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Advances in Materials Science and Engineering
Volume 2016, Article ID 7365906, 9 pages
Research Article

Temperature-Dependent Generalized Planar Fault Energy and Twinnability of Mg Microalloyed with Er, Ho, Dy, Tb, and Gd: First-Principles Study

1Department of Physics, Chongqing Three Gorges University, Chongqing 404100, China
2Institute for Structure and Function, Chongqing University, Chongqing 401331, China
3College of Materials Science and Engineering, Chongqing University, Chongqing 400044, China

Received 22 June 2016; Revised 30 September 2016; Accepted 11 October 2016

Academic Editor: Jinghuai Zhang

Copyright © 2016 Lili Liu et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.


The generalized planar fault energies, Rice criterion ductility, and twinnability of pure Mg and Mg-RE (RE = Er, Ho, Dy, Tb, and Gd) alloys at different temperature have been investigated using density functional theory. It is shown that all the fault energies and twinnability in the same materials decrease with increasing temperature. However, the ductility has the opposite change trend. On the other hand, alloying rare earth elements will generally decrease the fault energies and increase the ductility and twinnability of Mg at different temperature. It is interesting to note that alloying larger atomic radius will enhance the ductility of Mg more easily and alloying smaller radius will make twinning tendency of Mg more easily. Finally, the electron structure further reveals the underlying mechanisms for the reduction of fault energies with the addition of rare earth elements.