Generalized Stacking Fault Energy of {10-11}<11-23> Slip System in Mg-Based Binary Alloys: A First Principles Study

Materials

Jing Zhang¹  Yuchen Dou²  Xiaohua Tang²  Hong Luo² 

[1] College of Materials Science and Engineering, Chongqing University, Chongqing 400044, China;College of Materials Science and Engineering, Sichuan University of Science and Engineering, Zigong 643000, China;

关键词: magnesium alloys;    first-principle calculation;    stacking-fault energy;    ductility;   

DOI  :  10.3390/ma12091548

来源: DOAJ

【 摘 要 】

In this work, the generalized stacking fault energies (GSFEs) of {10-11}<11-23> slip system in a wide range of Mg-X (X = Ag, Al, Bi, Ca, Dy, Er, Gd, Ho, Li, Lu, Mn, Nd, Pb, Sc, Sm, Sn, Y, Yb, Zn and Zr) binary alloys has been studied. The doping concentration in the doping plane and the Mg-X system is 12.5 at.% and 1.79 at.%, respectively. Two slip modes (slip mode I and II) were considered. For pure magnesium, these two slip modes are equivalent to each other. However, substituting a solute atom into the magnesium matrix will cause different effects on these two slip modes. Based on the calculated GSFEs, two design maps were constructed to predict solute effects on the behavior of the {10-11}<11-23> dislocations. The design maps suggest that the addition of Ag, Al, Ca, Dy, Er, Gd, Ho, Lu, Nd, Sm, Y, Yb and Zn could facilitate the {10-11}<11-23> dislocations.

【 授权许可】

Unknown