中国物理B ›› 2014, Vol. 23 ›› Issue (6): 66104-066104.doi: 10.1088/1674-1056/23/6/066104

• CONDENSED MATTER: STRUCTURAL, MECHANICAL, AND THERMAL PROPERTIES • 上一篇    下一篇

The generalized planar fault energy, ductility, and twinnability of Al and Al-RE (RE=Sc, Y, Dy, Tb, Nd) at different temperatures：A first-principles study

吴小志a b c, 刘利利c, 王锐c, 刘庆a b   

  1. a College of Materials Science and Engineering, Chongqing University, Chongqing 400044, China;
    b National Engineering Research Center for Magnesium Alloys, Chongqing University, Chongqing 400044, China;
    c College of Physics and Institute for Structure and Function, Chongqing University, Chongqing 401331, China
  • 收稿日期:2013-07-22 修回日期:2013-12-04 出版日期:2014-06-15 发布日期:2014-06-15
  • 基金资助:
    Project supported by the National Natural Science Foundation of China (Grant Nos. 11104361 and 11304403) and the Fundamental Research Funds for the Central Universities, China (Grant No. CQDXWL2012015).

The generalized planar fault energy, ductility, and twinnability of Al and Al-RE (RE=Sc, Y, Dy, Tb, Nd) at different temperatures：A first-principles study

Wu Xiao-Zhi (吴小志)a b c, Liu Li-Li (刘利利)c, Wang Rui (王锐)c, Liu Qing (刘庆)a b   

  1. a College of Materials Science and Engineering, Chongqing University, Chongqing 400044, China;
    b National Engineering Research Center for Magnesium Alloys, Chongqing University, Chongqing 400044, China;
    c College of Physics and Institute for Structure and Function, Chongqing University, Chongqing 401331, China
  • Received:2013-07-22 Revised:2013-12-04 Online:2014-06-15 Published:2014-06-15
  • Contact: Wu Xiao-Zhi, Liu Qing E-mail:xiaozhiwu@cqu.edu.cn;qingliu@cqu.edu.cn
  • Supported by:
    Project supported by the National Natural Science Foundation of China (Grant Nos. 11104361 and 11304403) and the Fundamental Research Funds for the Central Universities, China (Grant No. CQDXWL2012015).

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摘要： The genearlized planar fault energies of Al and Al-RE (RE = Sc, Y, Dy, Tb, Nd) alloys have been investigated using first-principles methods combined with a quasiharmonic approach. The stacking fault energies, unstable stacking fault energies, and unstable twinning energies decrease slightly with increasing temperature. The ductility parameter D, the relative barrier difference δusut, and the twinnability τa of Al and Al-RE alloys at different temperatures have been determined. It is found that the ductilities of Al and Al alloys are nearly the same and the ductilities increase slightly with increasing temperature. The RE alloying elements make twinning more likely and the twinnabilities of Al and Al alloys decrease with increasing temperature.

关键词: twinnability, temperature, generalized planar fault energy

Abstract: The genearlized planar fault energies of Al and Al-RE (RE = Sc, Y, Dy, Tb, Nd) alloys have been investigated using first-principles methods combined with a quasiharmonic approach. The stacking fault energies, unstable stacking fault energies, and unstable twinning energies decrease slightly with increasing temperature. The ductility parameter D, the relative barrier difference δusut, and the twinnability τa of Al and Al-RE alloys at different temperatures have been determined. It is found that the ductilities of Al and Al alloys are nearly the same and the ductilities increase slightly with increasing temperature. The RE alloying elements make twinning more likely and the twinnabilities of Al and Al alloys decrease with increasing temperature.

Key words: twinnability, temperature, generalized planar fault energy

中图分类号:  (Point defects and defect clusters)

  • 61.72.J-
61.72.Mm (Grain and twin boundaries) 61.72.Nn (Stacking faults and other planar or extended defects)