Alloying effects of Ta on the mechanical properties of gamma ' Co-3(Al, W): A first-principles study

作者：Xu Weiwei; Wang Yi; Wang Cuiping; Liu Xingjun^*; Liu Zi Kui

来源：Scripta Materialia, 2015, 100: 5-8.

DOI：10.1016/j.scriptamat.2014.11.029

• Co-base superalloy
• Mechanical properties
• Electronic structure
• First-principle calculation

The effects of Ta on the ideal strength, elastic properties and electronic structure of gamma'-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 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.

• 出版日期2015-4-15
• 单位厦门大学