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At least 37 records · Page 2

Alloy Design Challenge: Development of Low Density Superalloys for Turbine Blade Applications

New low density single crystal (LDS) alloys have been developed for turbine blade applications, which have the potential for significant improvements in the thrust to weight ratio over current production alloys. An innovative alloying strategy was identified to achieve high temperature creep resistance, alloy density reductions, microstructural stability, and cyclic oxidation resistance. The approach relies on the use of molybdenum (Mo) as a potent solid solution strengthener for the nickel (Ni)-base superalloy; Mo has a density much closer to Ni than other refractory elements, such as rhenium (Re) or tungsten (W). A host of testing and microstructural examinations was conducted on the superalloy single crystals, including creep rupture testing, microstructural stability, cyclic oxidation, and hot corrosion. The paper will provide an overview of the single crystal properties that were generated in this new superalloy design space. The paper will also demonstrate the feasibility of this innovative approach of low density single crystal superalloy design. It will be shown that the best LDS alloy possesses the best attributes of three generations of single crystal alloys: the low density of first-generation single crystal alloys, the excellent oxidation resistance of second-generation single crystal alloys, and a creep strength which exceeds that of second and third generation alloys.

MacKay, Rebecca A.

Superalloy Disk With Dual-Grain Structure Spin Tested

Advanced nickel-base disk alloys for future gas turbine engines will require greater temperature capability than current alloys, but they must also continue to deliver safe, reliable operation. An advanced, nickel-base disk alloy, designated Alloy 10, was selected for evaluation in NASA s Ultra Safe Propulsion Project. Early studies on small test specimens showed that heat treatments that produced a fine grain microstructure promoted high strength and long fatigue life in the bore of a disk, whereas heat treatments that produced a coarse grain microstructure promoted optimal creep and crack growth resistance in the rim of a disk. On the basis of these results, the optimal combination of performance and safety might be achieved by utilizing a heat-treatment technology that could produce a fine grain bore and coarse grain rim in a nickel-base disk. Alloy 10 disks that were given a dual microstructure heat treatment (DMHT) were obtained from NASA s Ultra-Efficient Engine Technology (UEET) Program for preliminary evaluation. Data on small test specimens machined from a DMHT disk were encouraging. However, the benefit of the dual grain structure on the performance and reliability of the entire disk still needed to be demonstrated. For this reason, a high temperature spin test of a DMHT disk was run at 20 000 rpm and 1500 F at the Balancing Company of Dayton, Ohio, under the direction of NASA Glenn Research Center personnel. The results of that test showed that the DMHT disk exhibited significantly lower crack growth than a disk with a fine grain microstructure. In addition, the results of these tests could be accurately predicted using a two-dimensional, axisymmetric finite element analysis of the DMHT disk. Although the first spin test demonstrated a significant performance advantage associated with the DMHT technology, a second spin test on the DMHT disk was run to determine burst margin. The disk burst in the web at a very high speed, over 39 000 rpm, in line with the predicted location and speed. Furthermore, significant growth of the disk was observed before failure, in line with predictions, clearly demonstrating the reliability and safety of the DMHT technology. Although successful spin testing in Ultra Safe's Nickel Disk Program represents a significant milestone for DMHT technology, realistic engine operation will require repeated loading of a DMHT nickel disk. For this reason, a cyclic spin test study of DMHT nickel disk technology has been proposed to start in fiscal year 2003 under NASA's Aviation Safety Program. The goal of this program will be to determine the fatigue failure mechanism in DMHT nickel disks, thereby demonstrating the reliability and safety of DMHT technology under repetitive loading conditions encountered in realistic engine operation.

Gayda, John

Rapid data acquisition and machine learning-assisted composition design of functionally graded alloys via wire arc additive manufacturing

Abstract The lack of high-quality datasets in materials science hinders artificial intelligence (AI)-driven alloy design. To address this challenge, wire arc additive manufacturing (WAAM) was employed to fabricate graded alloys, generating extensive data for machine learning (ML)-assisted property prediction. ML models were developed using high-throughput experiments, computational models, and genetic algorithm to optimize feature selection, successfully predicting hardness and porosity. The ML model demonstrated its efficacy by designing a gradient alloy with enhanced properties. However, scaling up revealed uncertainties in tensile property and porosity due to differences in size and thermal conditions between the designed alloy build and the gradient print used to construct the ML model. This underscores the need for uncertainty quantification and process optimization in WAAM-driven alloy design. Our work advances AI-integrated additive manufacturing, offering a rapid approach to exploring process–structure–property relationships and accelerating materials development.

Wang, Xin

DuctGPT: A Generative Transformer for Forward Screening of Ductile Refractory Multi-Principal Element Alloys

Designing ductile materials for extreme environments such as fusion reactors requires a deep understanding of the complex interplay between electronic structure, mechanical stability, and wide compositional space. Here, in this work, we introduce DuctGPT, a physics-informed, GPT-powered machine learning platform that enables rapid and accurate prediction of ductility across a wide range of refractory multi-principal element alloys (MPEAs). Trained on both experimental and high-fidelity computational data, DuctGPT integrates descriptors such as density of states at the Fermi level, elastic constants, and valence electron concentration to capture the fundamental mechanisms governing ductile versus brittle behavior. Using this framework, we screen over 1000 compositions in of body-centered cubic (BCC) MPEAs, including two new alloy classes, i.e., NbTa-rich (NbTa $>$ 50 at.%) NbTa-Ti-V and W-rich ($>$ 50 at.%) W-Ti-V MPEAs, to rapidly identify promising alloy compositions with enhanced ductility. Validation against experimental data confirms the model's ability to predict ductility with high fidelity and low uncertainty. By leveraging conversational AI and robust physical modeling, DuctGPT provides a blueprint for the next generation of alloy design assistants, enabling human-AI collaboration in the accelerated discovery of ductile, high-performance materials for fusion, aerospace, and advanced manufacturing.

AI/ML

Guided Design of Alloys

Using multiscale materials modeling, we are designing stronger alloys for the airspace applications. We focus on improving mechanical properties of materials at operating temperature. We employ basic science and fundamental theory for guided design of the next-generation alloys. Among the examples, we consider precipitated superalloys with a local phase transformation strengthening. We acknowledge funding by NASA’s Aeronautics Research Mission Directorate (ARMD) via Transformational Tools and Technologies (TTT) Project.

multiscale

Towards the holistic design of alloys with large language models

Large language models are very effective at solving general tasks, but can also be useful in materials design and extracting and using information from the scientific literature and unstructured corpora. For instance, in the domain of alloy design and manufacturing, they can expedite the materials design process and enable the inclusion of holistic criteria.

36 MATERIALS SCIENCE

Guided Design of Alloys: Part 2

Using multiscale materials modeling, we are designing stronger alloys for the airspace applications. We focus on improving mechanical properties of materials at operating temperature. We employ basic science and fundamental theory for guided design of the next-generation alloys. Among the examples, we consider precipitated superalloys with a local phase transformation strengthening. We acknowledge funding by NASA’s Aeronautics Research Mission Directorate (ARMD) via Transformational Tools and Technologies (TTT) Project.

Multiscale

Shape Memory Alloy Actuator Design: CASMART Collaborative Best Practices

Upon examination of shape memory alloy (SMA) actuation designs, there are many considerations and methodologies that are common to them all. A goal of CASMART's design working group is to compile the collective experiences of CASMART's member organizations into a single medium that engineers can then use to make the best decisions regarding SMA system design. In this paper, a review of recent work toward this goal is presented, spanning a wide range of design aspects including evaluation, properties, testing, modeling, alloy selection, fabrication, actuator processing, design optimization, controls, and system integration. We have documented each aspect, based on our collective experiences, so that the design engineer may access the tools and information needed to successfully design and develop SMA systems. Through comparison of several case studies, it is shown that there is not an obvious single, linear route a designer can adopt to navigate the path of concept to product. SMA engineering aspects will have different priorities and emphasis for different applications.

Benafan, Othmane

Guided Design of Alloys, Strengthened via Precipitation

Using theoretical and computational guidance, we are designing stronger middle and high-entropy alloys and superalloys for the airspace applications. We focus on improving mechanical properties of materials at cryogenic and elevated temperatures. Here we discuss basic science and fundamental theory that are being used for guided design of next-generation alloys. As examples, we consider the medium-entropy NiCoCr alloy and precipitated superalloys with a local phase transformation strengthening. This research is funded by NASA’s Aeronautics Research Mission Directorate (ARMD) via Transformational Tools and Technologies (TTT) Project.

Alloys

Design for Oxidation Resistance

Alloys intended for use in high-temperature environment rely on the formation of a continuous, compact, slow-growing oxide layer for oxidation and hot corrosion resistance. To be protective, this oxide layer must be chemically, thermodynamically stable. Successful alloy design for oxidative environment is best achieved by developing alloys that are capable of forming adherent scales of either alumina (Al2O3), chromia (Cr2O3), or silica (SiO2). In this article, emphasis has been placed on the issue related to high-temperature oxidation of superalloys used in gas turbine engine application. Despite the complexity of these alloys, optimal performance has been associated with protective alumina scale formation. As will be described below, both compositional makeup and protective coatings play key role in providing oxidation protection. Other high-temperature materials described include nickel and titanium aluminide intermetallics, refractory metal, and ceramics.

Smialek, James L.

Development of PWHT-Free, Reduced Activation Creep-Strength Enhanced Bainitic Ferritic Steel for Large-Scale Fusion Reactor Components

A compositional modification has been proposed to validate an alloy design which potentially eliminates the requirement of post-weld heat treatment (PWHT) while preserving the advantage of mechanical properties in a reduced activation bainitic ferritic steel based on Fe-3Cr-3W-0.2V- 0.1Ta-Mn-Si-C, in weight percent, developed at Oak Ridge National Laboratory in 2007. The alloy design includes reducing the hardness in the as-welded condition for improving toughness, while increasing the hardenability for preserving the high-temperature mechanical performance such as creep-rupture resistance in the original steel. To achieve such a design, a composition range with a reduced C content combining with an increased Mn content has been proposed and investigated. Newly proposed “modified” steel successfully achieved an improved impact toughness in the as- welded condition, while the creep-rupture performance across the weldments without PWHT demonstrated ~50% improvement of the creep strength compared to that of the original steel weldment after PWHT. The obtained results strongly support the validity of the proposed alloy design.

Yamamoto, Yukinori

Chemical trends favoring interstitial cluster formation in bcc high-entropy alloys from first-principles calculations

Achieving high strength and ductility is a common goal in structural alloy design. Body-centered cubic high-entropy alloys (HEAs) commonly highlight the conflict between these properties, with stronger alloys being brittle and vice versa. Recent reports suggest interstitial solutes can be used to overcome this trade-off, in some cases providing both strength and ductility enhancements. This effect has been correlated with interstitial cluster formation, although the conditions favoring their formation remain incompletely understood. Using first-principles calculations of solution energies and diffusivities, we provide insights into thermodynamic and kinetic factors favoring interstitial solute clusters. Among C, N and O solutes, O interstitials display most desirable diffusion kinetics. Further, the results highlight the importance of local composition fluctuations in the HEAs to enable the formation of clusters of appreciable size. The results are explained in terms of bonding and distortion trends across solutes and HEA compositions to provide guidelines for alloy design.

Borges, Pedro P P O

Experimental Verification of the Theoretical Prediction of the Phase Structure of a Ni-Al-Ti-Cr-Cu Alloy

The Bozzolo-Ferrante-Smith (BFS) method for alloys was applied to the study of NiAl-based materials to assess the effect of alloying additions on structure. Ternary, quaternary and even pentalloys based on NiAl with additions of Ti, Cr and Cu were studied and experimental verification of the theoretical predictions including the phase structure of a Ni-Al-Ti-Cr-Cu alloy is presented. Two approaches were used, Monte Carlo simulations to determine low energy structures, and analytical calculations of the energy of high symmetry configurations which give physical insight into preferred structures. The energetics for site occupancy in ternary and quaternary systems were calculated leading to an indirect determination of solubility limits at 0 K. Precipitate formation with information concerning structure and lattice parameter were also 'observed' computationally and the general characteristics of a Ni-Al-Ti-Cr-Cu alloy were correctly predicted. The results indicate that the BFS method for alloys can be a useful tool for alloy design and can be used to complement experimental alloy design programs.

Wilson, A.

Progress in the Modeling of NiAl-Based Alloys Using the BFS Method

The BFS method has been applied to the study of NiAl-based materials to assess the effect of alloying additions on structure. Ternary, quaternary and even pent-alloys based on Ni-rich NiAl with additions of Ti, Cr and Cu were studied. Two approaches were used, Monte Carlo simulations to determine ground state structures and analytical calculations of high symmetry configurations which give physical insight into preferred bonding. Site occupancy energetics for ternary and the more complicated case of quaternary additions were determined, and solubility limits and precipitate formation with corresponding information concerning structure and lattice parameter were also 'observed' computationally. The method was also applied to determine the composition of alloy surfaces and interfaces. Overall, the results demonstrate that the BFS method for alloys is a powerful tool for alloy design and with its simplicity and obvious advantages can be used to complement any experimental alloy design program.

Bozzolo, Guillermo

ULTIMATE Phase I project: Development of Niobium-based alloys for Turbine Applications

Current Ni-based alloys used in turbine blade applications are operating at 1100°C which is approximately 90% of the solidus of Ni-based alloys. Further increases in temperature can be achieved only through the use of alloys with higher solidus temperatures such as refractory alloys which include Mo, Nb, W, Ta alloys. Niobium has a unique combination of physical properties that include a high melting point (2468°C), lowest density (8.57 g/cc), and the lowest modulus amongst refractory alloys, a good thermal conductivity that increases from 45 W/mK at room temperature to 62 W/mK at 1093°C, good ductility with fabricability using traditional techniques, high strength, good creep resistance, and general chemical inactivity. Hence niobium alloys offer many advantages for use at the desired temperature of 1300°C. One of the major deterrents to the use of niobium and its alloys at high temperatures is achieving good oxidation resistance. In addition, achieving balanced properties of room temperature strength, ductility, fracture toughness, high temperature strength, and creep resistance required for 1300°C operation at a density of 9 g/cm 3 is extremely challenging since the addition of W which is a potent strengthener increases the density of the alloy. This project seeks to enable the development of a tri-layered turbine blade that can operate continuously at 1300°C with the core of the turbine blade providing good creep resistance, the second layer providing improved oxidation resistance over the core layer, and the third layer being an environmental barrier providing oxidation resistance. The objective of this Phase 1 project was to use computational modeling and advanced characterization tools to develop two classes of Nb alloys which could be used as the core layer and the transition layer. The first class of alloys developed in this project was a Nb-alloy designed to serve as the turbine blade core with excellent room temperature strength, ductility, and high temperature strength and creep resistance required for 1300°C operation. These alloys were designed to contain sufficient solute solution strengthening elements (W, Mo) but constrained by the density of alloy, along with the addition of elements such as Zr, Hf, Ta, C, and N to achieve a combination of primary and secondary carbide precipitation. A total of 38 “creep-resistant” alloys were designed and cast during the duration of the project. Processing techniques were developed to keep the oxygen contents as low as possible with typical oxygen contents less than 250 ppm. One alloy with a density of < 9.5 g/cc was successful in meeting the Phase 2 intermediate project mechanical property milestone requirements of room temperature ductility greater than 1.0%, 1200°C creep strain of less than 3% at 150 MPa and 100 hours in vacuum, and with solidus temperature greater than 1500ᵒC. The second class of alloys was designed to be a Nb-rich alloy with improved oxidation resistance when compared to the core layer and was designed specifically to be compatible with the core layer and the outer environmental barrier coating. This Nb- alloy will be specifically designed to be microstructurally stable at these temperatures when in contact with the core alloy and provide protection against catastrophic failure of the barrier coating. Two alloys were cast and processed but further development was discontinued to focus on the development of the creep resistant alloy.

36 MATERIALS SCIENCE

An Introduction to the BFS Method and Its Use to Model Binary NiAl Alloys

We introduce the Bozzolo-Ferrante-Smith (BFS) method for alloys as a computationally efficient tool for aiding in the process of alloy design. An intuitive description of the BFS method is provided, followed by a formal discussion of its implementation. The method is applied to the study of the defect structure of NiAl binary alloys. The groundwork is laid for a detailed progression to higher order NiAl-based alloys linking theoretical calculations and computer simulations based on the BFS method and experimental work validating each step of the alloy design process.

Bozzolo, Guillermo