Effect of Y and Zn Substitution on Tensile Properties of 6H-Type LPSO Phase in Mg₉₇Zn₁Y₂ Alloy

Abstract:

The effect of Y and Zn substitution on tensile properties of 6H-type ABCBCB LPSO phase in Mg₉₇Zn₁Y₂ alloy has been studied from first principles calculations. From obtained tensile stress-strain relations, at small strains anisotropy of Young’s modulus for Mg₉₅Zn is larger than that for Mg₉₅Y, whereas at lager strains anisotropy of peak tensile stress for Mg₉₅Zn is smaller than that for Mg₉₅Y. The ideal tensile strengths for both Mg₉₅Y and Mg₉₅Zn phases occur in direction, and the ideal tensile strength is increased with single Zn atom substitution. The detailed electronic structure investigations show that the hybridization between Mg and Y (or Zn) atoms is obvious, and the directional bonding between Mg and Y (or Zn) atoms would lead to large anisotropy of tensile stress-strain relations. As the strain increase, the directional bonding between Mg and Y (or Zn) atoms is weakened, the stability would be lowered, and the phases are finally fractured.

• Periodical: Advanced Materials Research (Volumes 476-478)
• Pages: 2469-2475
• DOI: https://doi.org/10.4028/www.scientific.net/AMR.476-478.2469
• Online since: February 2012
• Authors: Ping Ying Tang, Bi Yu Tang, Li Ming Peng, Wen Jiang Ding
• Keywords: Electronic Structure, First-Principle Calculations, Ideal Tensile Strength, LPSO Phase, Stress-Strain Relation

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