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All sourcesNASA NTRSDOE OSTI
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 OSTI2020

Materials Data on Y4ZrNi25 by Materials Project

Y4ZrNi25 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 6-coordinate geometry to eighteen Ni atoms. There are a spread of Y–Ni bond distances ranging from 2.80–3.15 Å. In the second Y site, Y is bonded in a 6-coordinate geometry to eighteen Ni atoms. There are a spread of Y–Ni bond distances ranging from 2.81–3.13 Å. Zr is bonded in a 6-coordinate geometry to eighteen Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.77–3.13 Å. There are eleven inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to two equivalent Y, one Zr, and eight Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.40–2.81 Å. In the second Ni site, Ni is bonded in a 12-coordinate geometry to three Y and six Ni atoms. There are two shorter (2.41 Å) and four longer (2.42 Å) Ni–Ni bond lengths. In the third Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Y and six Ni atoms. There are two shorter (2.41 Å) and four longer (2.42 Å) Ni–Ni bond lengths. In the fourth Ni site, Ni is bonded in a 12-coordinate geometry to three Y and six Ni atoms. All Ni–Ni bond lengths are 2.41 Å. In the fifth Ni site, Ni is bonded in a 12-coordinate geometry to one Y, two equivalent Zr, and nine Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.39–2.72 Å. In the sixth Ni site, Ni is bonded to four equivalent Zr and eight Ni atoms to form NiZr4Ni8 cuboctahedra that share corners with sixteen NiY2Zr2Ni8 cuboctahedra, edges with ten NiY2Zr2Ni8 cuboctahedra, and faces with ten NiZr4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.42 Å. In the seventh Ni site, Ni is bonded to four equivalent Y and eight Ni atoms to form NiY4Ni8 cuboctahedra that share corners with sixteen NiZr4Ni8 cuboctahedra, edges with ten NiY2Zr2Ni8 cuboctahedra, and faces with ten NiY4Ni8 cuboctahedra. There are two shorter (2.43 Å) and two longer (2.44 Å) Ni–Ni bond lengths. In the eighth Ni site, Ni is bonded to four equivalent Y and eight Ni atoms to form a mixture of face, edge, and corner-sharing NiY4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.43 Å. In the ninth Ni site, Ni is bonded to two equivalent Y, two equivalent Zr, and eight Ni atoms to form a mixture of face, edge, and corner-sharing NiY2Zr2Ni8 cuboctahedra. There are one shorter (2.41 Å) and one longer (2.47 Å) Ni–Ni bond lengths. In the tenth Ni site, Ni is bonded to four Y and eight Ni atoms to form a mixture of face, edge, and corner-sharing NiY4Ni8 cuboctahedra. Both Ni–Ni bond lengths are 2.44 Å. In the eleventh Ni site, Ni is bonded to four equivalent Y and eight Ni atoms to form a mixture of face, edge, and corner-sharing NiY4Ni8 cuboctahedra. Both Ni–Ni bond lengths are 2.44 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YZr2Ni15 by Materials Project

YZr2Ni15 crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to sixteen Ni atoms. There are a spread of Y–Ni bond distances ranging from 2.80–2.99 Å. There are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 12-coordinate geometry to sixteen Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.78–2.91 Å. In the second Zr site, Zr is bonded in a 12-coordinate geometry to sixteen Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.79–2.92 Å. There are nine inequivalent Ni sites. In the first Ni site, Ni is bonded to one Y, two equivalent Zr, and nine Ni atoms to form distorted NiYZr2Ni9 cuboctahedra that share corners with eighteen NiYZr2Ni9 cuboctahedra, edges with six NiYZr2Ni9 cuboctahedra, faces with eighteen NiYZr2Ni9 cuboctahedra, and faces with four equivalent NiY3ZrNi12 tetrahedra. There are a spread of Ni–Ni bond distances ranging from 2.35–2.79 Å. In the second Ni site, Ni is bonded to two equivalent Y, one Zr, and nine Ni atoms to form distorted NiY2ZrNi9 cuboctahedra that share corners with eighteen NiYZr2Ni9 cuboctahedra, corners with two equivalent NiY3ZrNi12 tetrahedra, edges with six NiYZr2Ni9 cuboctahedra, faces with eighteen NiYZr2Ni9 cuboctahedra, and faces with three equivalent NiY3ZrNi12 tetrahedra. There are a spread of Ni–Ni bond distances ranging from 2.35–2.89 Å. In the third Ni site, Ni is bonded to three Zr and nine Ni atoms to form distorted NiZr3Ni9 cuboctahedra that share corners with eighteen NiYZr2Ni9 cuboctahedra, a cornercorner with one NiY3ZrNi12 tetrahedra, edges with six NiYZr2Ni9 cuboctahedra, and faces with eighteen NiYZr2Ni9 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.36–2.80 Å. In the fourth Ni site, Ni is bonded to three equivalent Y and nine Ni atoms to form distorted NiY3Ni9 cuboctahedra that share corners with eighteen NiYZr2Ni9 cuboctahedra, corners with three equivalent NiY3ZrNi12 tetrahedra, edges with six equivalent NiY3Ni9 cuboctahedra, faces with eighteen NiYZr2Ni9 cuboctahedra, and faces with three equivalent NiY3ZrNi12 tetrahedra. All Ni–Ni bond lengths are 2.81 Å. In the fifth Ni site, Ni is bonded to three equivalent Zr and nine Ni atoms to form distorted NiZr3Ni9 cuboctahedra that share corners with eighteen NiY2ZrNi9 cuboctahedra, edges with six equivalent NiZr3Ni9 cuboctahedra, faces with eighteen NiY2ZrNi9 cuboctahedra, and a faceface with one NiY3ZrNi12 tetrahedra. All Ni–Ni bond lengths are 2.79 Å. In the sixth Ni site, Ni is bonded to three equivalent Zr and nine Ni atoms to form distorted NiZr3Ni9 cuboctahedra that share corners with eighteen NiYZr2Ni9 cuboctahedra, edges with six equivalent NiZr3Ni9 cuboctahedra, faces with eighteen NiYZr2Ni9 cuboctahedra, and faces with three equivalent NiY3ZrNi12 tetrahedra. All Ni–Ni bond lengths are 2.80 Å. In the seventh Ni site, Ni is bonded in a 4-coordinate geometry to one Y, three equivalent Zr, and twelve Ni atoms. In the eighth Ni site, Ni is bonded in a 4-coordinate geometry to four Zr and twelve Ni atoms. In the ninth Ni site, Ni is bonded to three equivalent Y, one Zr, and twelve Ni atoms to form distorted NiY3ZrNi12 tetrahedra that share corners with twelve NiY2ZrNi9 cuboctahedra, faces with twenty-eight NiYZr2Ni9 cuboctahedra, and faces with six equivalent NiY3ZrNi12 tetrahedra.

36 MATERIALS SCIENCE↗