Crystal structure and phase stability of AlSc in the near-equiatomic Al-Sc alloy

Juan Li, Li Huang, Yongfeng Liang, Feng Ye, Junpin Lin, Shunli Shang, Zi-kui Liu

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

Intermetallic compound AlSc is found in the equiatomic Al-Sc binary alloy. The present work indicates that the orthorhombic AlSc with the Au2CuZn-type structure can be formed at 50 at.% Sc, while the CsCl-type (B2) AlSc will be formed at 55 at.% Sc. After annealing at 1100 °C, some orthorhombic AlSc grains transit to the B2 structure, and the annealing at lower temperatures leads to the disappearance of B2 phase, indicating that the B2 AlSc is also a metastable phase in the alloy at lower Sc content (<50 at.%). First-principle calculations at 0 K reveal that the orthorhombic AlSc is more stable than the B2 AlSc with the energy difference between them being 5.4 meV/atom. The fast transition between these two phases, which cannot be interpreted by the mechanism of atomic diffusion, was tentatively analyzed by the volume change based on the calculated atomic positions of these two phases.

Original languageEnglish (US)
Pages (from-to)192-196
Number of pages5
JournalJournal of Alloys and Compounds
Volume618
DOIs
StatePublished - Jan 5 2015

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Phase stability
Crystal structure
Annealing
Metastable phases
Binary alloys
Intermetallics
Atoms
Temperature
cesium chloride

All Science Journal Classification (ASJC) codes

  • Mechanics of Materials
  • Mechanical Engineering
  • Metals and Alloys
  • Materials Chemistry

Cite this

Li, Juan ; Huang, Li ; Liang, Yongfeng ; Ye, Feng ; Lin, Junpin ; Shang, Shunli ; Liu, Zi-kui. / Crystal structure and phase stability of AlSc in the near-equiatomic Al-Sc alloy. In: Journal of Alloys and Compounds. 2015 ; Vol. 618. pp. 192-196.
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abstract = "Intermetallic compound AlSc is found in the equiatomic Al-Sc binary alloy. The present work indicates that the orthorhombic AlSc with the Au2CuZn-type structure can be formed at 50 at.{\%} Sc, while the CsCl-type (B2) AlSc will be formed at 55 at.{\%} Sc. After annealing at 1100 °C, some orthorhombic AlSc grains transit to the B2 structure, and the annealing at lower temperatures leads to the disappearance of B2 phase, indicating that the B2 AlSc is also a metastable phase in the alloy at lower Sc content (<50 at.{\%}). First-principle calculations at 0 K reveal that the orthorhombic AlSc is more stable than the B2 AlSc with the energy difference between them being 5.4 meV/atom. The fast transition between these two phases, which cannot be interpreted by the mechanism of atomic diffusion, was tentatively analyzed by the volume change based on the calculated atomic positions of these two phases.",
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Crystal structure and phase stability of AlSc in the near-equiatomic Al-Sc alloy. / Li, Juan; Huang, Li; Liang, Yongfeng; Ye, Feng; Lin, Junpin; Shang, Shunli; Liu, Zi-kui.

In: Journal of Alloys and Compounds, Vol. 618, 05.01.2015, p. 192-196.

Research output: Contribution to journalArticle

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T1 - Crystal structure and phase stability of AlSc in the near-equiatomic Al-Sc alloy

AU - Li, Juan

AU - Huang, Li

AU - Liang, Yongfeng

AU - Ye, Feng

AU - Lin, Junpin

AU - Shang, Shunli

AU - Liu, Zi-kui

PY - 2015/1/5

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AB - Intermetallic compound AlSc is found in the equiatomic Al-Sc binary alloy. The present work indicates that the orthorhombic AlSc with the Au2CuZn-type structure can be formed at 50 at.% Sc, while the CsCl-type (B2) AlSc will be formed at 55 at.% Sc. After annealing at 1100 °C, some orthorhombic AlSc grains transit to the B2 structure, and the annealing at lower temperatures leads to the disappearance of B2 phase, indicating that the B2 AlSc is also a metastable phase in the alloy at lower Sc content (<50 at.%). First-principle calculations at 0 K reveal that the orthorhombic AlSc is more stable than the B2 AlSc with the energy difference between them being 5.4 meV/atom. The fast transition between these two phases, which cannot be interpreted by the mechanism of atomic diffusion, was tentatively analyzed by the volume change based on the calculated atomic positions of these two phases.

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