Effects of Alloying Elements on Stacking Fault Energies and Electronic Structures of Binary Mg Alloys: A First-Principles Study

William Yi Wang; Shun Li Shang; Yi Wang; Zhi-Gang Mei; Kristopher A. Darling; Laszlo J. Kecskes; Suveen N. Mathaudhu; Xi Dong Hui; Zi-Kui Liu

doi:10.1080/21663831.2013.858085

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Effects of Alloying Elements on Stacking Fault Energies and Electronic Structures of Binary Mg Alloys: A First-Principles Study

Original Reports | 更新时间：2026-08-19

- Effects of Alloying Elements on Stacking Fault Energies and Electronic Structures of Binary Mg Alloys: A First-Principles Study
- Effects of Alloying Elements on Stacking Fault Energies and Electronic Structures of Binary Mg Alloys: A First-Principles Study
- 材料研究快报（英文） 2014年2卷第1期页码：29-36
- 作者机构：
  
  1. Department of Materials Science and Engineering The Pennsylvania State University University Park PA USA,16802
  2. Department of Materials Science and Engineering The Pennsylvania State University University Park
  3. .S. Army Research Laboratory Weapons and Materials Research Directorate RDRL-WMM-B Aberdeen Proving Ground,U
  4. Materials Science Division U.S. Army Research Office Research Triangle Park
  5. State Key Laboratory for Advanced Metals and Materials University of Science and Technology Beijing
- 作者简介：
- 基金信息：
- DOI：10.1080/21663831.2013.858085
  中图分类号：
- 网络首发：2013-11-04，
  
  纸质出版：2014
- 稿件说明：
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William Yi Wang, Shun Li Shang, Yi Wang, 等. Effects of Alloying Elements on Stacking Fault Energies and Electronic Structures of Binary Mg Alloys: A First-Principles Study[J]. 材料研究快报（英文）, 2014,2(1):29-36.

William Yi Wang, Shun Li Shang, Yi Wang, et al. Effects of Alloying Elements on Stacking Fault Energies and Electronic Structures of Binary Mg Alloys: A First-Principles Study[J]. Materials Research Letters, 2014, 2(1): 29-36.
William Yi Wang, Shun Li Shang, Yi Wang, 等. Effects of Alloying Elements on Stacking Fault Energies and Electronic Structures of Binary Mg Alloys: A First-Principles Study[J]. 材料研究快报（英文）, 2014,2(1):29-36. DOI： 10.1080/21663831.2013.858085.

William Yi Wang, Shun Li Shang, Yi Wang, et al. Effects of Alloying Elements on Stacking Fault Energies and Electronic Structures of Binary Mg Alloys: A First-Principles Study[J]. Materials Research Letters, 2014, 2(1): 29-36. DOI： 10.1080/21663831.2013.858085.

摘要

Abstract

The growth

deformation

and extrinsic faults in binary Mg–X alloys are investigated via first-principles calculations. Here

the alloying elements X include Al

and Zr. In addition to stacking fault energies

the effect of the elements on the bond structure of Mg are studied in term of electron localization morphology. It is observed that rod-like directional bonds in non-fault planes transform into tetrahedral morphologies in fault planes and are strengthened by addition of Zn and Al

but weakened by Na.

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