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11 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Effect of microalloying additions on microstructural evolution and thermal stability in cast Al-Ni alloys

Enhancement of thermal stability in Al-Ni alloys through microalloying with slow-diffusing elements, specifically Zr, has been previously reported which is attributed to Zr segregation at the Al/Al 3 Ni interface. In this study, we explore the influence of microalloying Al-Ni alloys with Zr, Ti, V, and Fe on microstructural evolution, hardness, and electrical and thermal conductivity across a range of heat-treatment temperatures from 300 to 450 °C. The distribution of microalloying elements and precipitates after heat treatment is characterized using atom probe tomography (APT). Our investigation confirms Zr segregation to the Al/Al 3 Ni interface, while similar interfacial segregation is absent with the addition of Ti, V, and Fe. Additionally, our analysis of the Al 3 Ni microfiber morphology reveals that their coarsening and spheroidization rates are similar with and without interfacial segregation; thus, retaining the fiber reinforcement through interfacial segregation of slow diffusing elements may not be an effective strategy. Precipitation of L1 2 nanoparticles was found to be the dominant mechanism affecting enhanced hardness and electrical conductivity in Al-Ni-Zr alloys, attributed to precipitation strengthening and solute depletion, respectively. Similar precipitation was not observed for additions of Ti, V, and Fe following heat treatment. We provide a thermodynamic explanation for this limitation. Furthermore, the findings of this study suggest that an effective approach for designing Al-Ni alloys should involve prioritizing microalloying elements to maximize L1 2 precipitation and minimize solute content in the FCC-Al matrix post heat treatment, rather than focusing on Al/Al3Ni interfacial segregation.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zr6Al2Ni by Materials Project

Zr6NiAl2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 2-coordinate geometry to two equivalent Ni and two equivalent Al atoms. Both Zr–Ni bond lengths are 2.63 Å. Both Zr–Al bond lengths are 3.01 Å. In the second Zr site, Zr is bonded in a 5-coordinate geometry to one Ni and four equivalent Al atoms. The Zr–Ni bond length is 3.20 Å. All Zr–Al bond lengths are 2.95 Å. Ni is bonded in a 6-coordinate geometry to nine Zr atoms. Al is bonded in a 9-coordinate geometry to nine Zr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZrAl5Ni2 by Materials Project

ZrNi2Al5 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Zr is bonded to twelve Al atoms to form ZrAl12 cuboctahedra that share corners with four equivalent ZrAl12 cuboctahedra, faces with four equivalent ZrAl12 cuboctahedra, and faces with four equivalent AlZr4Al8 cuboctahedra. There are four shorter (2.84 Å) and eight longer (2.95 Å) Zr–Al bond lengths. Ni is bonded in a body-centered cubic geometry to eight equivalent Al atoms. There are four shorter (2.42 Å) and four longer (2.60 Å) Ni–Al bond lengths. There are four inequivalent Al sites. In the first Al site, Al is bonded to four equivalent Zr and eight Al atoms to form distorted AlZr4Al8 cuboctahedra that share corners with four equivalent AlZr4Al8 cuboctahedra, faces with four equivalent ZrAl12 cuboctahedra, and faces with four equivalent AlZr4Al8 cuboctahedra. All Al–Al bond lengths are 2.95 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Zr, four equivalent Ni, and two equivalent Al atoms. In the third Al site, Al is bonded in a 12-coordinate geometry to two equivalent Zr, four equivalent Ni, and two equivalent Al atoms. There are two shorter (2.42 Å) and two longer (2.60 Å) Al–Ni bond lengths. In the fourth Al site, Al is bonded in a 12-coordinate geometry to two equivalent Zr, four equivalent Ni, and two equivalent Al atoms. There are two shorter (2.42 Å) and two longer (2.60 Å) Al–Ni bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZrAlNi2 by Materials Project

AlNi2Zr is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a body-centered cubic geometry to eight equivalent Ni atoms. All Zr–Ni bond lengths are 2.65 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Zr and four equivalent Al atoms. All Ni–Al bond lengths are 2.65 Å. Al is bonded in a distorted body-centered cubic geometry to eight equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZrAlNi by Materials Project

ZrNiAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Zr is bonded in a 11-coordinate geometry to five Ni and six equivalent Al atoms. There are four shorter (2.73 Å) and one longer (2.81 Å) Zr–Ni bond lengths. There are two shorter (2.95 Å) and four longer (3.02 Å) Zr–Al bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Zr and six equivalent Al atoms. All Ni–Al bond lengths are 2.46 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Zr and three equivalent Al atoms. All Ni–Al bond lengths are 2.64 Å. Al is bonded in a 4-coordinate geometry to six equivalent Zr and four Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zr5AlNi4 by Materials Project

Zr5Ni4Al crystallizes in the tetragonal P4_2/m space group. The structure is three-dimensional. there are three inequivalent Zr sites. In the first Zr site, Zr is bonded in a 8-coordinate geometry to six equivalent Ni and two equivalent Al atoms. There are a spread of Zr–Ni bond distances ranging from 2.67–2.79 Å. Both Zr–Al bond lengths are 3.01 Å. In the second Zr site, Zr is bonded in a rectangular see-saw-like geometry to four equivalent Ni atoms. All Zr–Ni bond lengths are 2.79 Å. In the third Zr site, Zr is bonded in a 8-coordinate geometry to six equivalent Ni and two equivalent Al atoms. There are a spread of Zr–Ni bond distances ranging from 2.66–2.76 Å. Both Zr–Al bond lengths are 3.00 Å. Ni is bonded in a 9-coordinate geometry to seven Zr, one Ni, and one Al atom. The Ni–Ni bond length is 2.58 Å. The Ni–Al bond length is 2.89 Å. Al is bonded to eight Zr and four equivalent Ni atoms to form face-sharing AlZr8Ni4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zr4AlNi2 by Materials Project

Zr4Ni2Al crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 4-coordinate geometry to four equivalent Ni and two equivalent Al atoms. There are two shorter (2.92 Å) and two longer (3.40 Å) Zr–Ni bond lengths. Both Zr–Al bond lengths are 2.73 Å. In the second Zr site, Zr is bonded to six equivalent Ni atoms to form distorted edge-sharing ZrNi6 cuboctahedra. All Zr–Ni bond lengths are 2.79 Å. Ni is bonded in a 12-coordinate geometry to nine Zr and three equivalent Ni atoms. All Ni–Ni bond lengths are 2.70 Å. Al is bonded to six equivalent Zr atoms to form distorted corner-sharing AlZr6 octahedra. The corner-sharing octahedral tilt angles are 62°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zr5AlNi4 by Materials Project

Zr5Ni4Al crystallizes in the tetragonal P-4n2 space group. The structure is three-dimensional. there are three inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Ni and two equivalent Al atoms. There are four shorter (2.69 Å) and two longer (2.70 Å) Zr–Ni bond lengths. Both Zr–Al bond lengths are 3.13 Å. In the second Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Ni and two equivalent Al atoms. There are two shorter (2.65 Å) and four longer (2.76 Å) Zr–Ni bond lengths. Both Zr–Al bond lengths are 3.18 Å. In the third Zr site, Zr is bonded in a 4-coordinate geometry to four equivalent Ni and two equivalent Al atoms. All Zr–Ni bond lengths are 2.87 Å. Both Zr–Al bond lengths are 3.31 Å. Ni is bonded in a 9-coordinate geometry to seven Zr, one Ni, and one Al atom. The Ni–Ni bond length is 2.55 Å. The Ni–Al bond length is 2.87 Å. Al is bonded in a 4-coordinate geometry to ten Zr and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZrAlNi2 by Materials Project

AlNi2Zr crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Zr is bonded in a 8-coordinate geometry to eight equivalent Ni atoms. All Zr–Ni bond lengths are 2.82 Å. Ni is bonded in a distorted body-centered cubic geometry to four equivalent Zr and four equivalent Al atoms. All Ni–Al bond lengths are 2.48 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zr2Al3Ni by Materials Project

Zr2NiAl3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to four equivalent Zr, three equivalent Ni, and nine equivalent Al atoms. There are one shorter (3.13 Å) and three longer (3.21 Å) Zr–Zr bond lengths. All Zr–Ni bond lengths are 3.09 Å. There are three shorter (2.99 Å) and six longer (3.07 Å) Zr–Al bond lengths. Ni is bonded to six equivalent Zr and six equivalent Al atoms to form NiZr6Al6 cuboctahedra that share corners with six equivalent NiZr6Al6 cuboctahedra, corners with twelve equivalent AlZr6Al4Ni2 cuboctahedra, edges with six equivalent NiZr6Al6 cuboctahedra, and faces with eighteen equivalent AlZr6Al4Ni2 cuboctahedra. All Ni–Al bond lengths are 2.57 Å. Al is bonded to six equivalent Zr, two equivalent Ni, and four equivalent Al atoms to form distorted AlZr6Al4Ni2 cuboctahedra that share corners with four equivalent NiZr6Al6 cuboctahedra, corners with fourteen equivalent AlZr6Al4Ni2 cuboctahedra, edges with six equivalent AlZr6Al4Ni2 cuboctahedra, faces with six equivalent NiZr6Al6 cuboctahedra, and faces with twelve equivalent AlZr6Al4Ni2 cuboctahedra. All Al–Al bond lengths are 2.64 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zr6Al16Ni7 by Materials Project

Zr6Ni7Al16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a 4-coordinate geometry to four equivalent Ni and eight Al atoms. All Zr–Ni bond lengths are 3.11 Å. There are four shorter (2.86 Å) and four longer (3.07 Å) Zr–Al bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Zr and eight Al atoms to form a mixture of distorted corner and face-sharing NiZr4Al8 cuboctahedra. There are four shorter (2.47 Å) and four longer (2.66 Å) Ni–Al bond lengths. In the second Ni site, Ni is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Ni–Al bond lengths are 2.50 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to three equivalent Zr, three equivalent Ni, and three equivalent Al atoms. All Al–Al bond lengths are 2.72 Å. In the second Al site, Al is bonded in a 4-coordinate geometry to three equivalent Zr, four Ni, and six Al atoms. All Al–Al bond lengths are 2.88 Å.

36 MATERIALS SCIENCE↗