Al2(Mg,Ca) phases in Mg-Al-Ca ternary system: First-principles prediction and experimental identification

Yu Zhong, Jing Liu, Ron A. Witt, Yong ho Sohn, Zi Kui Liu

Research output: Contribution to journalArticle

44 Citations (Scopus)

Abstract

First-principles calculations of three Laves phase structures at Al2Ca and Al2Mg compositions predict the existence of Al2(Mg,Ca) Laves phase. To validate this prediction, a diffusion couple between Mg-30 wt.%Ca alloy and pure Al was assembled and heat-treated at 688 K for 2 weeks. From the cross section of the diffusion couple, backscatter electron microscopy coupled with electron probe microanalysis indicated the existence of Al2(Mg,Ca). Two Laves phases, i.e. C36-Al2(Mg,Ca) and C14-Al2(Mg,Ca), were identified by indexing the electron backscatter diffraction pattern with predicted lattice parameters by first-principles calculations and by diffraction analysis using transmission electron microscopy independently.

Original languageEnglish (US)
Pages (from-to)573-576
Number of pages4
JournalScripta Materialia
Volume55
Issue number6
DOIs
StatePublished - Sep 1 2006

Fingerprint

Laves phases
Ternary systems
ternary systems
Electron probe microanalysis
Phase structure
predictions
Electron diffraction
Diffraction patterns
Electron microscopy
Lattice constants
Diffraction
electron probes
Transmission electron microscopy
microanalysis
lattice parameters
electron microscopy
diffraction patterns
Chemical analysis
heat
transmission electron microscopy

All Science Journal Classification (ASJC) codes

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering
  • Metals and Alloys

Cite this

Zhong, Yu ; Liu, Jing ; Witt, Ron A. ; Sohn, Yong ho ; Liu, Zi Kui. / Al2(Mg,Ca) phases in Mg-Al-Ca ternary system : First-principles prediction and experimental identification. In: Scripta Materialia. 2006 ; Vol. 55, No. 6. pp. 573-576.
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abstract = "First-principles calculations of three Laves phase structures at Al2Ca and Al2Mg compositions predict the existence of Al2(Mg,Ca) Laves phase. To validate this prediction, a diffusion couple between Mg-30 wt.{\%}Ca alloy and pure Al was assembled and heat-treated at 688 K for 2 weeks. From the cross section of the diffusion couple, backscatter electron microscopy coupled with electron probe microanalysis indicated the existence of Al2(Mg,Ca). Two Laves phases, i.e. C36-Al2(Mg,Ca) and C14-Al2(Mg,Ca), were identified by indexing the electron backscatter diffraction pattern with predicted lattice parameters by first-principles calculations and by diffraction analysis using transmission electron microscopy independently.",
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Al2(Mg,Ca) phases in Mg-Al-Ca ternary system : First-principles prediction and experimental identification. / Zhong, Yu; Liu, Jing; Witt, Ron A.; Sohn, Yong ho; Liu, Zi Kui.

In: Scripta Materialia, Vol. 55, No. 6, 01.09.2006, p. 573-576.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Al2(Mg,Ca) phases in Mg-Al-Ca ternary system

T2 - First-principles prediction and experimental identification

AU - Zhong, Yu

AU - Liu, Jing

AU - Witt, Ron A.

AU - Sohn, Yong ho

AU - Liu, Zi Kui

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AB - First-principles calculations of three Laves phase structures at Al2Ca and Al2Mg compositions predict the existence of Al2(Mg,Ca) Laves phase. To validate this prediction, a diffusion couple between Mg-30 wt.%Ca alloy and pure Al was assembled and heat-treated at 688 K for 2 weeks. From the cross section of the diffusion couple, backscatter electron microscopy coupled with electron probe microanalysis indicated the existence of Al2(Mg,Ca). Two Laves phases, i.e. C36-Al2(Mg,Ca) and C14-Al2(Mg,Ca), were identified by indexing the electron backscatter diffraction pattern with predicted lattice parameters by first-principles calculations and by diffraction analysis using transmission electron microscopy independently.

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