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NASA NTRS2011

Physics-Based Design Tools for Lightweight Ceramic Composite Turbine Components with Durable Microstructures

Under the Supersonics Project of the NASA Fundamental Aeronautics Program, modeling and experimental efforts are underway to develop generic physics-based tools to better implement lightweight ceramic matrix composites into supersonic engine components and to assure sufficient durability for these components in the engine environment. These activities, which have a crosscutting aspect for other areas of the Fundamental Aero program, are focusing primarily on improving the multi-directional design strength and rupture strength of high-performance SiC/SiC composites by advanced fiber architecture design. This presentation discusses progress in tool development with particular focus on the use of 2.5D-woven architectures and state-of-the-art constituents for a generic un-cooled SiC/SiC low-pressure turbine blade.

DiCarlo, James A.↗

NASA NTRS2001

Disk Alloy Development

The advanced powder metallurgy disk alloy ME3 was designed using statistical screening and optimization of composition and processing variables in the NASA HSR/EPM disk program to have extended durability at 1150 to 1250 "Fin large disks. Scaled-up disks of this alloy were produced at the conclusion of this program to demonstrate these properties in realistic disk shapes. The objective of the UEET disk program was to assess the mechanical properties of these ME3 disks as functions of temperature, in order to estimate the maximum temperature capabilities of this advanced alloy. Scaled-up disks processed in the HSR/EPM Compressor / Turbine Disk program were sectioned, machined into specimens, and tested in tensile, creep, fatigue, and fatigue crack growth tests by NASA Glenn Research Center, in cooperation with General Electric Engine Company and Pratt & Whitney Aircraft Engines. Additional sub-scale disks and blanks were processed and tested to explore the effects of several processing variations on mechanical properties. Scaled-up disks of an advanced regional disk alloy, Alloy 10, were used to evaluate dual microstructure heat treatments. This allowed demonstration of an improved balance of properties in disks with higher strength and fatigue resistance in the bores and higher creep and dwell fatigue crack growth resistance in the rims. Results indicate the baseline ME3 alloy and process has 1300 to 1350 O F temperature capabilities, dependent on detailed disk and engine design property requirements. Chemistry and process enhancements show promise for further increasing temperature capabilities.

Gabb, Tim↗

DOE OSTI2025

Micropolar deep material network

This study extends the Deep Material Network (DMN), a physics-informed machine learning framework, to predict the homogenized mechanical response of composite materials with micropolar (Cosserat-type) constitutive behavior. This extension incorporates microstructure-dependent size effects, enabling accurate, efficient, and size-aware predictions for composites with complex internal architectures. While traditional, direct numerical simulation micropolar models effectively capture size effects by introducing extra local degrees of freedom, they bring significant computational challenges, particularly for multiscale analyses relevant to engineering applications. The micropolar DMN developed in this paper achieves high accuracy while significantly reducing computation time compared to micropolar direct numerical simulations. This advancement enables multiscale analyses and parameter studies that were previously impractical, such as high-cycle fatigue simulations and comprehensive investigations of internal length scale effects notably in size-dependent plastic response and the optimization of lattice structures. By uniting microstructure-sensitive modeling, physics-driven learning, and scalable surrogate modeling, the micropolar DMN paves the way for accelerated material design, large-scale parametric studies, and the reliable incorporation of size-dependent effects across a wide range of engineering applications, including optimization and next-generation composite design.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Atomically Revealing Bulk Point Defect Dynamics in Hydrogen‐Driven γ‐Fe 2 O 3 → Fe 3 O 4 → FeO Transformation

Understanding how point defects in the bulk govern redox transformations is essential for advancing hydrogen-based metal production and designing high-performance oxide materials. This study reveals the atomic-scale mechanisms driving hydrogen-induced reduction of γ-Fe 2 O 3 to Fe 3 O 4 , focusing on how bulk vacancy dynamics dictate structural evolution and reaction kinetics. A key finding is the pronounced contrast in defect behavior between the two oxides: in γ-Fe 2 O 3 , intrinsic Fe vacancies promote oxygen vacancy clustering, destabilizing the local lattice and driving nanopore formation. In contrast, Fe 3 O 4 exhibits a higher oxygen vacancy formation energy and lacks intrinsic Fe vacancies, suppressing vacancy aggregation and maintaining a dense, pore-free structure. This divergence governs distinct reduction pathways—γ-Fe 2 O 3 undergoes an interface-reaction-limited transformation confined to the γ-Fe 2 O 3 /Fe 3 O 4 boundary, while Fe 3 O 4 supports a uniform increase in oxygen vacancy concentration, enabling bulk-phase reduction to lower-oxide FeO. Integrated in situ electron microscopy and density functional theory modeling uncover a vacancy-mediated mechanism, where synergistic cation-anion vacancy dynamics steer microstructure evolution and phase progression. These insights highlight the critical role of vacancy dynamics in controlling oxide reactivity and offer a pathway toward vacancy engineering to enhance reduction kinetics in hydrogen metallurgy and to tailor porosity, reactivity, and structural resilience in oxide-based catalysts and energy materials.

36 MATERIALS SCIENCE↗

DOE OSTI2025

In-Situ Atomic-Scale Revelation of Amorphous Metallic Iron Formation during Hydrogen-Driven Reduction of Iron Oxides

The transition to hydrogen as a green reductant in metal production is critical for decarbonizing the metallurgical industry, yet atomic-scale mechanisms governing reduction pathways and phase evolution remain unresolved. Using in-situ environmental transmission electron microscopy, we identify a hidden pathway that reveals dynamic formation of amorphous metallic iron (Fe) during the hydrogen-driven reduction of ferrous oxides of Fe 3 O 4 and FeO. Real-time imaging uncovers three coexisting transformation routes: (i) Fe 3 O 4 → FeO, (ii) Fe 3 O 4 → amorphous Fe, and (iii) FeO → amorphous Fe. The resulting amorphous Fe exhibits fluid-like mobility, enabling its rapid aggregation and crystallization into core-shell nanostructures, with a crystalline core enveloped by an amorphous shell. Complementary ab initio molecular dynamics simulations trace the amorphous Fe formation to interfacial strain at the metal/oxide interfaces, where large lattice mismatches destabilize the metal lattice during initial metallization. This interplay between thermodynamics and kinetics governs phase evolution: thermodynamics favors a self-limiting amorphous Fe overlayer, while rapid oxide reduction kinetics drives amorphous overgrowth. Our findings demonstrate that amorphous intermediates bypass rate-limiting crystalline steps, providing mechanistic insights to optimize H 2 -based processes for sustainable steelmaking. In conclusion, these insights bridge the gap between macroscopic process engineering and atomic-scale dynamics, with broader implications for catalysis and nanostructured material synthesis, where oxide reduction pathways critically shape functional phases and microstructures.

36 MATERIALS SCIENCE↗

NASA NTRS1987

Materials research and applications at NASA Lewis Research Center

The facilities and instruments of the Lewis Research Center specialized for materials research are discussed. The main objectives of the Center are to provide R & D relevant to main propulsion plants and auxiliary power systems for aeronautics, space, and energy conversion applications. The Center is concerned with microstructure-property relations and their effect on processing; intermetallic compounds and high temperature metal matrix composites; ceramics with improved reliability for use in heat engines; polymer matrix composites for aerospace applcations; understanding the high temperature corrosive attack in the hostile environments of aircraft, rockets, and other heat engines; high temperature lubrication and wear; and microgravity materials research. The various types of schemes and techniques, provided by the Center, for analyzing data are described.

Probst, H. B.↗

NASA NTRS1990

A study of microstructural characteristics of Ni-based superalloys at high temperatures

The microstructural characteristics of the Ni-based superalloy MAR-M245(Hf) which is used in manufacturing the components of the Space Shuttle main engine are studied. These superalloys need optimum heat treatment to get the best results. To find out the optimum heat treatment, the techniques of differential thermal analysis (DTA) and the optical photomicrographs were utilized. In the first phase, the existing experimental equipment like cutting, grinding/polishing machines and metallurgical microscope were set up to cut/polish and take the photomicrographs. In the beginning of the project a Perkin Elmer differential thermal analyzer DTA1700 along with a temperature programmed and the needed computer interface was procured and made operational. In the second year a Leitz Metallux-3 hot state research microscope was also procured and installed for in-situ observation of the superalloy samples. The hot stage when tested for the first time alloyed the thermocouple with the Tantalum heating element and has now been installed. Samples of MAR-M246(Hf), MAR-M247, Waspaloy, Udimet-41, CMSX-3, and CMSX-3 (Polycrystalline and single crystals) were studied using a differential thermal analyzer and the results are reported. Photomicrographs of the Ni-based superalloy MAR-M246 (Hf) were recorded before and after heat treatment at certain temperatures. More heat treatments need to be done before a final inference can be reached.

Lal, Ravindra B.↗

NASA NTRS1993

INEL Spray-forming Research

Spray forming is a near-net-shape fabrication technology in which a spray of finely atomized liquid droplets is deposited onto a suitably shaped substrate or mold to produce a coherent solid. The technology offers unique opportunities for simplifying materials processing without sacrificing, and oftentimes substantially improving, product quality. Spray forming can be performed with a wide range of metals and nonmetals, and offers property improvements resulting from rapid solidification (e.g., refined microstructures, extended solid solubilities and reduced segregation). Economic benefits result from process simplification and the elimination of unit operations. Researchers at the Idaho National Engineering Laboratory (INEL) are developing spray-forming technology for producing near-net-shape solids and coatings of a variety of metals, polymers, and composite materials. Results from several spray forming programs are presented to illustrate the range of capabilities of the technique as well as the accompanying technical and economic benefits. Low-carbon steel strip greater than 0.75 mm thick and polymer membranes for gas/gas and liquid/liquid separations that were spray formed are discussed; recent advances in spray forming molds, dies, and other tooling using low-melting-point metals are described.

Mchugh, Kevin M.↗

NASA NTRS2002

Thermal Gradient Cyclic Behavior of a Thermal/Environmental Barrier Coating System on SiC/SiC Ceramic Matrix Composites

Thermal barrier and environmental barrier coatings (TBCs and EBCs) will play a crucial role in future advanced gas turbine engines because of their ability to significantly extend the temperature capability of the ceramic matrix composite (CMC) engine components in harsh combustion environments. In order to develop high performance, robust coating systems for effective thermal and environmental protection of the engine components, appropriate test approaches for evaluating the critical coating properties must be established. In this paper, a laser high-heat-flux, thermal gradient approach for testing the coatings will be described. Thermal cyclic behavior of plasma-sprayed coating systems, consisting of ZrO2-8wt%Y2O3 thermal barrier and NASA Enabling Propulsion Materials (EPM) Program developed mullite+BSAS/Si type environmental barrier coatings on SiC/SiC ceramic matrix composites, was investigated under thermal gradients using the laser heat-flux rig in conjunction with the furnace thermal cyclic tests in water-vapor environments. The coating sintering and interface damage were assessed by monitoring the real-time thermal conductivity changes during the laser heat-flux tests and by examining the microstructural changes after the tests. The coating failure mechanisms are discussed based on the cyclic test results and are correlated to the sintering, creep, and thermal stress behavior under simulated engine temperature and heat flux conditions.

Zhu, Dongming↗

DOE OSTI2024

Understanding the effect of crystal anisotropy on grain growth, texturing and transport via the orthorhombic ?-U system [Slides]

The alpha phase of uranium exhibits the orthorhombic crystal structure, resulting in significant physical property anisotropy. These complex properties make the material challenging to work with in engineering settings but provide a rich arena to investigate the fundamental, multi-scale effects of anisotropy on physical behaviors such as grain growth and microstructure evolution under irradiation. We apply molecular dynamics and phase field modeling to study mass transport and grain growth in alpha-uranium. We characterize the mobilities of crystalline defects and the interfacial energy, and We find that the grain boundary energy is highly variable depending on the interface structure and that the relative rates of defect transport change with temperature. We also find that anisotropic thermal expansion has a significant impact on grain growth kinetics and texture development. Our results are used to explain experimental observations and to provide a basis for further hypotheses into the complex physical behavior of alpha-uranium.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS1983

Failure analysis of a tool steel torque shaft

A low design load drive shaft used to deliver power from an experimental exhaust heat recovery system to the crankshaft of an experimental diesel truck engine failed during highway testing. An independent testing laboratory analyzed the failure by routine metallography and attributed the failure to fatigue induced by a banded microstructure. Visual examination by NASA of the failed shaft plus the knowledge of the torsional load that it carried pointed to a 100 percent ductile failure with no evidence of fatigue. Scanning electron microscopy confirmed this. Previously announced in STAR as N82-11184

Reagan, J. R.↗

NASA NTRS1988

A study of microstructural characteristics of Ni-based superalloys at high temperatures

The microstructural characteristics of the Ni-based superalloy MAR-M246(Hf) which is used in manufacturing the components of the Space Shuttle's main engine have been studied. These superalloys need optimal heat treatment to get the best results. To find the optimum heat treatment the technique of differential thermal analysis and the optical photomicrographs are being planned to be utilized. In the first phase, the existing experimental equipment like cutting, grinding/polishing machines and metallurgical microscope have been set up to cut/polish and take the photomicrographs. In the beginning of this year an order was placed for the Leitz Mettalux-3 microscope with a hot stage for in-situ observation of the superalloy samples. The hot stage was tested for the first time, alloying the thermocouple with the Tantulum heating element and has not been installed finally by the supplier. A Perkin Elmer Differential Thermal Analyzer (DTA 1700) was procured in the first year of the project. Samples of MAR-M246(Hf), MAR-M247, Waspaloy, Udimet-41, CMSX-2 and CMSX-3 (polycrystalline and single crystals) have been studied using differential thermal analyzer.

Lal, R. B.↗

NASA NTRSDate not supplied

Hot Hydrogen Testing of Uranium Nitride Cermet for Nuclear Thermal Propulsion

This study investigated the thermochemical stability and performance characteristics of uranium mononitride tungsten molybdenum cermet (UN-Mo30W) as a potential fuel material for Nuclear Thermal Propulsion (NTP) engines. Twelve monolithic cylinders were subjected to conditions simulating an active NTP engine. The tests demonstrated thermal variability within the test article and highlighted the dissociation of UN into U and N2 at elevated temperatures, affecting the microstructure and causing bonding between cermet wafers and cooling tubes. Findings indicate that while UN-Mo30W cermet exhibits some desirable properties for NTP applications, its suitability is limited by high-temperature thermochemical instability.

nuclear fuels↗

NASA NTRS2003

Low Cost Heat Treatment Process for Production of Dual Microstructure Superalloy Disks

There are numerous incidents where operating conditions imposed on a component mandate different and distinct mechanical property requirements from location to location within the component. Examples include a crankshaft in an internal combustion engine, gears for an automotive transmission, and disks for a gas turbine engine. Gas turbine disks are often made from nickel-base superalloys, because these disks need to withstand the temperature and stresses involved in the gas turbine cycle. In the bore of the disk where the operating temperature is somewhat lower, the limiting material properties are often tensile and fatigue strength. In the rim of the disk, where the operating temperatures are higher than those of the bore, because of the proximity to the combustion gases, resistance to creep and crack growth are often the limiting properties.

Gayda, John↗

NASA NTRS2000

HOTCFGM-2D: A Coupled Higher-Order Theory for Cylindrical Structural Components with Bi-Directionally Components with Bi-Directionally Graded Microstructures

The objective of this two-year project was to develop and deliver to the NASA-Glenn Research Center a two-dimensional higher-order theory, and related computer codes, for the analysis and design of cylindrical functionally graded materials/structural components for use in advanced aircraft engines (e.g., combustor linings, rotor disks, heat shields, brisk blades). To satisfy this objective, two-dimensional version of the higher-order theory, HOTCFGM-2D, and four computer codes based on this theory, for the analysis and design of structural components functionally graded in the radial and circumferential directions were developed in the cylindrical coordinate system r-Theta-z. This version of the higher-order theory is a significant generalization of the one-dimensional theory, HOTCFGM-1D, developed during the FY97 for the analysis and design of cylindrical structural components with radially graded microstructures. The generalized theory is applicable to thin multi-phased composite shells/cylinders subjected to steady-state thermomechanical, transient thermal and inertial loading applied uniformly along the axial direction such that the overall deformation is characterized by a constant average axial strain. The reinforcement phases are uniformly distributed in the axial direction, and arbitrarily distributed in the radial and circumferential direction, thereby allowing functional grading of the internal reinforcement in the r-Theta plane. The four computer codes fgmc3dq.cylindrical.f, fgmp3dq.cylindrical.f, fgmgvips3dq.cylindrical.f, and fgmc3dq.cylindrical.transient.f are research-oriented codes for investigating the effect of functionally graded architectures, as well as the properties of the multi-phase reinforcement, in thin shells subjected to thermomechanical and inertial loading, on the internal temperature, stress and (inelastic) strain fields. The reinforcement distribution in the radial and circumferential directions is specified by the user. The thermal and inelastic properties of the individual phases can vary with temperature. The inelastic phases are presently modeled by the power-law creep model generalized to multi-directional loading (within fgmc3dq.cylindrical.f and fgmc3dq.cylindrical.transient.f for steady-state and transient thermal loading, respectively), and incremental plasticity and GVIPS unified viscoplasticity theories (within the steady-state loading versions fgmp3dq.cylindrical.f and fgmgvips3dq.cylindrical.f).

Pindera, Marek-Jerzy↗

NASA NTRS1989

A study of microstructural characteristics and differential thermal analysis of Ni-based superalloys

The objective of this work is to correlate the mechanical properties of the Ni-based superalloy MAR M246(Hf) used in the Space Shuttle Main Engine with its structural characteristics by systematic study of optical photomicrographs and differential thermal analysis. The authors developed a method of predicting the liquidus and solidus temperature of various nickel based superalloys (MAR-M247, Waspaloy, Udimet-41, polycrystalline and single crystals of CMSX-2 and CMSX-3) and comparing the predictions with the experimental differential thermal analysis (DTA) curves using Perkin-Elmer DTA 1700. The method of predicting these temperatures is based on the additive effect of the components dissolved in nickel. The results were compared with the experimental values.

Aggarwal, M. D.↗

NASA NTRS2000

Directionally Solidified NiAl-Based Alloys Studied for Improved Elevated-Temperature Strength and Room-Temperature Fracture Toughness

Efforts are underway to replace superalloys used in the hot sections of gas turbine engines with materials possessing better mechanical and physical properties. Alloys based on the intermetallic NiAl have demonstrated potential; however, they generally suffer from low fracture resistance (toughness) at room temperature and from poor strength at elevated temperatures. Directional solidification of NiAl alloyed with both Cr and Mo has yielded materials with useful toughness and elevated-temperature strength values. The intermetallic alloy NiAl has been proposed as an advanced material to extend the maximum operational temperature of gas turbine engines by several hundred degrees centigrade. This intermetallic alloy displays a lower density (approximately 30-percent less) and a higher thermal conductivity (4 to 8 times greater) than conventional superalloys as well as good high-temperature oxidation resistance. Unfortunately, unalloyed NiAl has poor elevated temperature strength (approximately 50 MPa at 1027 C) and low room-temperature fracture toughness (about 5 MPa). Directionally solidified NiAl eutectic alloys are known to possess a combination of high elevated-temperature strength and good room-temperature fracture toughness. Research has demonstrated that a NiAl matrix containing a uniform distribution of very thin Cr plates alloyed with Mo possessed both increased fracture toughness and elevated-temperature creep strength. Although attractive properties were obtained, these alloys were formed at low growth rates (greater than 19 mm/hr), which are considered to be economically unviable. Hence, an investigation was warranted of the strength and toughness behavior of NiAl-(Cr,Mo) directionally solidified at faster growth rates. If the mechanical properties did not deteriorate with increased growth rates, directional solidification could offer an economical means to produce NiAl-based alloys commercially for gas turbine engines. An investigation at the NASA Glenn Research Center at Lewis Field was undertaken to study the effect of the directional solidification growth rate on the microstructure, room temperature fracture toughness, and strength at 1027 C of a Ni-33Al-31Cr-3Mo eutectic alloy. The directionally solidified rates varied between 7.6 and 508 millimeters per hour Essentially fault-free, alternating (Cr, Mo)/NiAl lamellar plate microstructures (left photograph) were formed during growth at and below 12.7 mm/hr, whereas cellular microstructures (right photograph) with the (Cr, Mo) phase in a radial spokelike pattern were developed at faster growth rates. The compressive strength at 1027 C continuously increased with increasing growth rate and did not indicate a maxima as was reported for directionally solidified Ni-33Al-34Cr. Surprisingly, samples with the lamellar plate microstructure (left photograph) possessed a room-temperature fracture toughness of approximately 12 MPa(sup square root of m), whereas all the alloys with a cellular microstructure had a toughness of about 17 MPa(sup square root of m). These results are significant since they clearly demonstrate that Ni-33Al-31Cr-3Mo can be directionally solidified at much faster growth rates without any observable deterioration in its mechanical properties. Thus, the potential to produce strong, tough NiAl-based eutectics at commercially acceptable growth rates exists. Additional testing and alloy optimization studies are underway.

Whittenberger, J. Daniel↗

DOE OSTI2024

Leveraging a Neural Network-Enhanced Reproducing Kernel Particle Method for Multiphysics Degradation Modeling of Energy Storage Materials

Energy storage materials exhibit strong electro-chemo-mechanical coupling and highly anisotropic material properties, contributing to the formation and propagation of micro-cracking during charge/discharge cycling and resulting in reduced performance and service life. A coupled electro-chemo-mechanical reproducing kernel particle method (RKPM) formulation has been developed to analyze this system. With microstructural images supplied by the National Renewable Energy Laboratory (NREL), pixel-based model construction by RKPM is used to represent the complex material microstructures that dictate the coupled physics of these systems. Traditional electro-chemo-mechanical models rely on mesh-based finite element methods, which can lead to difficulties in meshing such complex geometries and capturing crack propagation due to mesh dependency. Here, a neural network-enhanced reproducing kernel particle method (NN-RKPM) [1, 2] is introduced to effectively model damage and crack propagation in the material microstructures; the location, orientation, and solution transition near a localization are automatically captured by superimposed block-level NN optimizations. This NN enrichment approach allows for effective modeling of localizations via a fixed background discretization, relieving tedious efforts for adaptive refinement in traditional mesh-based methods. Applications to the heterogeneous microstructures of Li-ion battery cathodes will be presented to demonstrate the effectiveness of the proposed methods. NN-RKPM is additionally used to inform how crack opening and closure in turn affect the coupled chemical equations and material microstructure. Reference: [1] Baek, J., Chen, J. S., Susuki, K., "Neural Network enhanced Reproducing Kernel Particle Method for Modeling Localizations," International Journal for Numerical Methods in Engineering, Vol. 123, pp 4422-4454, https://doi.org/10.1002/nme.7040, 2022. [2] Baek, J., Chen, J. S., "A Neural Network-Based Enrichment of Reproducing Kernel Approximation for Modeling Brittle Fracture", Computer Methods in Applied Mechanics and Engineering Vol. 410, 116590, 2024.

degradation↗