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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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9 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Irradiation-induced amorphization of Fe-Y-based second phase particles in accident-tolerant FeCrAl alloys

Here, second phase intermetallic particles in an advanced accident-tolerant FeCrAl (Fe-13Cr-5Al-2Mo) alloy are formed in the α-Fe matrix during processing. These particles are prominently related to the added Y. Neutron irradiation to ~7 displacements per atom (dpa) with a dose rate of ~8.16 × 10 -7 dpa/s at 282 °C resulted in the amorphization of these precipitates which could degrade the mechanical properties of the FeCrAl alloys. Analytical electron microscopy and diffraction analysis combined with structural freedom analysis have been used to investigate the radiation resistance of the second phase particles. Radiation tolerance is closely linked to the particle Fe-Y content and can be tailored using the structure freedom value.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YFe5 by Materials Project

YFe5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Y is bonded in a 6-coordinate geometry to eighteen Fe atoms. There are six shorter (2.93 Å) and twelve longer (3.21 Å) Y–Fe bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to four equivalent Y and eight Fe atoms to form a mixture of corner, edge, and face-sharing FeY4Fe8 cuboctahedra. There are four shorter (2.45 Å) and four longer (2.54 Å) Fe–Fe bond lengths. In the second Fe site, Fe is bonded in a 12-coordinate geometry to three equivalent Y and six equivalent Fe atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y3Fe29 by Materials Project

Y3Fe29 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 12-coordinate geometry to twenty Fe atoms. There are a spread of Y–Fe bond distances ranging from 2.99–3.23 Å. In the second Y site, Y is bonded in a 11-coordinate geometry to nineteen Fe atoms. There are a spread of Y–Fe bond distances ranging from 2.99–3.29 Å. There are eleven inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Y and ten Fe atoms to form FeY2Fe10 cuboctahedra that share corners with eighteen FeY2Fe10 cuboctahedra, edges with eight FeY3Fe9 cuboctahedra, and faces with fourteen FeY2Fe10 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.36–2.58 Å. In the second Fe site, Fe is bonded to two equivalent Y and ten Fe atoms to form a mixture of corner, edge, and face-sharing FeY2Fe10 cuboctahedra. There are eight shorter (2.44 Å) and two longer (2.60 Å) Fe–Fe bond lengths. In the third Fe site, Fe is bonded in a 2-coordinate geometry to one Y and thirteen Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.39–2.89 Å. In the fourth Fe site, Fe is bonded in a 2-coordinate geometry to one Y and thirteen Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.57–2.91 Å. In the fifth Fe site, Fe is bonded to two Y and ten Fe atoms to form a mixture of distorted corner, edge, and face-sharing FeY2Fe10 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.39–2.68 Å. In the sixth Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Y and ten Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.45–2.60 Å. In the seventh Fe site, Fe is bonded in a 2-coordinate geometry to one Y and thirteen Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.40–2.60 Å. In the eighth Fe site, Fe is bonded to two Y and ten Fe atoms to form a mixture of distorted corner, edge, and face-sharing FeY2Fe10 cuboctahedra. Both Fe–Fe bond lengths are 2.42 Å. In the ninth Fe site, Fe is bonded to two Y and ten Fe atoms to form a mixture of corner, edge, and face-sharing FeY2Fe10 cuboctahedra. There are one shorter (2.43 Å) and one longer (2.46 Å) Fe–Fe bond lengths. In the tenth Fe site, Fe is bonded to three Y and nine Fe atoms to form a mixture of corner, edge, and face-sharing FeY3Fe9 cuboctahedra. Both Fe–Fe bond lengths are 2.46 Å. In the eleventh Fe site, Fe is bonded to three equivalent Y and nine Fe atoms to form a mixture of corner, edge, and face-sharing FeY3Fe9 cuboctahedra. The Fe–Fe bond length is 2.45 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YFe2 by Materials Project

YFe2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to twelve equivalent Fe atoms. All Y–Fe bond lengths are 3.02 Å. Fe is bonded to six equivalent Y and six equivalent Fe atoms to form a mixture of corner, edge, and face-sharing FeY6Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.58 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y2Fe17 by Materials Project

Y2Fe17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 12-coordinate geometry to eighteen Fe atoms. There are a spread of Y–Fe bond distances ranging from 2.99–3.29 Å. In the second Y site, Y is bonded in a 8-coordinate geometry to twenty Fe atoms. There are a spread of Y–Fe bond distances ranging from 2.93–3.20 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 2-coordinate geometry to one Y and thirteen Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.36–2.78 Å. In the second Fe site, Fe is bonded to two equivalent Y and ten Fe atoms to form FeY2Fe10 cuboctahedra that share corners with fourteen FeY2Fe10 cuboctahedra, edges with six equivalent FeY3Fe9 cuboctahedra, and faces with ten FeY2Fe10 cuboctahedra. There are four shorter (2.44 Å) and four longer (2.47 Å) Fe–Fe bond lengths. In the third Fe site, Fe is bonded in a 12-coordinate geometry to two Y and ten Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.46–2.59 Å. In the fourth Fe site, Fe is bonded to three Y and nine Fe atoms to form a mixture of distorted face, edge, and corner-sharing FeY3Fe9 cuboctahedra. Both Fe–Fe bond lengths are 2.47 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YFe2 by Materials Project

YFe2 is Cubic Laves structured and crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are five inequivalent Y sites. In the first Y site, Y is bonded in a 12-coordinate geometry to twelve equivalent Fe atoms. All Y–Fe bond lengths are 3.00 Å. In the second Y site, Y is bonded in a 12-coordinate geometry to twelve Fe atoms. There are eight shorter (3.01 Å) and four longer (3.02 Å) Y–Fe bond lengths. In the third Y site, Y is bonded in a 12-coordinate geometry to twelve Fe atoms. There are a spread of Y–Fe bond distances ranging from 3.00–3.04 Å. In the fourth Y site, Y is bonded in a 12-coordinate geometry to twelve Fe atoms. There are a spread of Y–Fe bond distances ranging from 2.99–3.05 Å. In the fifth Y site, Y is bonded in a 12-coordinate geometry to twelve Fe atoms. There are a spread of Y–Fe bond distances ranging from 2.97–3.03 Å. There are five inequivalent Fe sites. In the first Fe site, Fe is bonded to six Y and six Fe atoms to form a mixture of face, edge, and corner-sharing FeY6Fe6 cuboctahedra. There are three shorter (2.54 Å) and three longer (2.56 Å) Fe–Fe bond lengths. In the second Fe site, Fe is bonded to six Y and six Fe atoms to form a mixture of face, edge, and corner-sharing FeY6Fe6 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.56–2.58 Å. In the third Fe site, Fe is bonded to six Y and six Fe atoms to form a mixture of face, edge, and corner-sharing FeY6Fe6 cuboctahedra. There are two shorter (2.55 Å) and three longer (2.56 Å) Fe–Fe bond lengths. In the fourth Fe site, Fe is bonded to six Y and six Fe atoms to form a mixture of face, edge, and corner-sharing FeY6Fe6 cuboctahedra. There are one shorter (2.53 Å) and four longer (2.58 Å) Fe–Fe bond lengths. In the fifth Fe site, Fe is bonded to six Y and six Fe atoms to form a mixture of face, edge, and corner-sharing FeY6Fe6 cuboctahedra. The Fe–Fe bond length is 2.63 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YFe3 by Materials Project

YFe3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 12-coordinate geometry to twelve Fe atoms. There are a spread of Y–Fe bond distances ranging from 2.95–3.05 Å. In the second Y site, Y is bonded in a 6-coordinate geometry to eighteen Fe atoms. There are six shorter (2.95 Å) and twelve longer (3.22 Å) Y–Fe bond lengths. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded to five Y and seven Fe atoms to form a mixture of edge, face, and corner-sharing FeY5Fe7 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.45–2.56 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to three equivalent Y and six equivalent Fe atoms. In the third Fe site, Fe is bonded in a 12-coordinate geometry to three equivalent Y and six equivalent Fe atoms. In the fourth Fe site, Fe is bonded to six equivalent Y and six equivalent Fe atoms to form FeY6Fe6 cuboctahedra that share corners with twelve equivalent FeY5Fe7 cuboctahedra, edges with six equivalent FeY6Fe6 cuboctahedra, and faces with eighteen equivalent FeY5Fe7 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y2Fe17 by Materials Project

Y2Fe17 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Y is bonded in a 10-coordinate geometry to nineteen Fe atoms. There are a spread of Y–Fe bond distances ranging from 3.02–3.26 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Y and ten Fe atoms to form FeY2Fe10 cuboctahedra that share corners with fourteen FeY2Fe10 cuboctahedra, edges with six equivalent FeY3Fe9 cuboctahedra, and faces with ten FeY2Fe10 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.42–2.60 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Y and ten Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.49–2.76 Å. In the third Fe site, Fe is bonded to three equivalent Y and nine Fe atoms to form a mixture of face, edge, and corner-sharing FeY3Fe9 cuboctahedra. There are two shorter (2.48 Å) and one longer (2.64 Å) Fe–Fe bond lengths. In the fourth Fe site, Fe is bonded in a 2-coordinate geometry to one Y and thirteen Fe atoms. The Fe–Fe bond length is 2.38 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YFe2 by Materials Project

YFe2 is Cubic Laves-like structured and crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are four inequivalent Y sites. In the first Y site, Y is bonded in a 12-coordinate geometry to twelve Fe atoms. There are a spread of Y–Fe bond distances ranging from 3.01–3.03 Å. In the second Y site, Y is bonded in a 12-coordinate geometry to twelve Fe atoms. There are four shorter (3.01 Å) and eight longer (3.02 Å) Y–Fe bond lengths. In the third Y site, Y is bonded in a 12-coordinate geometry to twelve Fe atoms. There are a spread of Y–Fe bond distances ranging from 2.99–3.04 Å. In the fourth Y site, Y is bonded in a 12-coordinate geometry to twelve Fe atoms. There are a spread of Y–Fe bond distances ranging from 2.98–3.06 Å. There are five inequivalent Fe sites. In the first Fe site, Fe is bonded to six Y and six Fe atoms to form a mixture of face, edge, and corner-sharing FeY6Fe6 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.54–2.62 Å. In the second Fe site, Fe is bonded to six Y and six Fe atoms to form a mixture of face, edge, and corner-sharing FeY6Fe6 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.56–2.61 Å. In the third Fe site, Fe is bonded to six Y and six Fe atoms to form a mixture of face, edge, and corner-sharing FeY6Fe6 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.55–2.60 Å. In the fourth Fe site, Fe is bonded to six Y and six Fe atoms to form a mixture of face, edge, and corner-sharing FeY6Fe6 cuboctahedra. There are one shorter (2.54 Å) and three longer (2.56 Å) Fe–Fe bond lengths. In the fifth Fe site, Fe is bonded to six Y and six Fe atoms to form a mixture of face, edge, and corner-sharing FeY6Fe6 cuboctahedra.

36 MATERIALS SCIENCE↗