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

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The effects of Ta on the ideal strength, elastic properties and electronic structure of γ′-Co 3 (Al, W) were investigated using first-principles methods. The results indicate that the mechanical strength of Co 3 (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 Ta5 d electrons participating in the ring-like bonding between Co3 d and W5 d . These results provide a new insight into the understanding of alloying effects on Co-base superalloys.