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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
NASA NTRS2004

Energetics of Single Substitutional Impurities in NiTi

Shape-memory alloys are of considerable current interest, with applications ranging from stents to Mars rover components. In this work, we present results on the energetics of single substitutional impurities in B2 NiTi. Specifically, energies of Pd, Pt, Zr and Hf impurities at both Ni and Ti sites are computed. All energies are computed using the CASTEP ab initio code, and, for comparison, using the quantum approximate energy method of Bozzolo, Ferrante and Smith. Atomistic relaxation in the vicinity of the impurities is investigated via quantum approximate Monte Carlo simulation, and in cases where the relaxation is found to be important, the resulting relaxations are applied to the ab initio calculations. We compare our results with available experimental work.

Binary Alloys↗
DOE OSTI2026

A strong and ductile Super Kovar alloy via fully coherent nanoprecipitates

Emerging high-precision technologies demand materials with exceptional dimensional stability and mechanical robustness, as even microscopic thermomechanical deformation can cause functional failure. However, a fundamental trilemma exists: High strength, ductility, and low thermal expansion are mutually exclusive, as strengthening-induced lattice distortions compromise the spin-lattice coupling, which is essential for low thermal expansion. Here, we overcome this trilemma by designing “Super Kovar,” an Fe-Ni-Co-Al-Ta alloy, featuring fully coherent nanoprecipitates. It unifies a 1.0-gigapascal ultimate tensile strength and ∼39% elongation with a Kovar-grade thermal expansion of 3.81 × 10−6 K−1 (100 to 410 K). The key is a dense dispersion of L12 nanoprecipitates that form an almost strain-free coherent interface with the ferromagnetic matrix. Beyond providing precipitation strengthening, these coherent interfaces suppress intrinsic phonons of nanoprecipitates via elastic coupling while avoiding magnetic domain pinning to preserve the Invar effect of the matrix. This reduces the thermal expansion of the precipitates by 56% and achieves a fourfold enhancement in the strength-ductility product, establishing a paradigm for dimensionally stable, ultrastrong alloys.

Yu, Chengyi [University of Science and Technology ↗
NASA NTRS2003

Analysis of Surface and Bulk Behavior in Ni-Pd Alloys

The most salient features of the surface structure and bulk behavior of Ni-Pd alloys have been studied using the BFS method for alloys. Large-scale atomistic simulations were performed to investigate surface segregation profiles as a function of temperature, crystal face, and composition. Pd enrichment of the first layer was observed in (111) and (100) surfaces, and enrichment of the top two layers occurred for (110) surfaces. In all cases, the segregation profile shows alternate planes enriched and depleted in Pd. In addition, the phase structure of bulk Ni-Pd alloys as a function of temperature and composition was studied. A weak ordering tendency was observed at low temperatures, which helps explain the compositional oscillations in the segregation profiles. Finally, based on atom-by-atom static energy calculations, a comprehensive explanation for the observed surface and bulk features will be presented in terms of competing chemical and strain energy effects.

Ordering↗
NASA NTRS2026

List of Commercial and Advanced Developmental Niobium-Based Alloys of the Space Age

This report compiles a list of commercial and developmental niobium-based alloys developed during the Space Age (late 1950s through mid-1970s) for extreme-temperature applications, including rocket engine thrust chambers, hypersonic re-entry thermal protection systems, and space fission reactor loops. Niobium (Nb) was widely pursued because it provided the lowest density (~8.6 g/cc) among the primary refractory metals, a high melting temperature (~2470°C), exceptional low-temperature ductility, good formability, and compatibility with liquid alkali metals. An evaluation of physical metallurgy mechanisms, focusing on solid-solution strengthening via heavy refractory solutes (W, Mo, Ta), dual-purpose reactive solutes (Hf, Zr, Ti), and dispersion strengthening using carbides, nitrides, and oxides is presented. Additionally, the report compares Western and Soviet Union metallurgical approaches, explaining how supply chain factors and manufacturing infrastructure influenced element selection, interstitial chemistry, and alloy identification/naming conventions. Cataloging these historical alloy chemical compositions serves as a foundational reference for modern alloy additive manufacturing, thermodynamic CALPHAD modeling, and machine-learning discovery pipelines for next-generation extreme-environment niobium-based alloys.

Physical Metallurgy↗
NASA NTRS2005

Characterization of Ternary NiTiPt High-Temperature Shape Memory Alloys

Pt additions substituted for Ni in NiTi alloys are known to increase the transformation temperature of the alloy but only at fairly high Pt levels. However, until now only ternary compositions with a very specific stoichiometry, Ni 50-x Pt x Ti 50 , have been investigated and then only to very limited extent. In order to learn more about this potential high-temperature shape memory alloy system, a series of over twenty alloys along and on either side of a line of constant stoichiometry between NiTi and TiPt were arc melted, homogenized, and characterized in terms of their microstructure, transformation temperatures, and hardness. The resulting microstructures were examined by scanning electron microscopy and the phase compositions quantified by energy dispersive spectroscopy. "Stoichiometric" compositions along a line of constant stoichiometry between NiTi to TiPt were essentially single phase but any deviations from a stoichiometry of (Ni,Pt) 50 Ti 50 resulted in the presence of at least two different intermetallic phases, depending on the overall composition of the alloy. Essentially all alloys, whether single or two-phase, still under went a martensitic transformation. It was found that the transformation temperatures were depressed with initial Pt additions but at levels greater than 10 at.% the transformation temperature increased linearly with Pt content. Also, the transformation temperatures were relatively insensitive to alloy stoichiometry within the range of alloys examined. Finally, the dependence of hardness on Pt content for a series of Ni 50-x Pt x Ti 50 alloys showed solution softening at low Pt levels, while hardening was observed in ternary alloys containing more than about 10 at.% Pt. On either side of these "stoichiometric" compositions, hardness was also found to increase significantly.

Transformation Temperatures↗
NASA NTRS2010

Precipitation Hardenable High Temperature Shape Memory Alloy

A composition of the invention is a high temperature shape memory alloy having high work output, and is made from (Ni+Pt+Y) x Ti (100-x) wherein x is present in a total amount of 49-55 atomic % Pt is present in a total amount of 10-30 atomic %, Y is one or more of Au, Pd. and Cu and is present in a total amount of 0 to 10 atomic %. The alloy has a matrix phase wherein the total concentration of Ni, Pt, and the one or more of Pd. Au, and Cu is greater than 50 atomic %.

Ronald D Noebe↗
DOE OSTI2026

Evaluation of high-temperature properties of binary, eutectic Ni-X alloys (X = B, Ca, Ce, La, Y, Zr)

We investigated the high-temperature behavior of binary eutectic nickel-base alloys with low-solubility elements, towards developing alloys with new combinations of structural and functional (e.g. thermal or corrosion) properties. Based on thermodynamic screening, we cast binary near-eutectic Ni-B, Ni-Ca, Ni-Ce, Ni-La, Ni-Y, and Ni-Zr alloys and characterized their microstructure and high-temperature properties. All alloys (except Ni-Ca) contain a fine eutectic microstructure, containing submicron alternating lamellae of γ-Ni and continuous intermetallic phases. The eutectic microstructure did not significantly coarsen at 700°C (except for Ni-B), but measurably coarsened in all alloys at 900°C, most quickly in Ni-B, followed by Ni-Ce, Ni-La, Ni-Y, and Ni-Zr. Coarsening in these alloys occurs by fault migration; diffusion within the intermetallic, and its interfacial energy, likely influence coarsening kinetics. At room-temperature, all alloys possess negligible ductility due to the continuous, brittle intermetallic. At 700 and 900°C, the Ni-Zr alloy showed the best combination of strength and ductility. Oxidation experiments at 900°C on Ni-Zr and Ni-Ce revealed heavy internal oxidation of the continuous intermetallic phase. Overall, the Ni-Zr alloy showed good high-temperature coarsening resistance and strength, though ductility and oxidation resistance require improvement for use in structural applications. Possible routes for improving alloy properties via additive manufacturing are discussed.

Ekaputra, Clement [ORNL] (ORCID:0000000307166479)↗
DOE OSTI2025

Chromium versus Aluminum: Impact of Nickel Alloy Composition and Interfacial Kinetics on High-Temperature Passivating Oxide Formation

High-temperature corrosion resistance depends critically on the formation of a passivating surface oxide, which is highly sensitive to alloy composition and structure. Such details often elude experimental investigation, and simplified analytical models fail to provide a truly chemical view of passivating oxide evolution. Here, we explicitly compare the fundamental chemistry of Cr and Al as prototypical passivating elements in Ni alloys by directly simulating competing reaction and diffusion processes within the oxide film using kinetic Monte Carlo and density functional theory. We find that the origin and expression of passivating behavior during early-stage thermal oxidation are qualitatively different between the two alloy systems. Ni–Cr alloys feature a sudden onset of passivation associated with a sharp phase transition upon Cr enrichment that directly couples oxidation kinetics to phase transformation behavior. In contrast, Ni–Al alloys display more continuous oxide phase variation with Al enrichment, ultimately resulting in a lower composition threshold for passivation and a thinner passivating layer. In addition, we elucidate the nonobvious role of metal exchange within the alloy near the oxide boundary, which fundamentally alters film composition and passivating behavior. Furthermore, our results have key implications for engineering improved corrosion-resistant alloys, both in terms of compositional variation and processing.

Alloys↗
NASA NTRS1994

Crystal Growth of Selected II-VI Semiconducting Alloys By Directional Solidification

A Hg 0.84 Zn 0.16 Te alloy crystal was back-melted and partially resolidified during the first United States Microgravity Laboratory (USML-1) mission in the Marshall Space Flight Center's Crystal Growth Furnace. The experiment was inadvertently terminated at about 30% of planned completion. Nonetheless, it was successfully demonstrated that HgZnTe alloy ingots partially grown and quenched on the ground can be back-melted and regrown in space under nearly steady state growth conditions. An identical 'ground-truth' experiment was performed following the mission. Preliminary results are presented for both crystals, as well as for a series of other crystals grown prior to the mission for the purposes of optimizing in-flight growth conditions.

S L Lehoczky↗
NASA NTRS2026

Controlled Parametric Forcing During Directional Solidification of a Bulk Organic Alloy Under Microgravity

The response of dendritic microstructures to step-like pulling velocity conditions is investigated using microgravity directional solidification experiments conducted on DECLIC-DSI combined with phase-field simulations. Under a constant pulling velocity of 1.5 µm/s, the evolution toward steady-state growth is characterized in terms of primary spacing, dendrite drift, and tip dynamics. For the first time, side-view observations enabled direct measurement of tip radius and sidebranching frequency. When step-like oscillations of the pulling velocity are imposed, the dendritic array exhibits a strongly period-dependent response: short periods lead to rapid tip adaptation, whereas longer periods induce a phase lag between tip position and morphology, resulting in progressive tip flattening and, above a critical period, interface destabilization and dendrite splitting. Quantitative phase-field simulations, including a realistic thermal field and stochastic noise, reproduce the experimental observations and provide insight into the governing mechanisms, highlighting the role of characteristic relaxation times, sequence-dependent effects, and the irreversible reorganization of the microstructure following splitting.

Microgravity↗
DOE OSTI2025

CRADA 2022-03 Final Report: Advanced Bearing Materials for Harsh Service Conditions

Develop advanced bearing materials for hydrogen gas turbines and wind turbines. Two candidate materials have been selected based on Ames lab’s recent work on high entropy alloys and shape memory alloys. These materials are designed to exhibit a balance of hardness, strength, toughness, and corrosion resistance. The hydrogen diffusion coefficient in the NiTi based shape memory alloy is two order of magnitude lower than that of the conventional case hardened bearing steel. We plan to atomize these materials into powders, additive manufacture cylindrical bearings, then test these bearing for rolling-contact fatigue, corrosion properties, and hydrogen embrittlement. We are a vertically integrated team comprises of national labs, bearing manufacturers, raw material powders makers, and aircraft gas turbine manufacturer.

Argibay, Nicolas [Ames Laboratory (AMES), Ames, IA↗
DOE OSTI2026

Selective depolymerization of polyolefin copolymer via high-entropy alloy catalyzed pyrolysis in a double-layered ultrafast heating reactor

Chemical recycling of polyolefin copolymers (PCPs) is essential for mitigating plastic pollution, yet achieving selective depolymerization into C 2 –C 3 monomers at high productivity remains challenging. Here, we introduce a double-layered ultrafast heating reactor (DUHR) that integrates Joule heating with a high-entropy alloy (HEA) catalyst composed of near-equimolar Co, Cu, Fe, Mn, and Ni. We achieve highly selective depolymerization of PCP into ethylene and propylene, yielding a 70% non-condensable fraction. Significant aromatic fractions form via radical-driven pathways—a behavior distinct from conventional externally heated pyrolyzers—highlighting DUHR's ability to generate reactive species and modulate reaction pathways. Furthermore, these findings demonstrate an effective strategy for chemical recycling of real-world plastic waste for polyolefin circularity and sustainable resource recovery.

Chemical recycling↗
NASA NTRS2026

A Dispersion-Strengthened Low-Density Niobium Alloy and Its Elevated Temperature Mechanical Performance

In response to the elevated-temperature and weight-reduction demands of modern aerospace applications, a novel oxide-dispersion-strengthened low-density niobium alloy (LDNb-ODS) was fabricated using laser powder bed fusion (L-PBF). To overcome powder procurement barriers, L-PBF feedstock was produced by blending commercial Nb521, Ti64, and Cr powder with Y2O3 nanoparticles via resonant acoustic mixing. Following L-PBF and a 1400°C vacuum heat treatment, the alloy achieved a density of 6.73 g/cc and a fine mean grain size of 4.62 µm stabilized by uniform ~30 nm yttria dispersoids. Microstructural analysis revealed a chemically inhomogeneous build with lack-of-fusion defects and a titanium (Ti) shift from a nominal 31.5 wt% in the starting powder blend to 24.8 wt% in the printed part due to preferential Ti loss during printing. Elevated-temperature tensile testing demonstrated that LDNb-ODS maintained a superior specific yield strength of 60-85 MPa/(g/cc) up to 800°C, outperforming nickel-based alloys Ni625, Ni230, and GRX-810. Between 870°C and 950°C, its specific strength surpassed both Ni718 and Ni625. In rapid stress-rupture testing at 1093°C and 20.7 MPa, uncoated LDNb-ODS survived 21.4 hours (a tenfold increase over legacy C-103) while an R512E silicide coating extended rupture life to 84.8 hours, confirming that oxidation accelerates low-stress failure. These findings demonstrate that additive manufacturing of LDNb-ODS provides a viable, lightweight alternative to nickel-based superalloys for high-temperature (>850°C) aerospace components.

Low Density Niobium Alloy↗