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

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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
StatePublished - Apr 15 2015

All Science Journal Classification (ASJC) codes

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


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