molten fluoride and chloride salts presents a formidable challenge, as these salts can react with and dissolve alloying elements such as Cr, Mo, and Fe, leading to selective leaching, loss of protective oxide layers, and accelerated degradation. High entropy alloys (HEAs) and refractory high entropy alloys (RHEAs) have emerged as a prominent area of interest, due to their ability to achieve tailored chemical compositions for specific applications. Unlike conventional alloys, HEAs are characterized by having multiple principal elements in equimolar or near equimolar ratios, leading to an unconventional alloying strategy [3]. This alloying strategy is believed to promote unique properties, such as single-phase stabilization of chemically compatible elements, lattice distortion effects due to atomic radius differences, and proposed sluggish diffusion effects. For extreme-environment applications, RHEAs have garnered much research interest because of the possibility of creating relatively ductile materials that can operate in extremely high-temperature environments, beyond the operating temperatures where other Ni-based superalloys begin to lose strength [4-6]. Idaho National Laboratory (INL) initiated a joint international effort with the Czech Republic to explore the feasibility of manufacturing HEAs for high-temperature nuclear applications using advanced manufacturing. This effort was funded at INL by the United States Department of Energy's Office of Nuclear Energy under the Advanced Reactor Technologies and Advanced Materials and Manufacturing Technologies (AMMT) Program. The HEAs were specifically designed for the corrosive and irradiation environments experienced in gas-cooled fast reactors, molten salt reactors, and fusion power. These alloys have been manufactured by multiple processes to determine the impact of manufacturing processes on the performance of the alloys in corrosive and irradiation environments. Preliminary molten salt corrosion testing showed that equimolar MoNbTiV and MoNbTi alloys exhibit exceptional performance, with arc-melted variants demonstrating only minimal degradation after 1000 hours of exposure to molten chloride salt at 700°C. Conversely, Nb2TiVZr2 showed significant molten salt corrosion susceptibility and microstructural instability during high-temperature molten salt exposures, and was, therefore deemed unfit for molten salt reactor applications. The MoNbTiV, MoNbTi, and Nb2TiVZr2 alloys were further evaluated through ion irradiation experiments conducted at the Michigan Ion Beam Laboratory at the University of Michigan. The microstructural stability and the evolution of irradiation-induced defects were characterized to assess the irradiation resistance of each of these alloys.

36 - MATERIALS SCIENCE↗