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7 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Lightweight High-Temperature Alloys Based on the AlFeSi System

Automotive applications need low-cost, lightweight, high-temperature alloys to enhance efficiencies in systems such as internal combustion engines. The aluminum-iron-silicon (Al-Fe-Si) system provides an opportunity to develop such a material, as it comprises three of the lowest cost elements abundant in nature. Specifically, the $τ_{11}$-Al 4 Fe 1.7 Si (historically called $τ_{10}$) ternary intermetallic phase is a lightweight and low-cost phase with promising mechanical properties at high temperatures. However, the $τ_{11}$-Al 4 Fe 1.7 Si phase has a narrow compositional range, which should be expanded to use this alloy at a commercial scale. To increase this compositional range, equilibrium phase boundaries were expanded using alloy design strategies.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Al2(FeSi)3 by Materials Project

Al2Fe3Si3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded to six Si4- atoms to form a mixture of distorted corner and edge-sharing FeSi6 pentagonal pyramids. There are a spread of Fe–Si bond distances ranging from 2.22–2.51 Å. In the second Fe2+ site, Fe2+ is bonded in a 3-coordinate geometry to three Si4- atoms. There are a spread of Fe–Si bond distances ranging from 2.30–2.35 Å. In the third Fe2+ site, Fe2+ is bonded in a 6-coordinate geometry to six Si4- atoms. There are a spread of Fe–Si bond distances ranging from 2.26–2.53 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded in a 1-coordinate geometry to four Si4- atoms. There are a spread of Al–Si bond distances ranging from 2.48–3.02 Å. In the second Al3+ site, Al3+ is bonded in a 3-coordinate geometry to four Si4- atoms. There are a spread of Al–Si bond distances ranging from 2.65–3.04 Å. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 11-coordinate geometry to five Fe2+, five Al3+, and one Si4- atom. The Si–Si bond length is 2.49 Å. In the second Si4- site, Si4- is bonded in a 7-coordinate geometry to four Fe2+, one Al3+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.38 Å. In the third Si4- site, Si4- is bonded in a 8-coordinate geometry to six Fe2+ and two equivalent Al3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Al2Fe3Si4 by Materials Project

Al2Fe3Si4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 10-coordinate geometry to one Fe, two equivalent Al, and seven Si atoms. The Fe–Fe bond length is 2.52 Å. There are one shorter (2.53 Å) and one longer (2.62 Å) Fe–Al bond lengths. There are a spread of Fe–Si bond distances ranging from 2.33–2.56 Å. In the second Fe site, Fe is bonded in a 9-coordinate geometry to four equivalent Al and five Si atoms. All Fe–Al bond lengths are 2.56 Å. There are a spread of Fe–Si bond distances ranging from 2.28–2.42 Å. Al is bonded in a 11-coordinate geometry to four Fe, two equivalent Al, and five Si atoms. There are one shorter (2.61 Å) and one longer (2.84 Å) Al–Al bond lengths. There are a spread of Al–Si bond distances ranging from 2.55–2.85 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four Fe, two equivalent Al, and three Si atoms. There are two shorter (2.51 Å) and one longer (2.75 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a distorted q6 geometry to five Fe, four equivalent Al, and one Si atom. The Si–Si bond length is 2.38 Å. In the third Si site, Si is bonded in a 2-coordinate geometry to six Fe, two equivalent Al, and three Si atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Al3FeSi2 by Materials Project

Al3FeSi2 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Fe is bonded in a 10-coordinate geometry to six Al and four equivalent Si atoms. There are a spread of Fe–Al bond distances ranging from 2.37–2.59 Å. There are two shorter (2.44 Å) and two longer (2.46 Å) Fe–Si bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to two equivalent Fe, four equivalent Al, and four equivalent Si atoms. There are two shorter (2.66 Å) and two longer (2.71 Å) Al–Al bond lengths. There are two shorter (2.67 Å) and two longer (2.72 Å) Al–Si bond lengths. In the second Al site, Al is bonded in a 9-coordinate geometry to two equivalent Fe, three Al, and four equivalent Si atoms. The Al–Al bond length is 2.75 Å. There are a spread of Al–Si bond distances ranging from 2.60–2.77 Å. Si is bonded in a 9-coordinate geometry to two equivalent Fe, six Al, and one Si atom. The Si–Si bond length is 2.68 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlFe2Si by Materials Project

Fe2AlSi is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Fe is bonded in a body-centered cubic geometry to four equivalent Al and four equivalent Si atoms. All Fe–Al bond lengths are 2.42 Å. All Fe–Si bond lengths are 2.42 Å. Al is bonded in a distorted body-centered cubic geometry to eight equivalent Fe and six equivalent Si atoms. All Al–Si bond lengths are 2.80 Å. Si is bonded in a distorted body-centered cubic geometry to eight equivalent Fe and six equivalent Al atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Al3Fe2Si by Materials Project

Fe2Al3Si crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Fe is bonded in a 9-coordinate geometry to six equivalent Al and three equivalent Si atoms. There are three shorter (2.47 Å) and three longer (2.64 Å) Fe–Al bond lengths. All Fe–Si bond lengths are 2.37 Å. Al is bonded in a 2-coordinate geometry to four equivalent Fe and two equivalent Si atoms. Both Al–Si bond lengths are 2.67 Å. Si is bonded to six equivalent Fe and six equivalent Al atoms to form face-sharing SiAl6Fe6 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Al3FeSi2 by Materials Project

Al3FeSi2 crystallizes in the tetragonal I4cm space group. The structure is three-dimensional. Fe is bonded in a 10-coordinate geometry to six Al and four equivalent Si atoms. There are a spread of Fe–Al bond distances ranging from 2.32–2.50 Å. All Fe–Si bond lengths are 2.49 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to two equivalent Fe, four equivalent Al, and four equivalent Si atoms. All Al–Al bond lengths are 2.67 Å. All Al–Si bond lengths are 2.69 Å. In the second Al site, Al is bonded in a 9-coordinate geometry to two equivalent Fe, three Al, and four equivalent Si atoms. The Al–Al bond length is 2.74 Å. There are a spread of Al–Si bond distances ranging from 2.58–2.79 Å. Si is bonded in a 9-coordinate geometry to two equivalent Fe, six Al, and one Si atom. The Si–Si bond length is 2.52 Å.

36 MATERIALS SCIENCE↗