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14 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 OSTI2022

First-principles study of Al/Al 3 Ni interfaces

Al-Ni alloys have shown promise for high-temperature applications due to the strengthening of Al 3 Ni fibers resistant to coarsening and spheroidization up to 400°C. While the interface between Al and Al 3 Ni phases affects the coarsening rate of Al 3 Ni at elevated temperatures, its characteristics are largely unknown to date. Here, we have constructed various supercells to model this interface and performed a first-principles study based on density functional theory (DFT). We have considered three groups of Al/Al 3 Ni interfaces: experimentally reported orientation relationships from the solidification studies, crystallographically similar Fe-Fe 3 C pearlite interfaces, and the family of low-index (100) termination planes. We have analyzed the correlation between the DFT Al/Al 3 Ni interfacial energies and characteristic features, e.g., excess free volume and the number of broken bonds. We outline the further experimental and computational analysis required to improve the interface modeling of Al/Al 3 Ni.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Effects of tensile loading during annealing of alnico melt spun ribbons

Conventional magnetic annealing (MA) of the permanent magnet alloy alnico involves application of an external magnetic field at temperatures within the spinodal decomposition range. This field biases the growth of the Fe-Co rich, ferromagnetic α 1 -phase in an energetically favorable 〈001〉 direction in alignment with the applied field within an Al-Ni rich, paramagnetic α 2 -phase. Utilizing a magnetic field to bias the α 1 -phase may limit alnico from reaching theoretical coercivity due to (1) the field having maximum biasing ability at temperatures near the Curie temperature where large α 1 -phase nanorods form and (2) connectivity of the α 1 -phase occurs unavoidably during MA. Both decrease the effective shape anisotropy of the α 1 -phase, thereby reducing coercivity. Herein, we explore tensile-loading as a biasing mechanism to control and optimize the final alnico nanostructure beyond that achieved by MA. Two samples of melt-spun alnico were heat-treated at 860 °C for 5 minutes: one sample was subjected to 10 MPa tensile stress for comparison with a stress-free control sample. Structural and magnetic characterization revealed that the stress-annealed ribbon sample possessed expected phase assemblages, but was distinguished by a ∼2× larger grain diameter and an elongated anisotropic α 1 -phase within grains that were oriented to a shear stress along 〈001〉 directions at an angle of ∼45° relative to the loading direction. Both types of annealing produced a similar increase in the coercivity and remanence, but a decrease in saturation magnetization.

Rinko, E. A.↗
DOE OSTI2020

Materials Data on Al3Ni2 by Materials Project

Al3Ni2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ni is bonded in a body-centered cubic geometry to eight Al atoms. There are a spread of Ni–Al bond distances ranging from 2.44–2.54 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 6-coordinate geometry to six equivalent Ni atoms. In the second Al site, Al is bonded in a 5-coordinate geometry to five equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlNi by Materials Project

NiAl is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ni is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Ni–Al bond lengths are 2.50 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Al3Ni5 by Materials Project

Ni5Al3 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to six Ni and six Al atoms. There are two shorter (2.60 Å) and four longer (2.65 Å) Ni–Ni bond lengths. There are a spread of Ni–Al bond distances ranging from 2.39–2.55 Å. In the second Ni site, Ni is bonded to six Ni and six Al atoms to form distorted NiAl6Ni6 cuboctahedra that share corners with twelve equivalent NiAl6Ni6 cuboctahedra, edges with four equivalent NiAl4Ni8 cuboctahedra, and faces with eight NiAl6Ni6 cuboctahedra. Both Ni–Ni bond lengths are 2.50 Å. All Ni–Al bond lengths are 2.50 Å. In the third Ni site, Ni is bonded to eight Ni and four equivalent Al atoms to form distorted NiAl4Ni8 cuboctahedra that share corners with four equivalent NiAl4Ni8 cuboctahedra, edges with eight equivalent NiAl6Ni6 cuboctahedra, and faces with six NiAl6Ni6 cuboctahedra. All Ni–Al bond lengths are 2.52 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to ten Ni atoms. In the second Al site, Al is bonded in a distorted body-centered cubic geometry to eight Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Al4Ni3 by Materials Project

Al4Ni3 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Ni is bonded in a body-centered cubic geometry to eight Al atoms. There are a spread of Ni–Al bond distances ranging from 2.44–2.53 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 6-coordinate geometry to six equivalent Ni atoms. In the second Al site, Al is bonded in a 6-coordinate geometry to six equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlNi3 by Materials Project

Ni3Al is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ni is bonded to eight equivalent Ni and four equivalent Al atoms to form NiAl4Ni8 cuboctahedra that share corners with twelve equivalent NiAl4Ni8 cuboctahedra, edges with eight equivalent AlNi12 cuboctahedra, edges with sixteen equivalent NiAl4Ni8 cuboctahedra, faces with four equivalent AlNi12 cuboctahedra, and faces with fourteen equivalent NiAl4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.52 Å. All Ni–Al bond lengths are 2.52 Å. Al is bonded to twelve equivalent Ni atoms to form AlNi12 cuboctahedra that share corners with twelve equivalent AlNi12 cuboctahedra, edges with twenty-four equivalent NiAl4Ni8 cuboctahedra, faces with six equivalent AlNi12 cuboctahedra, and faces with twelve equivalent NiAl4Ni8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Al3Ni by Materials Project

Al3Ni is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ni is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Ni–Al bond distances ranging from 2.43–2.70 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to three equivalent Ni atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlNi3 by Materials Project

Ni3Al is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted body-centered cubic geometry to four equivalent Ni and four equivalent Al atoms. All Ni–Ni bond lengths are 2.45 Å. All Ni–Al bond lengths are 2.45 Å. In the second Ni site, Ni is bonded in a 8-coordinate geometry to eight equivalent Ni and six equivalent Al atoms. All Ni–Al bond lengths are 2.83 Å. Al is bonded in a distorted body-centered cubic geometry to fourteen Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlNi2 by Materials Project

Ni2Al crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 8-coordinate geometry to three equivalent Ni and five equivalent Al atoms. All Ni–Ni bond lengths are 2.49 Å. There are a spread of Ni–Al bond distances ranging from 2.40–2.49 Å. In the second Ni site, Ni is bonded in a 8-coordinate geometry to eight Ni and six equivalent Al atoms. Both Ni–Ni bond lengths are 2.47 Å. All Ni–Al bond lengths are 2.78 Å. In the third Ni site, Ni is bonded in a 8-coordinate geometry to two equivalent Ni and six equivalent Al atoms. All Ni–Al bond lengths are 2.50 Å. Al is bonded in a distorted body-centered cubic geometry to eleven Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlNi by Materials Project

NiAl crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ni is bonded in a 12-coordinate geometry to six equivalent Al atoms. There are four shorter (2.48 Å) and two longer (2.53 Å) Ni–Al bond lengths. Al is bonded in a 12-coordinate geometry to six equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlNi3 by Materials Project

Ni3Al is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ni sites. In the first Ni site, Ni is bonded to eight Ni and four equivalent Al atoms to form distorted NiAl4Ni8 cuboctahedra that share corners with four equivalent AlNi12 cuboctahedra, corners with fourteen NiAl4Ni8 cuboctahedra, edges with six equivalent AlNi12 cuboctahedra, edges with twelve NiAl4Ni8 cuboctahedra, faces with four equivalent AlNi12 cuboctahedra, and faces with sixteen NiAl4Ni8 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.49–2.55 Å. There are two shorter (2.51 Å) and two longer (2.53 Å) Ni–Al bond lengths. In the second Ni site, Ni is bonded to eight Ni and four equivalent Al atoms to form distorted NiAl4Ni8 cuboctahedra that share corners with four equivalent AlNi12 cuboctahedra, corners with fourteen NiAl4Ni8 cuboctahedra, edges with six equivalent AlNi12 cuboctahedra, edges with twelve NiAl4Ni8 cuboctahedra, faces with four equivalent AlNi12 cuboctahedra, and faces with sixteen NiAl4Ni8 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.49–2.55 Å. There are two shorter (2.51 Å) and two longer (2.53 Å) Ni–Al bond lengths. Al is bonded to twelve Ni atoms to form AlNi12 cuboctahedra that share corners with six equivalent AlNi12 cuboctahedra, corners with twelve NiAl4Ni8 cuboctahedra, edges with eighteen NiAl4Ni8 cuboctahedra, faces with eight equivalent AlNi12 cuboctahedra, and faces with twelve NiAl4Ni8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Al2Ni3 by Materials Project

Ni3Al2 is Heusler-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 8-coordinate geometry to four equivalent Ni and four equivalent Al atoms. All Ni–Ni bond lengths are 2.49 Å. All Ni–Al bond lengths are 2.44 Å. In the second Ni site, Ni is bonded in a body-centered cubic geometry to eight Al atoms. There are four shorter (2.49 Å) and four longer (2.52 Å) Ni–Al bond lengths. In the third Ni site, Ni is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Ni–Al bond lengths are 2.49 Å. In the fourth Ni site, Ni is bonded in a 8-coordinate geometry to twelve Ni and two equivalent Al atoms. All Ni–Ni bond lengths are 2.81 Å. Both Ni–Al bond lengths are 2.93 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a body-centered cubic geometry to nine Ni atoms. In the second Al site, Al is bonded in a body-centered cubic geometry to eight Ni atoms.

36 MATERIALS SCIENCE↗