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8 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Sluggish atomic dynamics in a Y-Sc-Co-Al high entropy bulk metallic glass

We present how 20 at% Sc addition affects the atomic packing and dynamics in a Y-Co-Al metallic glass (MG) and find that it greatly suppresses the dynamics of Co atoms by reducing the atomic packing difference in their surroundings. The Co atoms tending to be mobile or static depend on their nearest neighbors, i.e., possessing more Y/Y+Sc atoms but fewer Co atoms or vice versa. The X-ray absorption fine structure results confirm that Sc addition mainly changes the local environment around Co atoms, forming more Co-Co and Co-Sc pairs but significantly fewer Co-Y pairs than in the ternary counterpart, which can seriously slow the atomic dynamics and stabilize the competing phases. Our findings shed new light on the understanding of strong glass forming ability of the Sc-added Y-based high entropy MG from its local structure and dynamics and will be helpful in developing new bulk MGs.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YCo2 by Materials Project

YCo2 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 Co atoms. All Y–Co bond lengths are 2.96 Å. Co is bonded to six equivalent Y and six equivalent Co atoms to form a mixture of edge, face, and corner-sharing CoY6Co6 cuboctahedra. All Co–Co bond lengths are 2.52 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YCo3 by Materials Project

YCo3 crystallizes in the trigonal R-3m 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 Co atoms. There are a spread of Y–Co bond distances ranging from 2.88–3.10 Å. In the second Y site, Y is bonded in a 6-coordinate geometry to eighteen Co atoms. There are six shorter (2.88 Å) and twelve longer (3.18 Å) Y–Co bond lengths. There are three inequivalent Co sites. In the first Co site, Co is bonded to five Y and seven Co atoms to form a mixture of edge, face, and corner-sharing CoY5Co7 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.42–2.54 Å. In the second Co site, Co is bonded to six equivalent Y and six equivalent Co atoms to form CoY6Co6 cuboctahedra that share corners with twelve equivalent CoY5Co7 cuboctahedra, edges with six equivalent CoY6Co6 cuboctahedra, and faces with eighteen equivalent CoY5Co7 cuboctahedra. In the third Co site, Co is bonded in a 12-coordinate geometry to three equivalent Y and six equivalent Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y2Co17 by Materials Project

Y2Co17 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 2-coordinate geometry to twenty Co atoms. There are a spread of Y–Co bond distances ranging from 2.91–3.15 Å. In the second Y site, Y is bonded in a 12-coordinate geometry to eighteen Co atoms. There are a spread of Y–Co bond distances ranging from 2.95–3.25 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to two Y and ten Co atoms. There are a spread of Co–Co bond distances ranging from 2.36–2.67 Å. In the second Co site, Co is bonded to two equivalent Y and ten Co atoms to form CoY2Co10 cuboctahedra that share corners with fourteen CoY3Co9 cuboctahedra, edges with six equivalent CoY3Co9 cuboctahedra, and faces with ten CoY2Co10 cuboctahedra. There are four shorter (2.41 Å) and two longer (2.56 Å) Co–Co bond lengths. In the third Co site, Co is bonded in a 2-coordinate geometry to one Y and thirteen Co atoms. There are one shorter (2.32 Å) and three longer (2.61 Å) Co–Co bond lengths. In the fourth Co site, Co is bonded to three Y and nine Co atoms to form distorted CoY3Co9 cuboctahedra that share corners with fifteen CoY3Co9 cuboctahedra, edges with eight CoY3Co9 cuboctahedra, and faces with ten CoY2Co10 cuboctahedra. Both Co–Co bond lengths are 2.42 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y8Co5 by Materials Project

Y8Co5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are eight inequivalent Y sites. In the first Y site, Y is bonded in a 4-coordinate geometry to four Co atoms. There are a spread of Y–Co bond distances ranging from 2.76–3.19 Å. In the second Y site, Y is bonded in a 5-coordinate geometry to five Co atoms. There are a spread of Y–Co bond distances ranging from 2.76–2.96 Å. In the third Y site, Y is bonded in a 6-coordinate geometry to six Co atoms. There are a spread of Y–Co bond distances ranging from 2.87–3.15 Å. In the fourth Y site, Y is bonded in a 4-coordinate geometry to four Co atoms. There are a spread of Y–Co bond distances ranging from 2.74–2.89 Å. In the fifth Y site, Y is bonded in a 4-coordinate geometry to five Co atoms. There are a spread of Y–Co bond distances ranging from 2.80–3.56 Å. In the sixth Y site, Y is bonded in a 4-coordinate geometry to five Co atoms. There are a spread of Y–Co bond distances ranging from 2.76–3.62 Å. In the seventh Y site, Y is bonded in a 4-coordinate geometry to four Co atoms. There are a spread of Y–Co bond distances ranging from 2.80–3.20 Å. In the eighth Y site, Y is bonded in a 4-coordinate geometry to four Co atoms. There are a spread of Y–Co bond distances ranging from 2.74–3.34 Å. There are five inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to eight Y and one Co atom. The Co–Co bond length is 2.31 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to seven Y and two Co atoms. There are one shorter (2.34 Å) and one longer (2.45 Å) Co–Co bond lengths. In the third Co site, Co is bonded in a 9-coordinate geometry to eight Y and one Co atom. The Co–Co bond length is 2.43 Å. In the fourth Co site, Co is bonded in a 9-coordinate geometry to seven Y and two Co atoms. In the fifth Co site, Co is bonded in a 8-coordinate geometry to seven Y and one Co atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y3Co2 by Materials Project

Y3Co2 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are three inequivalent Y sites. In the first Y site, Y is bonded in a 4-coordinate geometry to five Co atoms. There are a spread of Y–Co bond distances ranging from 2.81–3.66 Å. In the second Y site, Y is bonded in a distorted trigonal non-coplanar geometry to three Co atoms. There are two shorter (2.74 Å) and one longer (3.07 Å) Y–Co bond lengths. In the third Y site, Y is bonded in a 7-coordinate geometry to seven Co atoms. There are a spread of Y–Co bond distances ranging from 2.91–3.22 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to eight Y and one Co atom. The Co–Co bond length is 2.37 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to seven Y and two Co atoms. The Co–Co bond length is 2.41 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YCo by Materials Project

YCo crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y is bonded in a 7-coordinate geometry to seven equivalent Co atoms. There are a spread of Y–Co bond distances ranging from 2.89–3.08 Å. Co is bonded in a 9-coordinate geometry to seven equivalent Y and two equivalent Co atoms. Both Co–Co bond lengths are 2.26 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YCo by Materials Project

YCo crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three YCo sheets oriented in the (0, 0, 1) direction. Y is bonded in a 6-coordinate geometry to six equivalent Co atoms. There are three shorter (2.87 Å) and three longer (2.89 Å) Y–Co bond lengths. Co is bonded in a 9-coordinate geometry to six equivalent Y and three equivalent Co atoms. All Co–Co bond lengths are 2.26 Å.

36 MATERIALS SCIENCE↗