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All sources NASA NTRS DOE OSTI

DOE OSTI2025

CALPHAD-based Bayesian optimization to accelerate alloy discovery for high-temperature applications

Two crucial properties influencing the performance of high-temperature alloys are coefficient of thermal expansion (CTE) and phase constitution. It is desirable to have alloys with low CTE, which reduces CTE mismatch with the surface oxide and the likelihood of oxide spallation. Reducing the amount of brittle intermetallic phases such as Sigma (σ) enhances alloy ductility and processability. Here, we propose a multi-objective Bayesian Optimization (BO) model to simultaneously minimize CTE (at an operational temperature of 1150 °C) and T σ (temperature when the Sigma phase completely dissolves in the metal matrix), properties which are obtained from high-throughput CALculation of PHAse Diagrams (CALPHAD). The model successfully identifies several alloys with CTE ≤ 2 × 10 –5 /K and T σ ≤ 500 °C by exploring just 7% of the nickel–chromium–cobalt–aluminum–iron (Ni–Cr–Co–Al–Fe) composition space. Such multi-objective alloy design frameworks can be used to inform additive manufacturing experiments and accelerate alloy discovery for high-temperature energy applications.

36 MATERIALS SCIENCE↗

NASA NTRS1984

Effects of alloy composition on cyclic flame hot-corrosion attack of cast nickel-base superalloys at 900 deg C

The effects of Cr, Al, Ti, Mo, Ta, Nb, and W content on the hot corrosion of nickel base alloys were investigated. The alloys were tested in a Mach 0.3 flame with 0.5 ppmw sodium at a temperature of 900 C. One nondestructive and three destructive tests were conducted. The best corrosion resistance was achieved when the Cr content was 12 wt %. However, some lower-Cr-content alloys ( 10 wt%) exhibited reasonable resistance provided that the Al content alloys ( 10 wt %) exhibited reasonable resistance provided that the Al content was 2.5 wt % and the Ti content was Aa wt %. The effect of W, Ta, Mo, and Nb contents on the hot-corrosion resistance varied depending on the Al and Ti contents. Several commercial alloy compositions were also tested and the corrosion attack was measured. Predicted attack was calculated for these alloys from derived regression equations and was in reasonable agreement with that experimentally measured. The regression equations were derived from measurements made on alloys in a one-quarter replicate of a 2(7) statistical design alloy composition experiment. These regression equations represent a simple linear model and are only a very preliminary analysis of the data needed to provide insights into the experimental method.

Deadmore, D. L.↗

NASA NTRS1985

Cast iron-base alloy for cylinder/regenerator housing

NASACC-1 is a castable iron-base alloy designed to replace the costly and strategic cobalt-base X-40 alloy used in the automotive Stirling engine cylinder/generator housing. Over 40 alloy compositions were evaluated using investment cast test bars for stress-rupture testing. Also, hydrogen compatibility and oxygen corrosion resistance tests were used to determine the optimal alloy. NASACC-1 alloy was characterized using elevated and room temperature tensile, creep-rupture, low cycle fatigue, heat capacity, specific heat, and thermal expansion testing. Furthermore, phase analysis was performed on samples with several heat treated conditions. The properties are very encouraging. NASACC-1 alloy shows stress-rupture and low cycle fatigue properties equivalent to X-40. The oxidation resistance surpassed the program goal while maintaining acceptable resistance to hydrogen exposure. The welding, brazing, and casting characteristics are excellent. Finally, the cost of NASACC-1 is significantly lower than that of X-40.

Witter, Stewart L.↗

NASA NTRS1991

Evaluation of the microstructure of Al-Cu-Li-Ag-Mg Weldalite (tm) alloys, part 4

Weldalite (trademark) 049 is an Al-Cu-Li-Ag-Mg alloy designed to have ultrahigh strength and to serve in aerospace applications. The alloy displays significantly higher strength than competitive alloys in both naturally aged and artificially aged tempers. The strengthening phases in such tempers have been identified to, in part, explain the mechanical properties attained. In general, the alloy is strengthened by delta prime Al3Li and Guinier-Preston (GP) zones in the naturally aged tempers. In artificially aged tempers in slightly underaged conditions, strengthening is provided by several phases including GP zones, theta prime Al2Cu, S prime Al2CuMg, T(sub 1) Al2CuLi, and possibly a new phase. In the peak strength artificially aged tempers, T(sub 1) is the predominant strengthening phase.

Pickens, Joseph R.↗

NASA NTRS1989

Identification of a cast iron alloy containing nonstrategic elements

A program was performed to address the mechanical and environmental needs of Stirling engine heater head and regenerator housing components, while reducing the dependence on strategic materials. An alloy was developed which contained no strategic elemental additions per se. The base is iron with additions of manganese, molybdenum, carbon, silicon, niobium, and ferro-chromium. Such an alloy should be producible on a large scale at very low cost. The resulting alloy, designated as NASAUT 4G-Al, contained 15 Mn, 15 Cr, 2 Mo, 1.5 C, 1.0 Si, 1.0 Nb (in weight percent) with a balance of Fe. This alloy was optimized for chemistry, based upon tensile strength, creep-rupture strength, fracture behavior, and fatigue resistance up to 800 C. Alloys were also tested for environmental compatibility. The microstructure and mechanic properties (including hardness) were assessed in the as-cast condition and following several heat treatments, including one designed to simulate a required braze cycle. The alloy was fabricated and characterized in the form of both equiaxed and columnar-grained castings. The columnar grains were produced by directional solidification, and the properties were characterized in both the longitudinal and transverse orientations. The NASAUT 4G-Al alloy was found to be good in cyclic-oxidation resistance and excellent in both hydrogen and hot-corrosion resistance, especially in comparison to the baseline XF-818 alloy. The mechanical properties of yield strength, stress-rupture life, high-cycle-fatigue resistance, and low-cycle-fatigue resistance were good to excellent in comparison to the current alloy for this application, HS-31 (X-40), with precise results depending in a complex manner on grain orientation and temperature. If required, the ductility could be improved by lowering the carbon content.

Cooper, C. V.↗

DOE OSTI2024

ASME Section III, Division 5, Class A 100,000-hour design data for Alloy 709

This report documents the 100,000 hour, Class A ASME design material data for Alloy 709 based on the extensive Department of Energy, Office of Nuclear Energy, Advanced Reactor Technologies qualification test campaign. This report includes design tensile properties, creep rupture data, allowable stresses, isochronous stress-strain curves, buckling charts, and a few additional miscellaneous pieces of design data. Companion work at Oak Ridge National Laboratory and Argonne National Laboratory provide design cyclic data --- fatigue charts and creep-fatigue diagrams --- and an inelastic constitutive model. This work substantially completes the ASME data package for the Alloy 709 Code Case, though the design data will continue to updated as the final tests finish. This report also compares the design performance of Alloy 709 against that of 316H stainless steel to provide a reference for the improved high temperature strength of 709 compared to a reference material for sodium fast reactor construction.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Understanding Twinning and Deformation in High Entropy Alloys

On the one hand, multi-principal element alloys (MPEAs) have created a paradigm shift in alloy design due to large compositional space, whereas on the other, they have presented enormous computational challenges for theory-based materials design, especially density functional theory (DFT), which is inherently computationally expensive even for traditional dilute alloys. In this project, we developed a machine learning framework, namely PREDICT ( PR edict properties from E xisting D atabase I n C omplex alloys T erritory), that opens a pathway to predict elastic constants in large compositional space with little computational expense. The framework only relies on the DFT database of binary alloys and predicts Voigt–Reuss–Hill Young’s modulus, shear modulus, bulk modulus, elastic constants, and Poisson’s ratio in MPEAs. We show that the key descriptors of elastic constants are the A–B bond length and cohesive energy. The framework can predict elastic constants in hypothetical compositions as long as the constituent elements are present in the database, thereby enabling property exploration in multi-compositional systems. We illustrate predictions in a FCC Ni-Cu-Au-Pd-Pt system.

36 MATERIALS SCIENCE↗

NASA NTRS1987

High-temperature ordered intermetallic alloys II; Proceedings of the Second Symposium, Boston, MA, Dec. 2-4, 1986

The papers presented in this volume provide on overview of recent theoretical and experimental research in the field of high-temperature ordered intermetallic alloys. The papers are gouped under the following headings: ordering behavior and theory, microstructures, mechanical behavior, alloy design and microstructural control, and metallurgical properties. Specific topics discussed include antiphase domains, disordered films and the ductility of ordered alloys based on Ni3Al; kinetics and mechanics of formation of Al-Ni intermetallics; deformability improvements of L1(2)-type intermetallic compounds; B2 aluminides for high-temperature applications; and rapidly solidified binary TiAl alloys.

Stoloff, N. S.↗

NASA NTRS1975

Modified ferritic iron alloys with improved high-temperature mechanical properties and oxidation resistance

An alloy modification program was conducted in which the compositions of two existing Fe-Cr-Al alloys (Armco 18SR and GE-1541) were changed to achieve either improved high-temperature strength or improved fabricability. Only modifications of Armco 18SR were successful in achieving increased strength without loss of fabricability or oxidation resistance. The best modified alloy, designated NASA-18T, had twice the rupture strength of Armco 18SR at 800 and 1000 C. The NASA-18T alloy also had better oxidation resistance than Armco 18SR and comparable fabricability. The nominal composition of NASA-18T is Fe-18Cr-2Al-1Si-1.25Ta. All attempted modifications of the GE-1541 alloy were unsuccessful in terms of achieving better fabricability without sacrificing high-temperature strength and oxidation resistance.

Oldrieve, R. E.↗

NASA NTRS2020

Producing Next Generation Superalloys Through Advanced Characterization and Manufacturing Techniques

NASA is currently working towards developing the next generation high temperature alloys for various aerospace and energy applications. Through advanced microscopy and computational insights, a novel atomic scale strengthening mechanism was discovered in Ni-base superalloys. This new local phase transformation strengthening technique has been successfully implemented resulting in new disk alloys with substantial improvements in creep strength over current state-of-the-art. Furthermore, additive manufacturing has been leveraged to produce dispersion strengthened (DS), multi-principal element alloys (MPEA) without the use of traditional mechanical alloying or chemical reactions. This new processing technique has successfully resulted in 99.9% dense oxide dispersion strengthened NiCoCr alloy parts. High temperature mechanical testing of the DS alloys showed significant improvements in strength and ductility over the baseline NiCoCr. As a result, this recently discovered processing route opens a new alloy design and production path that is synergistic between additive manufacturing and dispersion strengthening, possibly enabling a new generation of high-performance alloys.

Smith, Timothy M.↗

NASA NTRS2020

Efficient production of a high-performance dispersion strengthened, multi-principal element alloy

Additive manufacturing currently facilitates new avenues for materials discovery that have not been fully explored. In this study we reveal how additive manufacturing can be leveraged to produce dispersion strengthened (DS), multi-principal element alloys (MPEA) without the use of traditional mechanical alloying or chemical reactions. This new processing technique employed resonant acoustic mixing to coat an equiatomic NiCoCr powder with nano-scale yttrium oxides. Then, through laser powder bed fusion (L-PBF), the coated powder was successfully consolidated into 99.9% dense parts. Microstructural analysis confirmed the successful incorporation and dispersion of nano-scale oxides throughout the build volume. Furthermore, high temperature mechanical testing of the DS alloys showed significant improvements in strength and ductility over the baseline NiCoCr. As a result, this recently discovered processing route opens a new alloy design and production path that is synergistic between additive manufacturing and dispersion strengthening, possibly enabling a new generation of high-performance alloys.

T.M. Smith↗

NASA NTRSDate not supplied

GRX-810: NASA High Temperature Alloy Development for Additive Manufacturing

High-entropy alloys, and by extension, medium entropy alloys are an exciting new class of materials due to their impressive mechanical properties, especially at cryogenic and elevated temperatures. In this study, a novel oxide dispersion strengthened (ODS) NiCoCr-based alloy is presented which exhibits exceptional high temperature properties compared to conventional wrought superalloys. This new ODS alloy, GRX-810, leverages additive manufacturing to disperse nanoscale Y2O3 particles throughout the microstructure without the use of resource intensive processing steps, such as mechanical alloying. Microstructural and mechanical characterization confirms the successful incorporation and dispersion of nano-scale oxides throughout the build volume. As a result, this recently discovered processing route presents a new alloy design and production path that is synergistic between additive manufacturing and dispersion strengthening, possibly enabling a new generation of high-performance alloys.

Tim Smith↗

DOE OSTI2026

Mechanical behaviour of additively manufactured metals

Additive manufacturing is reshaping the production of engineering components in diverse industries, such as the automotive, aerospace, defense, and biomedical sectors, by offering unprecedented design flexibility. The non-equilibrium processing conditions of additive manufacturing generate materials with unique microstructures and tailored mechanical properties that are often unattainable through conventional routes. This review focuses on recent advances in additively manufactured metals that demonstrate distinctive mechanical behaviors, including strength-ductility synergy, microstresses and gradient plasticity, fracture and fatigue resistance, and high-temperature creep performance. Here, we examine the mechanisms and micromechanical effects arising from the heterogeneous microstructures fabricated by additive manufacturing, to guide the design of a wide range of high-performance structural materials. Furthermore, we discuss critical research needs and emerging opportunities in process control, alloy design, advanced characterization, high-fidelity computational modeling, and machine learning aimed at achieving exceptional mechanical properties in additively manufactured metals.

Additive Manufacturing↗

NASA NTRS2007

Development of GRCop-84 for Rocket Engine Applications

GRCop-84 (Cu-8 at.% Cr-4 at.% Nb) has been under development at the NASA Glenn Research Center for several years. The alloy possesses a unique combination of good thermal conductivity, high elevated temperature strength, long creep lives and long low cycle fatigue lives. The alloy is also more oxidation resistant than pure copper and most competitive alloys. The combination of properties has attracted attention from major rocket engine manufacturers who are interested in the alloy for the combustion chamber liner in their next generation of regeneratively cooled engines. It is also a strong candidate for various components in hypersonic vehicles, which also experience very high heat flux conditions. This presentation will discuss the alloy design strategies used to develop GRCop-84 and the various processing routes available for manufacturing components. The microstructure and mechanical properties of the alloy will be reviewed, as well as the results of actual hot fire testing of subscale rocket combustion chambers. The use of environmental and thermal barrier coatings to extend the performance to even higher levels will also be discussed.

Ellis, David L.↗

NASA NTRS2008

Microstructure Modeling of 3rd Generation Disk Alloy

The objective of this initiative, funded by NASA's Aviation Safety Program, is to model, validate, and predict, with high fidelity, the microstructural evolution of third-generation high-refractory Ni-based disc superalloys during heat treating and service conditions. This initiative is a natural extension of the DARPA-AIM (Accelerated Insertion of Materials) initiative with GE/Pratt-Whitney and with other process simulation tools. Strong collaboration with the NASA Glenn Research Center (GRC) is a key component of this initiative and the focus of this program is on industrially relevant disk alloys and heat treatment processes identified by GRC. Employing QuesTek s Computational Materials Dynamics technology and PrecipiCalc precipitation simulator, physics-based models are being used to achieve high predictive accuracy and precision. Combining these models with experimental data and probabilistic analysis, "virtual alloy design" can be performed. The predicted microstructures can be optimized to promote desirable features and concurrently eliminate nondesirable phases that can limit the reliability and durability of the alloys. The well-calibrated and well-integrated software tools that are being applied under the proposed program will help gas turbine disk alloy manufacturers, processing facilities, and NASA, to efficiently and effectively improve the performance of current and future disk materials.

Jou, Herng-Jeng↗

DOE OSTI2024

High-Entropy Alloy R&D for Accelerator Beam Window Applications

High-Entropy Alloys are a class of novel material that can offer improved resistance to beam-induced radiation damage and thermal shock. Development of these new alloys to serve as beam windows in multi-megawatt accelerator target applications is ongoing at Fermilab. Currently we are investigating AlCoCrMnTiV alloy systems of 4-6 components for service as beam windows; these compositions are predicted by CALPHAD simulation to have a low density and single-phase BCC crystal structure. The microstructures of these systems are being studied by electron microscopy techniques such as energy dispersive X-ray spectroscopy (EDS) to determine elemental homogeneity and composition, electron backscatter diffraction (EBSD) to quantify grain structure and orientation, and transmission electron microscopy (TEM) to observe defect structures and precipitate formation; nanoindentation is used to probe microstructural mechanical properties. Initial bulk property characterization utilizes differential scanning calorimetry to quantify specific heat capacity (cp), dilatometry to determine the coefficient of thermal expansion (CTE), and time-domain thermoreflectance (TDTR) to measure thermal conductivity (K). A miniature tensile testing apparatus is also being developed to test tensile properties. Post-irradiation examination is currently ongoing for several of these compositions that have been irradiated by low-energy ions to damage levels and at a temperature relevant to beam window applications at future next-generation accelerator facilities. This talk will briefly describe the alloy design and synthesis before going into more depth covering microstructural pre-characterization, and post-irradiation examination results from low-energy ion irradiated specimens. This will be followed by the plans for alloy down selection and future prototypic proton irradiations.

43 PARTICLE ACCELERATORS↗

NASA NTRS1976

Basic aspects of superalloy design for crack growth resistance

It is pointed out that the major difficulty concerning an understanding of the flaw growth resistance properties of superalloys is related to the lack of basic theories. An attempt is made to develop these theories, taking into account their use for the identification of tentative alloy design guidelines for flaw growth resistance. A brief review of the fatigue crack growth literature is provided. Attention is given to continuous fatigue crack growth theory, threshold fatigue crack growth, planar slip superalloy fatigue crack growth, and aspects of creep crack growth resistance.

Tien, J. K.↗

NASA NTRS1977

Weldability of high toughness Fe-12% Ni alloys containing Ti, Al or Nb

Three exceptionally high-toughness Fe-12%Ni alloys designed for cryogenic service were welded using the GTA welding process. Evaluation of weldability included equivalent energy (KIed) fracture toughness tests, transverse-weld tensile tests at -196 and 25 C and weld crack sensitivity tests. The Fe-12%Ni-0.25%Ti alloy proved extremely weldable for cryogenic applications, having weld and HAZ properties comparable with those of the wrought base alloy. The Fe-12%Ni-0.5%Al had good weld properties only after the weld joint was heat treated. The Fe-12%Ni-0.25%Nb alloy was not considered weldable for cryogenic use because of its poor weld joint properties at -196 C and its susceptibility to hot cracking.

Devletian, J. H.↗