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16 records
All sourcesNASA NTRSDOE OSTI
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 OSTI2026

Assessment of binary eutectic Ni alloys for high-temperature applications via laser remelting

It has been recently demonstrated that eutectic alloys processed by additive manufacturing have excellent high-temperature mechanical properties. We suggest that nickel-base eutectic alloys may enable new combinations of structural and functional properties. To this end, we investigate the processability, microstructure, and thermal stability of five, binary near-eutectic Ni-X (X = B, Ce, La, Y, and Zr) alloys processed via surface laser-remelting. The microstructure of all alloys contain a two-phase lamellar eutectic microstructure consisting of γ-Ni and intermetallic phases; this microstructure is significantly finer (100–200 nm lamellar spacing) in the laser-remelted alloys than in the cast substrate (0.5–1.0 µm lamellar spacing). The microhardness of the laser-remelted alloys (550–770 HV) is 35–50% higher than that of the cast alloys (370–570 HV) due to this finer eutectic spacing. An anomalous eutectic microstructure appears at the meltpool boundaries, containing globular and lamellar γ-Ni phases. The alloys contain a high volume fraction (>50 vol%) of intermetallic phase which forms a continuous network, causing brittleness. Following laser-remelting trials, the alloys showed a high density of solid-state cracks, except for the Ni-Zr alloy which processed well. During thermal exposure at 700 and 900°C for up to 500 h, the eutectic microstructure coarsens. Coarsening occurs heterogeneously and initiates at the meltpool boundaries. This process occurs more slowly in the Ni-Zr and Ni-Y alloys, and more rapidly in the remaining alloys, resulting in greater microhardness retention in the Ni-Zr and Ni-Y alloys following thermal exposure at 700°C. Thus, among the five alloys, the Ni-Zr system exhibits a good combination of high-temperature mechanical properties and processability. Here, we conclude with recommendations for future work on designing additively manufactured alloys based on these eutectic Ni systems.

Additive manufacturing↗
DOE OSTI2024

Thermo-mechanical behavior of hypoeutectic Ni-Y-Zr alloys

Microstructure refinement and optimized alloying can improve metallic alloy performance: stable nanocrystalline (NC) alloys with immiscible second phases, e.g., Cu-Ta, are stronger than unstable NC alloys and their coarse-grained (CG) counterparts, but higher melting point matrices are needed. Hypoeutectic, CG Ni-Y-Zr alloys were produced via arc-melting to explore their potential as high-performance materials. Microstructures were studied to determine phases present, local composition and length scales, while heat treatments allowed investigating microstructural stability. Alloys had a stable, hierarchical microstructure with ~250 nm ultrafine eutectic, ~10 µm dendritic arm spacing and ~1 mm grain size. Hardness and uniaxial compression tests revealed that mechanical properties of Ni-0.5Y-1.8Zr (in wt%) were comparable to Inconel 617 despite the small alloying additions, due to its hierarchical microstructure. Here, uniaxial compression at 600 °C showed that ternary alloys outperformed Ni-Zr and Ni-Y binary alloys in flow stress and hardening rates, which indicates that the Ni 17 Y 2 phase was an effective reinforcement for the eutectic, which supplemented the matrix hardening due to increased solubility of Zr. Results suggest that ternary Ni-Y-Zr alloys hold significant promise for high temperature applications.

36 MATERIALS SCIENCE↗
DOE OSTI2024

First-Principles Studies of Tritium Species Diffusivity Across the Interface of Nickel-Plated Zircaloy-4

α-Zr and its alloys are known as best 3 H getters due to their excellent corrosion resistance under chemically corrosive environment, low thermal neutron absorption cross-section and robust mechanical strength at high temperature. In this work, we conducted a systematic study on constructing and optimizing Ni and Zr surfaces, interfacing the stable Ni and Zr surfaces to create an optimal Ni-Zr interface, and an understanding the diffusion mechanisms for 3 H across Ni(111)-Zr(0001) interface with and without vacancies and impurities such as Sn and O.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

Materials Data on ZrNi2 by Materials Project

Ni2Zr is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to twelve equivalent Ni atoms. All Zr–Ni bond lengths are 2.89 Å. Ni is bonded to six equivalent Zr and six equivalent Ni atoms to form a mixture of corner, edge, and face-sharing NiZr6Ni6 cuboctahedra. All Ni–Ni bond lengths are 2.46 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZrNi5 by Materials Project

Ni5Zr crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to sixteen Ni atoms. There are twelve shorter (2.78 Å) and four longer (2.90 Å) Zr–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 4-coordinate geometry to four equivalent Zr and twelve equivalent Ni atoms. All Ni–Ni bond lengths are 2.77 Å. In the second Ni site, Ni is bonded to three equivalent Zr and nine Ni atoms to form a mixture of distorted edge, corner, and face-sharing NiZr3Ni9 cuboctahedra. There are three shorter (2.35 Å) and three longer (2.39 Å) Ni–Ni bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zr2Ni7 by Materials Project

Zr2Ni7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Zr is bonded in a 6-coordinate geometry to fourteen Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.72–2.89 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Zr and eight Ni atoms to form a mixture of face, edge, and corner-sharing NiZr4Ni8 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.35–2.49 Å. In the second Ni site, Ni is bonded to four equivalent Zr and eight Ni atoms to form a mixture of face, edge, and corner-sharing NiZr4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.49 Å. In the third Ni site, Ni is bonded in a 12-coordinate geometry to four equivalent Zr and eight Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.42–2.73 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zr8Ni21 by Materials Project

Zr8Ni21 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Zr sites. In the first Zr site, Zr is bonded in a 12-coordinate geometry to thirteen Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.64–3.09 Å. In the second Zr site, Zr is bonded in a 10-coordinate geometry to ten Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.60–2.80 Å. In the third Zr site, Zr is bonded in a 12-coordinate geometry to twelve Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.65–2.90 Å. In the fourth Zr site, Zr is bonded in a 12-coordinate geometry to twelve Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.61–2.87 Å. There are eleven inequivalent Ni sites. In the first Ni site, Ni is bonded to four Zr and eight Ni atoms to form face-sharing NiZr4Ni8 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.42–2.59 Å. In the second Ni site, Ni is bonded to five Zr and seven Ni atoms to form distorted NiZr5Ni7 cuboctahedra that share a cornercorner with one NiZr5Ni7 cuboctahedra, an edgeedge with one NiZr5Ni7 cuboctahedra, and faces with four NiZr4Ni8 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.43–2.58 Å. In the third Ni site, Ni is bonded in a 5-coordinate geometry to five Zr and four Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.66–2.87 Å. In the fourth Ni site, Ni is bonded in a 4-coordinate geometry to four Zr and six Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.39–2.70 Å. In the fifth Ni site, Ni is bonded in a 12-coordinate geometry to five Zr and seven Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.47–2.74 Å. In the sixth Ni site, Ni is bonded to five Zr and seven Ni atoms to form distorted NiZr5Ni7 cuboctahedra that share a cornercorner with one NiZr5Ni7 cuboctahedra, an edgeedge with one NiZr5Ni7 cuboctahedra, and faces with four NiZr4Ni8 cuboctahedra. There are three shorter (2.49 Å) and one longer (2.54 Å) Ni–Ni bond lengths. In the seventh Ni site, Ni is bonded in a 12-coordinate geometry to four Zr and eight Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.54–2.88 Å. In the eighth Ni site, Ni is bonded in a 12-coordinate geometry to five Zr and seven Ni atoms. There are one shorter (2.43 Å) and one longer (2.74 Å) Ni–Ni bond lengths. In the ninth Ni site, Ni is bonded in a 3-coordinate geometry to four Zr and six Ni atoms. In the tenth Ni site, Ni is bonded in a 12-coordinate geometry to four Zr and eight Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.46–2.84 Å. In the eleventh Ni site, Ni is bonded in a 12-coordinate geometry to four Zr and eight Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zr9Ni11 by Materials Project

Zr9Ni11 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are three inequivalent Zr sites. In the first Zr site, Zr is bonded in a 10-coordinate geometry to ten Ni atoms. There are eight shorter (2.86 Å) and two longer (3.24 Å) Zr–Ni bond lengths. In the second Zr site, Zr is bonded in a 9-coordinate geometry to nine Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.66–3.08 Å. In the third Zr site, Zr is bonded in a distorted body-centered cubic geometry to eight Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.63–2.75 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted square co-planar geometry to six Zr atoms. In the second Ni site, Ni is bonded in a 4-coordinate geometry to eight Zr atoms. In the third Ni site, Ni is bonded in a 7-coordinate geometry to seven Zr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zr2Ni by Materials Project

Zr2Ni is Khatyrkite structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Zr is bonded in a 4-coordinate geometry to four equivalent Ni atoms. All Zr–Ni bond lengths are 2.77 Å. Ni is bonded in a 10-coordinate geometry to eight equivalent Zr and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.63 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZrNi3 by Materials Project

Ni3Zr is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr is bonded to twelve Ni atoms to form ZrNi12 cuboctahedra that share corners with six equivalent ZrNi12 cuboctahedra, corners with twelve equivalent NiZr4Ni8 cuboctahedra, edges with eighteen NiZr4Ni8 cuboctahedra, faces with eight equivalent ZrNi12 cuboctahedra, and faces with twelve NiZr4Ni8 cuboctahedra. There are six shorter (2.66 Å) and six longer (2.70 Å) Zr–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Zr and eight Ni atoms to form distorted NiZr4Ni8 cuboctahedra that share corners with four equivalent ZrNi12 cuboctahedra, corners with fourteen equivalent NiZr4Ni8 cuboctahedra, edges with six equivalent ZrNi12 cuboctahedra, edges with twelve NiZr4Ni8 cuboctahedra, faces with four equivalent ZrNi12 cuboctahedra, and faces with sixteen NiZr4Ni8 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.48–2.83 Å. In the second Ni site, Ni is bonded to four equivalent Zr and eight Ni atoms to form distorted NiZr4Ni8 cuboctahedra that share corners with four equivalent ZrNi12 cuboctahedra, corners with fourteen NiZr4Ni8 cuboctahedra, edges with six equivalent ZrNi12 cuboctahedra, edges with twelve NiZr4Ni8 cuboctahedra, faces with four equivalent ZrNi12 cuboctahedra, and faces with sixteen NiZr4Ni8 cuboctahedra. There are one shorter (2.48 Å) and one longer (2.83 Å) Ni–Ni bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZrNi by Materials Project

ZrNi crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Zr is bonded in a 7-coordinate geometry to seven equivalent Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.69–2.77 Å. Ni is bonded in a 9-coordinate geometry to seven equivalent Zr and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.63 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zr7Ni10 by Materials Project

Zr7Ni10 crystallizes in the orthorhombic Aea2 space group. The structure is three-dimensional. there are five inequivalent Zr sites. In the first Zr site, Zr is bonded in a 10-coordinate geometry to ten Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.72–2.79 Å. In the second Zr site, Zr is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.69–2.81 Å. In the third Zr site, Zr is bonded in a 10-coordinate geometry to ten Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.75–2.79 Å. In the fourth Zr site, Zr is bonded in a 8-coordinate geometry to eight Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.60–2.74 Å. In the fifth Zr site, Zr is bonded in a distorted body-centered cubic geometry to eight Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.62–2.66 Å. There are five inequivalent Ni sites. In the first Ni site, Ni is bonded in a 6-coordinate geometry to six Zr and one Ni atom. The Ni–Ni bond length is 2.66 Å. In the second Ni site, Ni is bonded in a 11-coordinate geometry to six Zr and one Ni atom. The Ni–Ni bond length is 2.63 Å. In the third Ni site, Ni is bonded in a 10-coordinate geometry to five Zr and five Ni atoms. There are two shorter (2.66 Å) and one longer (2.75 Å) Ni–Ni bond lengths. In the fourth Ni site, Ni is bonded in a 6-coordinate geometry to six Zr and one Ni atom. In the fifth Ni site, Ni is bonded in a 6-coordinate geometry to six Zr and one Ni atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zr7Ni10 by Materials Project

Zr7Ni10 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are four inequivalent Zr sites. In the first Zr site, Zr is bonded in a 7-coordinate geometry to eight Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.71–3.30 Å. In the second Zr site, Zr is bonded in a 10-coordinate geometry to ten Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.75–2.81 Å. In the third Zr site, Zr is bonded in a body-centered cubic geometry to eight Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.62–2.65 Å. In the fourth Zr site, Zr is bonded in a 8-coordinate geometry to eight Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.62–2.76 Å. There are five inequivalent Ni sites. In the first Ni site, Ni is bonded in a 11-coordinate geometry to six Zr and two Ni atoms. There are one shorter (2.65 Å) and one longer (2.71 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded in a 11-coordinate geometry to six Zr and two Ni atoms. There are one shorter (2.62 Å) and one longer (2.75 Å) Ni–Ni bond lengths. In the third Ni site, Ni is bonded in a 6-coordinate geometry to six Zr and two Ni atoms. There are one shorter (2.68 Å) and one longer (2.73 Å) Ni–Ni bond lengths. In the fourth Ni site, Ni is bonded in a 10-coordinate geometry to five Zr and five Ni atoms. There are one shorter (2.65 Å) and one longer (2.77 Å) Ni–Ni bond lengths. In the fifth Ni site, Ni is bonded in a 11-coordinate geometry to seven Zr and four Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zr6Ni23 by Materials Project

Zr6Ni23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to twelve Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.72–2.89 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Zr and nine Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.33–2.54 Å. In the second Ni site, Ni is bonded in a body-centered cubic geometry to eight equivalent Ni atoms. All Ni–Ni bond lengths are 2.37 Å. In the third Ni site, Ni is bonded to four equivalent Zr and eight Ni atoms to form a mixture of corner and face-sharing NiZr4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.51 Å. In the fourth Ni site, Ni is bonded in a 4-coordinate geometry to three equivalent Zr and ten Ni atoms. All Ni–Ni bond lengths are 2.74 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zr2Ni7 by Materials Project

Zr2Ni7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to fourteen Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.71–2.89 Å. In the second Zr site, Zr is bonded in a 12-coordinate geometry to fourteen Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.72–2.90 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to four equivalent Zr and eight Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.40–2.72 Å. In the second Ni site, Ni is bonded to four Zr and eight Ni atoms to form a mixture of face, edge, and corner-sharing NiZr4Ni8 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.34–2.49 Å. In the third Ni site, Ni is bonded to four Zr and eight Ni atoms to form a mixture of face, edge, and corner-sharing NiZr4Ni8 cuboctahedra. Both Ni–Ni bond lengths are 2.48 Å. In the fourth Ni site, Ni is bonded in a 12-coordinate geometry to four equivalent Zr and eight Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.43–2.73 Å.

36 MATERIALS SCIENCE↗