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Results for “Ternary alloy”

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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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

The role of ternary alloying elements in eutectoid transformation of U-10Mo alloy part II. In and Ex-situ Neutron diffraction-based assessment of eutectoid phase transformation kinetics in U-9.8Mo-0.2X alloy (X = Cr, Ni or Co)

HExploring the effects of minor ternary alloying additions, typically impurity elements, on the phase stability of U-10Mo is important for preventing undesirable phase decomposition during processing or during service. This work examines the influence small ternary additions of Cr, Ni, and Co. Both in-situ and ex-situ neutron diffraction measurements made during and after high temperature (450 – 525°C) exposures were used to better define the influence of these elements on the time-temperature-transformation (TTT) behavior of U-10Mo, providing information which is complementary to electron microscopy investigations of the same alloy systems performed in the first part of this work. Minor additions of Ni and Co decrease the ?-phase stability at all temperatures investigated. Signatures of U6X (X = Ni or Co) compounds were shown to be present in amounts of up to 6 wt% in the heat treated alloys, suggesting that the initial precipitation of this phase may catalyze further ?-phase decomposition. On the other hand, the Cr containing alloys were observed to have nearly the same, and in some cases slower, phase transformation kinetics when compared to the binary U-10Mo control samples. The results of the study have enabled preliminary estimates of the TTT curves for the ternary alloys.

phase transformation, kinetics, discontinuous prec↗
DOE OSTI2024

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↗
NASA NTRS1986

Process for Nonequilibrium Ternary Alloys

Proposed metallurgical process yields amorphous ternary alloys of any range of desired compositions. Process produces homogenous alloys even when proportions of constituent metals are not those that exist in equilibrium at solidification temperature. Such alloys are well suited to use in gas turbines and advanced engines.

Lutwack, R.↗
NASA NTRS1966

Silver-base ternary alloy proves superior for slip ring lead wires

Slip ring lead wires composed of ternary alloys of silver, have high electrical conductivity, a tensile strength of at least 30,000 psi, high ductility, and are solderable and weldable. An unexpected advantage of these alloys is their resistance to discoloration on heating in air.

Ernst, R. H.↗
NASA NTRS1981

Study of certain features of the electronic structure of the ternary alloys Ni2(Mn, Fe) and Ni3(Mn, Co)

The changes in electronic structure related to transport processes occurring during the alloying of he alloy Ni3Mn with iron and cobalt, and the ordering of the ternary alloys thus formed are presented. The Hall effect, the absolute thermal emf, the internal saturation induction, the Nernst-Ettingshausen constant, and the electrical resistivity were measured. Results show a decrease in the contribution of hole sections of the Fermi surface to the transport process occurs together with a considerable increase in the contribution of electron sections. In this case, the mobility of 3 dimensional holes decreases and the mobility of 4s electrons increases considerably.

Zhukova, V. M.↗
DOE OSTI2026

A Holistic Stabilization of the Anode in Lithium‐Sulfur Batteries Through a Ternary Alloy Fusion

The anode in lithium–sulfur batteries (LSBs) is plagued by not only inhomogeneous lithium (Li) deposition, but also by parasitic side-reactions. Often, a thick anode (∼400 µm) is used to compensate for these drawbacks, lowering gravimetric and volumetric energy densities. In this work, we demonstrate a ternary alloy anode fabricated via scalable thermal fusion of Li with aluminum (Al) and tellurium (Te) to cohesively address these issues. The Al–Li skeleton serves to homogenize Li deposition as well as reinforce the anode, allowing it to be rolled down to low thicknesses. Te incorporation suppresses the reaction of Li with polysulfides (Li 2 Sn) to form lithium sulfide (Li 2 S) and electrolyte degradation. It can also facilitate the formation of polytellurosulfides (Li 2 Te x Sy), which are far more conducive to Li + -ion diffusion. Even under a lean electrolyte/sulfur (E/S) ratio of 8 µL mg −1 and a low negative/positive (N/P) ratio of 3, capacities over 900 mA h g −1 at a C/5 rate are obtained in cells with Li–Te–Al anodes with a capacity retention of 80% after 70 cycles. In comparison, the baseline lithium-metal anode retains only 35% after 50 cycles. Furthermore, the Li–Te–Al anodes confer a 24% boost to gravimetric energy density at the pouch cell level.

25 ENERGY STORAGE↗
DOE OSTI2026

Theory Guided Fine‐Tune of Strain Effects in Pt Ternary Alloy via Rare Earth Templating: Achieving High Performance PEMFCs Catalysts

The sluggish kinetics and insufficient durability of platinum-based catalysts remain crucial barriers limiting proton-exchange-membrane fuel cells (PEMFCs) deployment. Here, we report a theory-guided synthesis combined with rare-earth templating to realize a previously inaccessible Pt 5 Co-like phase with tailored atomic-scale strain. Guided by density functional theory (DFT) calculations, we identified that a Pt 5 Co-like sublayer can induce a unique mild compressive strain (−1.24%) to the Pt(111) shell and an optimal *OH binding energy shift (ΔE ≈ 0.11 eV). This shift positions the alloy catalyst near the apex of the oxygen reduction reaction activity volcano. This prediction guided the synthesis of ternary alloy Pt 5 (Ce)Co@Pt multilayer nanoparticles, featuring a Ce-stabilized core, a Pt 5 Co-like sublayer, and a Pt-rich shell. This catalyst demonstrates both exceptionally high activity and durability, achieving a mass activity of 2.6 A∙mg Pt −1 in rotating disk electrode testing. In fuel cell membrane electrode assembly tests, Pt 5 (Ce)Co@Pt achieves a current density of 1.9 A∙cm −2 at 0.7 V under heavy-duty vehicle conditions. Remarkably, it maintains 1.2 A∙cm −2 after 1 80 000 AST cycles, doubling the U.S. DOE 2025 target. This work demonstrates a rational design strategy that DFT-guided strain engineering integrates with rare-earth templating to advance Pt-based catalysts for fuel cell applications.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS2006

Phase Structure and Site Preference Behavior of Ternary Alloying Additions to PdTi and PtTi Shape-Memory Alloys

The phasc structure and concentration dependence of the lattice parameter and energy of formation of ternary Pd-'I-X and Pt-Ti-X alloys for a large number of ternary alloying additions X (X = Na, Mg, Al, Si, Sc. V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Y, Zr, Nb, Mo, Tc, Ru, Rh, Ag, Cd, Hf, Ta, W, Re, Os, Ir) are investigated with an atomistic modeling approach. In addition, a detailed description of the site preference behavior of such additions showing that the elements can be grouped according to their absolute preference for a specific site, regardless of concentration, or preference for available sites in the deficient sublattice is provided.

Bozzolo, Guillermo↗
NASA NTRS2000

Surface Segregation in Ternary Alloys

Surface segregation profiles of binary (Cu-Ni, Au-Ni, Cu-Au) and ternary (Cu-Au-Ni) alloys are determined via Monte Carlo-Metropolis computer simulations using the BFS method for alloys for the calculation of the energetics. The behavior of Cu or Au in Ni is contrasted with their behavior when both are present. The interaction between Cu and Au and its effect on the segregation profiles for Cu-Au-Ni alloys is discussed.

Good, Brian↗
DOE OSTI2020

Ultrathin, ternary alloy PtRuFe nanowires, and methods of making same

The present invention provides a method of producing ternary metal-based nanowire networks. The method comprises combining an aqueous mixture of a platinum hydrate, a ruthenium hydrate, and an iron hydrate with a solution of hexadecyltrimethylammonium bromide in chloroform to form an inverse micellar network; adding a reducing agent to reduce metal ions within the inverse micellar network; and isolating the nanowires. The relative amounts of the platinum, ruthenium and iron in the mixture correlate to the atomic ratio of the platinum, ruthenium and iron in the ternary nanowires. The diameters of the ternary nanowires are from about 0.5 nm to about 5 nm.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS1982

Nicral ternary alloy having improved cyclic oxidation resistance

NiCrAl alloys are improved by the addition of zirconium. These alloys are in the Beta or gamma/gamma' + Beta region of the ternary system. Zirconium is added in a very low amount between 0.06 and 0.20 weight percent. There is a narrow optimum zirconium level at the low value of 0.13 weight percent. Maximum resistance to cyclic oxidation is achieved when the zirconium addition is at the optimum value.

Barrett, C. A.↗
DOE OSTI2019

High-throughput investigation of crystal-to-glass transformation of Ti–Ni–Cu ternary alloy

A high-throughput investigation of metallic glass formation via solid-state reaction was reported in this paper. Combinatorial multilayered thin-film chips covering the entire Ti-Ni-Cu ternary system were prepared using ion beam sputtering technique. Microbeam synchrotron X-ray diffraction (XRD) and X-ray fluorescence (XRF) measurements were conducted, with 1,325 data points collected from each chip, to map out the composition and the phase constitution before and after annealing at 373 K for 110 hours. The composition dependence of the crystal-to-glass transition by solid-state reaction was surveyed using this approach. The resulting composition-phase map is consistent with previously reported results. Time-of-flight secondary ion mass spectroscopy (ToF-SIMS) was performed on the representative compositions to determine the inter-diffusion between layers, the result shows that the diffusion of Ti is the key factor for the crystal-to-glass transition. In addition, both layer thickness and layer sequence play important roles as well. This work demonstrates that combinatorial chip technique is an efficient way for systematic and rapid study of crystal-to-glass transition for multi-component alloy systems.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Deep reinforcement learning for predicting kinetic pathways to surface reconstruction in a ternary alloy

Abstract The majority of computational catalyst design focuses on the screening of material components and alloy composition to optimize selectivity and activity for a given reaction. However, predicting the metastability of the alloy catalyst surface at realistic operating conditions requires an extensive sampling of possible surface reconstructions and their associated kinetic pathways. We present CatGym, a deep reinforcement learning (DRL) environment for predicting the thermal surface reconstruction pathways and their associated kinetic barriers in crystalline solids under reaction conditions. The DRL agent iteratively changes the positions of atoms in the near-surface region to generate kinetic pathways to accessible local minima involving changes in the surface compositions. We showcase our agent by predicting the surface reconstruction pathways of a ternary Ni 3 Pd 3 Au 2 (111) alloy catalyst. Our results show that the DRL agent can not only explore more diverse surface compositions than the conventional minima hopping method, but also generate the kinetic surface reconstruction pathways. We further demonstrate that the kinetic pathway to a global minimum energy surface composition and its associated transition state predicted by our agent is in good agreement with the minimum energy path predicted by nudged elastic band calculations.

36 MATERIALS SCIENCE↗
NASA NTRS2004

Site preference of ternary alloying additions to NiTi: Fe, Pt, Pd, Au, Al, Cu, Zr and Hf

Atomistic modeling of the site substitution behavior of Pd in NiTi (J. Alloys and Comp. (2004), in press) has been extended to examine the behavior of several other alloying additions, namely, Fe, Pt, Au, Al, Cu, Zr and Hf in this important shape memory alloy. It was found that all elements, to a varying degree, displayed absolute preference for available sites in the deficient sublattice. How- ever, the energetics of the different substitutional schemes, coupled with large scale simulations indicate that the general trend in all cases is for the ternary addition to want to form stronger ordered structures with Ti.

Bozzolo, Guillermo↗
DOE OSTI2023

Strength mechanisms and tunability in Al-Ce-Mg ternary alloys enabled by additive manufacturing

Al-Ce-based alloys are promising candidates for additive manufacturing (AM) due to their hot-cracking resistance and because they do not require heat treatment to obtain precipitation strengthening. Rapid solidification rates enabled by AM methods can lead to enhanced mechanical properties; however, the strengthening mechanisms over large composition ranges were unclear. Here, combinatorial synthesis by directed-energy deposition (DED) and hardness measurements were used to rapidly map the composition-dependent strength of the ternary Al-Ce-Mg system. Tensile testing and microstructure characterization of selected compositions were performed to elucidate the compositional dependence of the strengthening mechanisms. Al 11 Ce 3 precipitates were present in all cases, and the maximum hardness (1.25 GPa) was measured for the Al-8Ce-10Mg composition. A combination of (i) Hall-Petch strengthening, based on the FCC-matrix-phase cell size; (ii) particle strengthening, based on Al 11 Ce 3 volume fraction and size; and (iii) solid-solution strengthening, based on Mg composition of the matrix phase, were used to account for the measured strengths. Vickers hardness is shown to correlate well with ultimate tensile strength in these alloys, highlighting the value of surface-based techniques for rapid screening.

36 MATERIALS SCIENCE↗
DOE OSTI2025

In‐Plane Anisotropy in van der Waals NiTeSe Ternary Alloy

Abstract The anisotropic properties of materials profoundly influence their electronic, magnetic, optical, and mechanical behaviors and are critical for a wide range of applications. In this study, the anisotropic characteristics of Ni‐based van der Waals materials, specifically NiTe 2 and its alloy NiTeSe, utilizing a combination of comprehensive scanning tunneling microscopy (STM), angle‐resolved photoemission spectroscopy (ARPES), and density functional theory (DFT) calculations, are explored. Unlike 1T‐NiTe 2 , which exhibits trigonal in‐plane symmetry, the substitution of Te with Se in NiTe 2 (resulting in the NiTeSe alloy) induces a pronounced in‐plane anisotropy. This anisotropy is clear in the STM topographs, which reveal a distinct linear order of charge distribution. Corroborating these observations, ARPES measurements and DFT calculations reveal an anisotropic Fermi surface centered at the point, which is notably elongated along the k y direction, leading to directional variations in in‐plane carrier velocities. Consequently, the Fermi velocity is highest along the k x direction where the linear charge distribution aligns in real space and is lowest along the k y direction. These findings offer valuable insights into the tunability of anisotropic properties in ternary transition metal dichalcogenide systems, highlighting their potential applications in the development of anisotropic electronic and optoelectronic devices.

Chemistry↗