Atomic diffusion mediated by vacancy defects in pure and transition element (TM)-doped (TMÂ =Â Ti, Y, Zr or Hf) L12 Al3Sc

Article ID	Journal	Published Year	Pages	File Type
7218070	Materials & Design	2016	9 Pages	PDF

Keywords

Projector augmented wave VSC Minimum energy paths MEP PAW VASP GGA DFT Dopant effect Atomic diffusion first principles calculation Density of states Total density of states Generalized gradient approximation DOS val transition metal ASB Activation barrier Density functional theory Vacancy defect

Related Topics

Physical Sciences and Engineering Engineering Engineering (General)

Atomic diffusion mediated by vacancy defects in pure and transition element (TM)-doped (TMÂ =Â Ti, Y, Zr or Hf) L12 Al3Sc

Authors

Tao-Tao Shi, Jia-Ning Wang, Ya-Ping Wang, Hai-Chen Wang, Bi-Yu Tang,