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6 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Formation of a single quasicrystal upon collision of multiple grains

Abstract Quasicrystals exhibit long-range order but lack translational symmetry. When grown as single crystals, they possess distinctive and unusual properties owing to the absence of grain boundaries. Unfortunately, conventional methods such as bulk crystal growth or thin film deposition only allow us to synthesize either polycrystalline quasicrystals or quasicrystals that are at most a few centimeters in size. Here, we reveal through real-time and 3D imaging the formation of a single decagonal quasicrystal arising from a hard collision between multiple growing quasicrystals in an Al-Co-Ni liquid. Through corresponding molecular dynamics simulations, we examine the underlying kinetics of quasicrystal coalescence and investigate the effects of initial misorientation between the growing quasicrystalline grains on the formation of grain boundaries. At small misorientation, coalescence occurs following rigid rotation that is facilitated by phasons. Our joint experimental-computational discovery paves the way toward fabrication of single, large-scale quasicrystals for novel applications.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlCo2Ni by Materials Project

Co2NiAl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Co is bonded in a distorted body-centered cubic geometry to four equivalent Ni and four equivalent Al atoms. All Co–Ni bond lengths are 2.45 Å. All Co–Al bond lengths are 2.45 Å. Ni is bonded in a 8-coordinate geometry to eight equivalent Co 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 eight equivalent Co and six equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlCoNi6 by Materials Project

CoNi6Al is beta Cu3Ti-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Co is bonded to twelve Ni atoms to form CoNi12 cuboctahedra that share corners with four equivalent CoNi12 cuboctahedra, corners with eight equivalent AlNi12 cuboctahedra, edges with twenty-four NiAl4Ni8 cuboctahedra, faces with two equivalent AlNi12 cuboctahedra, faces with four equivalent CoNi12 cuboctahedra, and faces with twelve NiCo4Ni8 cuboctahedra. There are eight shorter (2.46 Å) and four longer (2.49 Å) Co–Ni bond lengths. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to eight equivalent Ni and four equivalent Al atoms to form distorted NiAl4Ni8 cuboctahedra that share corners with twelve NiAl4Ni8 cuboctahedra, edges with eight equivalent CoNi12 cuboctahedra, edges with sixteen equivalent NiAl2Co2Ni8 cuboctahedra, faces with four equivalent AlNi12 cuboctahedra, and faces with fourteen NiAl4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.53 Å. All Ni–Al bond lengths are 2.49 Å. In the second Ni site, Ni is bonded to four equivalent Co and eight equivalent Ni atoms to form NiCo4Ni8 cuboctahedra that share corners with twelve NiAl4Ni8 cuboctahedra, edges with eight equivalent AlNi12 cuboctahedra, edges with sixteen equivalent NiAl2Co2Ni8 cuboctahedra, faces with four equivalent CoNi12 cuboctahedra, and faces with fourteen NiAl4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.46 Å. In the third Ni site, Ni is bonded to two equivalent Co, eight Ni, and two equivalent Al atoms to form NiAl2Co2Ni8 cuboctahedra that share corners with twelve equivalent NiAl2Co2Ni8 cuboctahedra, edges with four equivalent CoNi12 cuboctahedra, edges with four equivalent AlNi12 cuboctahedra, edges with sixteen NiAl4Ni8 cuboctahedra, faces with two equivalent CoNi12 cuboctahedra, faces with two equivalent AlNi12 cuboctahedra, and faces with fourteen NiAl4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.49 Å. Both Ni–Al bond lengths are 2.53 Å. Al is bonded to twelve Ni atoms to form AlNi12 cuboctahedra that share corners with four equivalent AlNi12 cuboctahedra, corners with eight equivalent CoNi12 cuboctahedra, edges with twenty-four NiCo4Ni8 cuboctahedra, faces with two equivalent CoNi12 cuboctahedra, faces with four equivalent AlNi12 cuboctahedra, and faces with twelve NiAl4Ni8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlCo2Ni by Materials Project

Co2NiAl is beta Cu3Ti-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Co is bonded to four equivalent Co, four equivalent Ni, and four equivalent Al atoms to form CoAl4Co4Ni4 cuboctahedra that share corners with twelve equivalent CoAl4Co4Ni4 cuboctahedra, edges with eight equivalent CoAl4Co4Ni4 cuboctahedra, edges with eight equivalent NiAl4Co8 cuboctahedra, edges with eight equivalent AlCo8Ni4 cuboctahedra, faces with four equivalent NiAl4Co8 cuboctahedra, faces with four equivalent AlCo8Ni4 cuboctahedra, and faces with ten equivalent CoAl4Co4Ni4 cuboctahedra. All Co–Co bond lengths are 2.52 Å. All Co–Ni bond lengths are 2.52 Å. All Co–Al bond lengths are 2.52 Å. Ni is bonded to eight equivalent Co and four equivalent Al atoms to form NiAl4Co8 cuboctahedra that share corners with four equivalent NiAl4Co8 cuboctahedra, corners with eight equivalent AlCo8Ni4 cuboctahedra, edges with eight equivalent NiAl4Co8 cuboctahedra, edges with sixteen equivalent CoAl4Co4Ni4 cuboctahedra, faces with four equivalent NiAl4Co8 cuboctahedra, faces with six equivalent AlCo8Ni4 cuboctahedra, and faces with eight equivalent CoAl4Co4Ni4 cuboctahedra. All Ni–Al bond lengths are 2.52 Å. Al is bonded to eight equivalent Co and four equivalent Ni atoms to form AlCo8Ni4 cuboctahedra that share corners with four equivalent AlCo8Ni4 cuboctahedra, corners with eight equivalent NiAl4Co8 cuboctahedra, edges with eight equivalent AlCo8Ni4 cuboctahedra, edges with sixteen equivalent CoAl4Co4Ni4 cuboctahedra, faces with four equivalent AlCo8Ni4 cuboctahedra, faces with six equivalent NiAl4Co8 cuboctahedra, and faces with eight equivalent CoAl4Co4Ni4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Al2CoNi by Materials Project

CoNiAl2 is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Co is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Co–Al bond lengths are 2.48 Å. 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 four equivalent Co and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Al9Co2Ni by Materials Project

Co2NiAl9 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Co–Al bond distances ranging from 2.37–2.52 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Co–Al bond distances ranging from 2.35–2.61 Å. In the third Co site, Co is bonded in a 10-coordinate geometry to ten Al atoms. There are a spread of Co–Al bond distances ranging from 2.50–2.63 Å. Ni is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Ni–Al bond distances ranging from 2.32–2.63 Å. There are ten inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to four Co atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three Co and three Al atoms. There are one shorter (2.50 Å) and two longer (2.64 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 3-coordinate geometry to one Co, two equivalent Ni, and one Al atom. The Al–Al bond length is 2.83 Å. In the fourth Al site, Al is bonded in a bent 150 degrees geometry to two equivalent Ni atoms. In the fifth Al site, Al is bonded in a 4-coordinate geometry to three Co, one Ni, and seven Al atoms. All Al–Al bond lengths are 2.67 Å. In the sixth Al site, Al is bonded in a 3-coordinate geometry to two equivalent Co, one Ni, and one Al atom. The Al–Al bond length is 2.88 Å. In the seventh Al site, Al is bonded in a linear geometry to two equivalent Co atoms. In the eighth Al site, Al is bonded in a 3-coordinate geometry to two Co, one Ni, and one Al atom. In the ninth Al site, Al is bonded in a 3-coordinate geometry to three Co atoms. In the tenth Al site, Al is bonded in a 12-coordinate geometry to four equivalent Co and eight Al atoms.

36 MATERIALS SCIENCE↗