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

被引：10

作者：

Dou, Yuchen ^{[1
]}

Luo, Hong ^{[1
]}

Zhang, Jing ^{[2
,3
]}

Tang, Xiaohua ^{[1
]}

机构：

[1] Sichuan Univ Sci & Engn, Coll Mat Sci & Engn, Zigong 643000, Peoples R China

[2] Chongqing Univ, Coll Mat Sci & Engn, Chongqing 400044, Peoples R China

[3] Natl Engn Res Ctr Magnesium Alloys, Chongqing 400044, Peoples R China

来源：

MATERIALS | 2019年 / 12卷 / 09期

基金：

中国国家自然科学基金;

关键词：

magnesium alloys; first-principle calculation; stacking-fault energy; ductility; C PLUS; 1ST-PRINCIPLES; DISLOCATION; DUCTILITY; ENERGETICS; MECHANISM;

D O I：

10.3390/ma12091548

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

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.

引用

页数：7

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Generalized Stacking Fault Energy of {10-11}&lt;11-23&gt; Slip System in Mg-Based Binary Alloys: A First Principles Study

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