Alloying effects of Ta on the mechanical properties of γ' Co3(Al, W): A first-principles study

Weiwei Xu, Yi Wang, Cuiping Wang, Xingjun Liu, Zi Kui Liu

Research output: Contribution to journalArticle

9 Citations (Scopus)

Abstract

The effects of Ta on the ideal strength, elastic properties and electronic structure of γ′-Co3(Al, W) were investigated using first-principles methods. The results indicate that the mechanical strength of Co3(Al, W) is restricted with the valence charge depletion of Co-Al bonds. The predicted enhancement of mechanical property by Ta additions is attributed to the Ta5d electrons participating in the ring-like bonding between Co3d and W5d. These results provide a new insight into the understanding of alloying effects on Co-base superalloys.

Original languageEnglish (US)
Pages (from-to)5-8
Number of pages4
JournalScripta Materialia
Volume100
DOIs
StatePublished - Apr 15 2015

Fingerprint

Superalloys
Alloying
alloying
Strength of materials
Electronic structure
mechanical properties
Mechanical properties
Electrons
heat resistant alloys
depletion
elastic properties
electronic structure
valence
augmentation
rings
electrons

All Science Journal Classification (ASJC) codes

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

Cite this

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title = "Alloying effects of Ta on the mechanical properties of γ' Co3(Al, W): A first-principles study",
abstract = "The effects of Ta on the ideal strength, elastic properties and electronic structure of γ′-Co3(Al, W) were investigated using first-principles methods. The results indicate that the mechanical strength of Co3(Al, W) is restricted with the valence charge depletion of Co-Al bonds. The predicted enhancement of mechanical property by Ta additions is attributed to the Ta5d electrons participating in the ring-like bonding between Co3d and W5d. These results provide a new insight into the understanding of alloying effects on Co-base superalloys.",
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Alloying effects of Ta on the mechanical properties of γ' Co3(Al, W) : A first-principles study. / Xu, Weiwei; Wang, Yi; Wang, Cuiping; Liu, Xingjun; Liu, Zi Kui.

In: Scripta Materialia, Vol. 100, 15.04.2015, p. 5-8.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Alloying effects of Ta on the mechanical properties of γ' Co3(Al, W)

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AU - Xu, Weiwei

AU - Wang, Yi

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AU - Liu, Xingjun

AU - Liu, Zi Kui

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AB - The effects of Ta on the ideal strength, elastic properties and electronic structure of γ′-Co3(Al, W) were investigated using first-principles methods. The results indicate that the mechanical strength of Co3(Al, W) is restricted with the valence charge depletion of Co-Al bonds. The predicted enhancement of mechanical property by Ta additions is attributed to the Ta5d electrons participating in the ring-like bonding between Co3d and W5d. These results provide a new insight into the understanding of alloying effects on Co-base superalloys.

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