Abstract
Generalized stacking fault energies (GSFEs) associated with the basal planes of pure Zn and substitutional Zn47X (X = Li, Mg, Al, Ti, Mn, Fe, Cu or Ag) were investigated by first-principles calculations in combination with climbing-image nudged elastic band (CINEB) methods. The transition elements, including Ti, Mn and Fe, were found to have relatively strong ability to increase the stability of I2 stacking fault by forming strong interatomic bonding with surrounding Zn atoms. To develop biodegradable Zn-based alloys with superior mechanical properties, especially improved creep properties, Ti, Mn or Fe is recommended as a proper alloying element.
Sign-in/Register to access full text options 
Free) 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
