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Explore NASA and DOE materials research. Search alloys, composites and material properties, then open the original technical report for test conditions and results.

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Magnetic Damping of Solid Solution Semiconductor Alloys

The objective of this study is to: (1) experimentally test the validity of the modeling predictions applicable to the magnetic damping of convective flows in electrically conductive melts as this applies to the bulk growth of solid solution semiconducting materials; and (2) assess the effectiveness of steady magnetic fields in reducing the fluid flows occurring in these materials during processing. To achieve the objectives of this investigation, we are carrying out a comprehensive program in the Bridgman and floating-zone configurations using the solid solution alloy system Ge-Si. This alloy system has been studied extensively in environments that have not simultaneously included both low gravity and an applied magnetic field. Also, all compositions have a high electrical conductivity, and the materials parameters permit reasonable growth rates. An important supporting investigation is determining the role, if any, that thermoelectromagnetic convection (TEMC) plays during growth of these materials in a magnetic field. TEMC has significant implications for the deployment of a Magnetic Damping Furnace in space. This effect will be especially important in solid solutions where the growth interface is, in general, neither isothermal nor isoconcentrational. It could be important in single melting point materials, also, if faceting takes place producing a non-isothermal interface. In conclusion, magnetic fields up to 5 Tesla are sufficient to eliminate time-dependent convection in silicon floating zones and possibly Bridgman growth of Ge-Si alloys. In both cases, steady convection appears to be more significant for mass transport than diffusion, even at 5 Tesla in the geometries used here. These results are corroborated in both growth configurations by calculations.

Szofran, Frank R.↗

Optical Spectroscopy of New Materials

Composites are currently used for a rapidly expanding number of applications including aircraft structures, rocket nozzles, thermal protection of spacecraft, high performance ablative surfaces, sports equipment including skis, tennis rackets and bicycles, lightweight automobile components, cutting tools, and optical-grade mirrors. Composites are formed from two or more insoluble materials to produce a material with superior properties to either component. Composites range from dispersion-hardened alloys to advanced fiber-reinforced composites. UV/VIS and FTIR spectroscopy currently is used to evaluate the bonding between the matrix and the fibers, monitor the curing process of a polymer, measure surface contamination, characterize the interphase material, monitor anion transport in polymer phases, characterize the void formation (voids must be minimized because, like cracks in a bulk material, they lead to failure), characterize the surface of the fiber component, and measure the overall optical properties for energy balances.

White, Susan M.↗

Active learning of ternary alloy structures and energies

Abstract Machine learning models with uncertainty quantification have recently emerged as attractive tools to accelerate the navigation of catalyst design spaces in a data-efficient manner. Here, we combine active learning with a dropout graph convolutional network (dGCN) as a surrogate model to explore the complex materials space of high-entropy alloys (HEAs). We train the dGCN on the formation energies of disordered binary alloy structures in the Pd-Pt-Sn ternary alloy system and improve predictions on ternary structures by performing reduced optimization of the formation free energy, the target property that determines HEA stability, over ensembles of ternary structures constructed based on two coordinate systems: (a) a physics-informed ternary composition space, and (b) data-driven coordinates discovered by the Diffusion Maps manifold learning scheme. Both reduced optimization techniques improve predictions of the formation free energy in the ternary alloy space with a significantly reduced number of DFT calculations compared to a high-fidelity model. The physics-based scheme converges to the target property in a manner akin to a depth-first strategy, whereas the data-driven scheme appears more akin to a breadth-first approach. Both sampling schemes, coupled with our acquisition function, successfully exploit a database of DFT-calculated binary alloy structures and energies, augmented with a relatively small number of ternary alloy calculations, to identify stable ternary HEA compositions and structures. This generalized framework can be extended to incorporate more complex bulk and surface structural motifs, and the results demonstrate that significant dimensionality reduction is possible in thermodynamic sampling problems when suitable active learning schemes are employed.

Chemistry↗

Increasing the mobility and power-electronics figure of merit of AlGaN with atomically thin AlN/GaN digital-alloy superlattices

Alloy scattering in random AlGaN alloys drastically reduces the electron mobility and, therefore, the power-electronics figure of merit. As a result, Al compositions greater than 75% are required to obtain even a twofold increase in the Baliga figure of merit compared to GaN. However, beyond approximately 80% Al composition, donors in AlGaN undergo the DX transition, which makes impurity doping increasingly more difficult. Moreover, the contact resistance increases exponentially with the increase in Al content, and integration with dielectrics becomes difficult due to the upward shift of the conduction band. Atomically thin superlattices of AlN and GaN, also known as digital alloys, are known to grow experimentally under appropriate growth conditions. These chemically ordered nanostructures could offer significantly enhanced figure of merit compared to their random alloy counterparts due to the absence of alloy scattering, as well as better integration with contact metals and dielectrics. In this work, we investigate the electronic structure and phonon-limited electron mobility of atomically thin AlN/GaN digital-alloy superlattices using first-principles calculations based on density-functional and many-body perturbation theory. The bandgap of the atomically thin superlattices reaches 4.8 eV, and the in-plane (out-of-plane) mobility is 369 (452) cm 2 V -1 s -1 . Using the modified Baliga figure of merit that accounts for the dopant ionization energy, here we demonstrate that atomically thin AlN/GaN superlattices with a monolayer sublattice periodicity have the highest modified Baliga figure of merit among several technologically relevant ultra-wide bandgap materials, including random AlGaN, β-Ga 2 O 3 , cBN, and diamond.

36 MATERIALS SCIENCE↗

Effect of Composite Substrates on the Mechanical Behavior of Brazed Joints in Metal-Composite System

Advanced composite components are being considered for a wide variety of demanding applications in aerospace, space exploration, and ground based systems. A number of these applications require robust integration technologies to join dissimilar materials (metalcomposites) into complex structural components. In this study, three types of composites (C-C, C-SiC, and SiC-SiC) were vacuum brazed to commercially pure Ti using the active metal braze alloy Cusil-ABA (63Ag-35.3Cu-1.75Ti). Composite substrates with as fabricated and polished surfaces were used for brazing. The microstructure and composition of the joint, examined using scanning electron microscopy (SEM) coupled with energy dispersive spectroscopy (EDS), showed sound metallurgical bonding in all systems. The butt strap tensile (BST) test was performed on bonded specimens at room and elevated temperatures. Effect of substrate composition, interlaminar properties, and surface roughness on the mechanical properties and failure behavior of joints will be discussed.

Singh, M.↗

The effect of local chemical ordering on Frank-Read source activation in a refractory multi-principal element alloy

In this work, we investigate the operation of Frank-Read (FR) sources in a refractory multi-principal element alloy (MPEA). Simulations of discrete dislocation motion in MPEAs is enabled by the development of a phase field dislocation dynamics model that treats the atomic-scale fluctuations in lattice energies across the glide plane, present due to local ordering in the chemical composition within the nominally random MPEA atomic structure. We consider, through simulation, a range of length scales over which ordering occurs, varying from short-range lengths, a few times dislocation core width, to long-range lengths, an order of magnitude longer than the core. Characteristic of this body-centered cubic MPEA, the simulations also include screw/edge character dependence in glide resistance, as informed by atomic scale simulation. The critical stresses to activate the source for the same source size are found to be statistically distributed, as a direct consequence of the underlying variation in lattice energy. Furthermore, analysis of critical state for activating edge and screw FR sources in the MPEA reveals that FR source operation occurs via a two-step mechanism, involving athermal kink-pair formation, unlike the conventional FR source operation in a material with no composition fluctuations. This mechanism lowers the average critical stress required to activate the FR source and causes the statistical dispersion in critical stress to depend on the range of composition ordering. More importantly, it leads to a more severe dependence of source strength on FR source length than predicted by line tension alone.

36 MATERIALS SCIENCE↗

Correlated 4D-STEM and EDS for the classification of fine Beta-precipitates in aluminum alloy AA 6063-T6

Tuning the properties of aluminum alloys AA 6063-T6 involves artificial aging to induce precipitate formation, particularly β’’ and β’ phases. Previous characterization challenges due to their similar appearance are addressed here by correlating 4D scanning transmission electron microscopy (4DSTEM) and energy-dispersive spectroscopy (EDS) mapping. This approach allows us to analyze the structure and composition of precipitates individually, overcoming limitations of conventional imaging and structural analysis techniques when the precipitates appear simultaneously, as is often the case. We present detailed characterizations of needle-shaped Beta precipitates, revealing distinct diffraction patterns (DPs) and compositional differences. The method's applicability extends beyond aluminum alloys, offering a promising strategy for complex composite material characterization with multimodal scanning transmission electron microscopy (STEM) techniques.

36 MATERIALS SCIENCE↗

Mechanistic understanding of speciated oxide growth in high entropy alloys

Abstract Complex multi-element alloys are gaining prominence for structural applications, supplementing steels, and superalloys. Understanding the impact of each element on alloy surfaces due to oxidation is vital in maintaining material integrity. This study investigates oxidation mechanisms in these alloys using a model five-element equiatomic CoCrFeNiMn alloy, in a controlled oxygen environment. The oxidation-induced surface changes correlate with each element’s interactive tendencies with the environment, guided by thermodynamics. Initial oxidation stages follow atomic size and redox potential, with the latter becoming dominant over time, causing composition inversion. The study employs in-situ atom probe tomography, transmission electron microscopy, and X-ray absorption near-edge structure techniques to elucidate the oxidation process and surface oxide structure evolution. Our findings deconvolute the mechanism for compositional and structural changes in the oxide film and will pave the way for a predictive design of complex alloys with improved resistance to oxidation under extreme conditions.

36 MATERIALS SCIENCE↗

Determination of Location-Specific Solidification Cracking Susceptibility for a Mixed Dissimilar Alloy Processed by Wire-Arc Additive Manufacturing

Solidification cracking is a major obstacle when joining dissimilar alloys using additive manufacturing. In this work, location-specific solidification cracking susceptibility has been investigated using an integrated computational materials engineering (ICME) approach for a graded alloy formed by mixing P91 steel and Inconel 740H superalloy. An alloy mixture of 26 wt.% P91 and 74 wt.% Inconel 740H, with high configurational and total entropy, was fabricated using wire arc additive manufacturing. Microstructure characterization revealed intergranular solidification cracks in the FCC matrix, which increased in length along with the enrichment of Nb (~27 to 56 wt.%) and Cu (~87 wt.%) in the middle and top regions. DICTRA simulations to model location-specific solidification cracking susceptibility showed that the top region with the highest cooling rate (270 K/s) has the highest solidification cracking susceptibility in comparison with the middle and bottom regions. This is in good agreement with the experimentally observed varying crack length. From Scheil simulations, it was deduced that enrichment of Nb and Cu affected the solidification range as high as ~77%, in comparison with the matrix composition. The overall solidification cracking susceptibility and freezing range was highest for the 26 wt.% P91 alloy amongst the mixed compositions between P91 steel and 740H superalloy, proving that solidification characteristics play a major role in alloy design for additive manufacturing.

20 FOSSIL-FUELED POWER PLANTS↗

Charge transfer in transition metal dichalcogenide alloy heterostructures

Two-dimensional (2D) transition metal dichalcogenides and their alloys provide a unique platform for exploring interlayer charge transfer in van der Waals heterostructures. These structures are crucial for advancing the next-generation electronic, optoelectronic, and quantum devices. In this study, interlayer charge transfer in heterostructures composed of MoSe 2 , MoS 2 , and their alloy, MoSSe, is investigated using transient absorption, Raman, and photoluminescence spectroscopy. The experimental results reveal that electron transfer in the alloy heterostructures, MoSSe/MoS 2 and MoSe 2 /MoSSe, is faster than in the pure MoSe 2 /MoS 2 heterostructure, despite the smaller conduction band offsets of the alloy systems. Raman spectroscopy confirms that alloy layers support phonon modes matching those of the pure layers, aligning with theoretical models of phonon-assisted interlayer charge transfer. Additionally, efficient hole transfer is observed in both alloy heterostructures. The findings suggest transition metal dichalcogenides alloys can be used for engineering heterostructures with desired charge transfer properties. By leveraging compositionally tunable band gaps and optical properties, alloy-based heterostructures offer opportunities for designing tailored materials suitable for diverse applications such as photodetectors, light-emitting devices, and flexible electronics. Furthermore, the ultrafast charge transfer observed in these systems provides insights into the fundamental mechanisms governing interlayer interactions in 2D materials.

2D material↗

Automated path planning for functionally graded materials considering phase stability and solidification behavior: Application to the Mo-Nb-Ta-Ti system

Functionally graded materials have the potential to improve upon monolithic parts by locally tailoring compositions to surrounding environmental conditions. Difficulties arise when designing composition gradients as incompatible materials can result in detrimental phase formation and failure of the gradient joint. As many alloys are multi-component, designing a composition gradient free of detrimental phases is difficult due to the large composition space available to explore. A framework was developed that improves the path planning algorithm and surrogate models with adaptive sampling schemes specific to their problem definition. A cost function was created to minimize a property (such as cracking susceptibility) along a path. This framework was applied to the Mo-Nb-Ta-Ti system as a case study to showcase the efficiency in building the surrogate models and in iterating different optimal compositionally graded paths.

36 MATERIALS SCIENCE↗

Warpage-Resistant, Under-Extrusion-Free, High-Surface-Quality Additive Manufacturing Process for Polyethylene-Based Composite Radiation Shielding Material

Polyethylene (PE) is one of the best shielding materials for primary space radiation due to its high hydrogen content. For effective secondary neutron shielding, boron-rich fillers are incorporated to enhance performance. The semicrystalline nature and high thermal expansion coefficient of PE impede its adoption for in situ additive manufacture in space via the fused deposition modeling (FDM) 3D printing. Here, we developed an optimized PE blend to mitigate the effects of under-extrusion and warpage. Guided by studies on extrusion and warpage, we developed an optimal set of printing parameters for the proposed PE blend. The optimum PE blend─both in its pure form and when doped with fillers─has been tested on different FDM printers. The printed structures exhibit high and uniform density, smooth surfaces, no warpage, and competitive mechanical properties. The FDM-printed plates demonstrate efficient shielding from thermal neutrons, predicted via modeling and confirmed experimentally using extended Q-range small-angle neutron scattering.

additive manufacturing↗

Gradient Composition Sol-Gel Materials

The STARDUST Mission, which launched in February of 1999, plans to fly through the coma of Comet 81P/Wild2, capture some of the material ejected by the comet, and return the samples to Earth in 2006.

Sol-Gel↗

Vacuum Melt Infiltration of 2D Tyranno SA3® Ceramic Matrix Composites with Cr-25(wt.%)Si Intermetallic Alloy

The potential and limitations of vacuum melt infiltrating woven preforms of 2D Tyranno SA3 fibers with Cr-25(wt.%)Si alloy were investigated. Microstructural observations revealed that the volume fractions of open voids infiltrated by the molten metal varied between 3.7 and 10.0% irrespective of the magnitudes of the melt infiltration temperatures and hold times, which was attributed in part to substantial volatilization of the silicide charge based on computational thermodynamics. In the absence of experimental data, poor wettability of the melt could not be ruled out unambiguously. Other possible reasons are carefully examined and discarded. Ring microstructures were observed around the fibers mainly at the outer surfaces of the infiltrated preform, where the BN and chemical vapor infiltrated SiC coatings had vaporized in the high vacuum environment. In contrast, they were absent in the interior of the preform, where the coatings were still present with no evidence of molten metal attack of the coatings. Details of thermodynamic calculations are presented to confirm the volatilization of the BN and CVI SiC coatings thereby resulting in the ring microstructures due to the filling of voids by the molten silicide. It is concluded that successful melt infiltration of Tyranno SA3® with Cr-25%Si can be only achieved under sufficient positive pressure to prevent volatilization of the coatings and the molten silicide.

Cr-25%Si↗

Ultra-rapid, physics-based development pathway for reactor-relevant RF antenna materials

This paper presents a rapid, atomistically-informed, experimental development pathway for fusion reactor-relevant radio frequency (RF) antenna materials in the Cu-Cr-(Nb,Al,Zr) composition system, with the goal of improving upon GRCop-84. RF antennas in a tokamak fusion reactor will face a unique set of challenges as both structural and functional materials. The desired material must simultaneously achieve and maintain high electrical conductivity, high strength, high thermal conductivity, resist high temperatures, possess low nuclear activation, and incur low damage due to neutron bombardment. The GRCop-84 alloy serves as a starting point for iterative improvement, with the desire to reduce or eliminate Nb from the material to minimize nuclear activation. The rapid development pathway makes use of a multi-target combinatorial thick film sputtering process to produce full ternary phase diagrams on a Si wafer substrate. Transient grating spectroscopy (TGS), a laser-ultrasonic method, will determine spatially-varying thermo-elastic properties, while four terminal electrical conductivity measurements will map out the best per- forming regions of the sample for in-depth study at larger length scales. High energy proton and self-ion irradiation emulates the effects of neutron damage on the thermal/electric properties. With rapid turnaround time (∼days) in terms of mapping radiation damage-induced material property changes in the full ternary system, these techniques allow rapid iteration towards an optimal material, testing hundreds of nearby compositions in the time it took to test one. Focused testing of larger, single composition samples (produced in an arc furnace or by laser sintering) provides data on structural and high power RF properties, and validates our thick-film based workflow.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Potential High-Temperature Shape-Memory Alloys Identified in the Ti(Ni,Pt) System

"Shape memory" is a unique property of certain alloys that, when deformed (within certain strain limits) at low temperatures, will remember and recover to their original predeformed shape upon heating. It occurs when an alloy is deformed in the low-temperature martensitic phase and is then heated above its transformation temperature back to an austenitic state. As the material passes through this solid-state phase transformation on heating, it also recovers its original shape. This behavior is widely exploited, near room temperature, in commercially available NiTi alloys for connectors, couplings, valves, actuators, stents, and other medical and dental devices. In addition, there are limitless applications in the aerospace, automotive, chemical processing, and many other industries for materials that exhibit this type of shape-memory behavior at higher temperatures. But for high temperatures, there are currently no commercial shape-memory alloys. Although there are significant challenges to the development of high-temperature shape-memory alloys, at the NASA Glenn Research Center we have identified a series of alloy compositions in the Ti-Ni-Pt system that show great promise as potential high-temperature shape-memory materials.

Noebe, Ronald D.↗

NASA's Composite Overwrap Lessons Learned on 40k Thrust Chamber Assemblies

Filament wound carbon fiber/polymer composite overwraps combined with additively manufactured (AM) copper alloy combustion chambers are a critical part of NASA’s Rapid Analysis and Manufacturing Propulsion Technology (RAMPT) project. The composite overwrap is a high strength-to-weight material and allows for significant weight reduction of the high-pressure thrust chamber assembly, reduction of overall cost, and reduced fabrication time while offering structural robustness. Integrated AM/composite overwrap chamber assemblies using 2,000 lbf (2k) and 7,000 lbf (7k) thrust were successfully hot fire tested at NASA Marshall Space Flight Center (MSFC). These assemblies allowed the team to learn lessons related to the design, analysis, and manufacturing of these integrated assemblies. A final goal of the RAMPT project is to design and test a 40,000 lbf (40k) thrust chamber assembly. The40k chamber presented the team several new challenges including an integral inlet port in the main body of the composite overwrap. Through multiple iterations of manufacturing techniques, varied materials, and Non-Destructive Evaluations (NDE), many lessons were learned to obtain a final design solution that would not only allow for the interrupted port inlet but also allow for sufficient material margins for the most critically stressed part of the chamber. This paper will cover the manufacturing techniques exploring fabric designs to help subsidize the coverage in the areas left bare by the inlet port during the filament winding process and custom tooling needed for the final full chamber processing. The original material choice of bismaleimide (BMI) 5250-4 from the 7k chamber performed well for the extreme environment of hot fire testing but proved to be difficult with the increased scale and interrupted port design of the 40kchamber. Discussion in this paper will cover these changes, including evaluation of the design, comparison to the prior 2k and 7k designs, and show the final hardware that will be tested. One primary goal of this work and RAMPT project is to provide this development process and data to industry for infusion into future engine designs.

Filament Wound↗

Tribological Behavior of Structural Materials in High Temperature Helium Gas-Cooled Reactor Environments

The High-Temperature Gas-cooled Reactor (HTGR) is a Generation IV concept designed to produce electricity and hydrogen at high efficiencies via high operating temperatures (700 °C or higher). Helium, the primary coolant for HTGRs, contains impurities (e.g., CO, H2O and CH4) that can induce corrosion reactions at high temperatures such as oxidation and (de)carburization, which in turn can affect the tribological behavior of components. Incoloy® 800HT (Ni-Fe-Cr austenitic solid-solution alloy) and Inconel® 617 (Ni-Cr-Co-Mo solid-solution alloy) are two high-temperature superalloys currently selected as candidate structural materials for the HTGR. The objective of this study is to evaluate the high-temperature tribological performance of these two candidate alloys after conditioning them in HTGR environments. Four regimes of corrosion were considered: a non-conditioned regime (Regime I), an oxidizing regime (Regime II), a carburizing and oxidizing regime (Regime III), and a carburizing regime (Regime IV). To simulate oxidation in HTGR, samples were conditioned for 22 days at elevated temperatures in a once-through helium loop with 4 ppmv H2O. Carburization of the samples was achieved by the commercial process, Kolsterising®. In addition, two surface treatments – shot peening and aluminization – were considered as potential routes of improving the alloys’ wear resistance. Surface-treated samples were tested both before and after conditioning in Regime II. Tribological testing of the samples was performed via a pin-on-disk tribometer at elevated temperatures in ambient environment – 650 and 750°C for 800HT; 850 and 900°C for 617 – with applied loads of 1N, 2N and 5N. The wear behavior of the alloys was assessed via wear volume and friction coefficient measurements, supported by morphological, structural and compositional analyses of the wear tracks. Conditioning the samples in Regime II led to the formation of a chromium oxide on both alloys. This protective scale increased the wear resistance compared to that of as-received samples (Regime I) due to the formation of a compacted ‘glaze’ oxide layer during sliding, rendering the wear track nearly undistinguishable from the unworn background and resulting in wear volumes below the detection limits of the measurement technique. The variability of the friction coefficients of the conditioned samples was also considerably reduced compared to that of the as-received samples due to the glaze layer. Additionally, the initial friction coefficients of the samples conditioned in Regime II were reduced by 45% and 54% compared to those of as-received samples for alloys 800HT and 617, respectively. Carburizing the samples (Regime IV) hardened the surfaces of both alloys and promoted the formation of an iron oxide on 800HT during tribological testing, thereby increasing the wear resistance and decreasing the initial friction coefficient by a factor of two compared to those of as-received 800HT. Alloy 617 exhibited an enhanced wear resistance but similar initial friction coefficient compared to those of as-received samples due to the increased surface hardness. The Mn-Cr oxide developed during Regime III conditioning of 800HT did not develop a glaze layer during tribotesting, even at lower loads. Thus, it was not as protective as the oxide produced during conditioning of Regime II samples, leading to lower wear resistance of 800HT in Regime III compared to that measured in the Regime II condition. 800HT benefited from the aluminization surface treatment, particularly before conditioning in Regime II, due to the promotion of a wear-resistant aluminum oxide layer during testing and the increase in surface hardness due to the presence of a FeAl intermetallic phase. The presence of this phase caused an order-of-magnitude reduction in wear volumes compared to those of as-received 800HT. Aluminization of 617 decreased its wear resistance, particularly after conditioning in Regime II, due to significant wear of the aluminum oxide via a ceramic wear mechanism. This aluminum oxide was removed during sliding, causing the wear volumes to increase by a factor of five compared to those of 617 conditioned in Regime II. Shot-peened 800HT exhibited a tribological behavior similar to that of as-received 800HT, despite an enhancement in the rate of chromium oxide formation. Shot-peened 800HT conditioned in Regime II showed lower wear resistance compared to that of 800HT conditioned in Regime II due to the poor adhesion between the oxide and the underlying metal, preventing the formation of the glaze layer during sliding. Shot peening of 617 increased its wear resistance at higher load, reducing worn volumes by 60% compared to that measured with as-received 617. Tribotesting of shot-peened 617 in Regime II revealed that the glaze-oxide layer was formed at every load, resulting in negligible wear, similar to what was observed from testing 617 after conditioning in Regime II. Overall, alloy 617 exhibited tribologically superior behavior compared to that of alloy 800HT, as demonstrated by its lower friction coefficients and its order-of-magnitude lower wear volumes when measurable.

36 MATERIALS SCIENCE↗