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Mechanical properties of bcc Fe-Cr alloys by first-principles simulations

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Abstract

The effect of chromium content on the fundamental mechanical properties of Fe-Cr alloys has been studied by first-principles calculations. Within a random solid solution model, the lattice constants and the elastic constants of ferromagnetic bcc Fe1−x Cr x (0⩽ · ⩽0.156) alloys were calculated for different compositions. With addition of Cr content, the lattice parameters of Fe-Cr alloys are larger than that of pure Fe solid, and the corresponding Young’s modulus and shear modulus rise nonmonotonically with the increasing Cr content. All alloys (except 9.4 at% Cr) exhibit less ductile behavior compared with pure bcc Fe. For the Fe1−x Cr x (0⩽ · ⩽0.156) alloys, the average magnetic moment per atom decreases linearly with the increasing Cr concentration.

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Authors and Affiliations

  1. Key Laboratory of Materials Modification by Laser, Electron, and Ion Beams, Dalian University of Technology, Ministry of Education, Dalian, 116024, China

    Xiao-qing Li  (李晓庆), Ji-jun Zhao  (赵纪军) & Jing-cheng Xu  (徐京城)

  2. College of Advanced Science and Technology, Dalian University of Technology, Dalian, 116024, China

    Xiao-qing Li  (李晓庆), Ji-jun Zhao  (赵纪军) & Jing-cheng Xu  (徐京城)

Authors
  1. Xiao-qing Li  (李晓庆)
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  2. Ji-jun Zhao  (赵纪军)
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  3. Jing-cheng Xu  (徐京城)
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Correspondence to Ji-jun Zhao  (赵纪军).

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Li, Xq., Zhao, Jj. & Xu, Jc. Mechanical properties of bcc Fe-Cr alloys by first-principles simulations. Front. Phys. 7, 360–365 (2012). https://doi.org/10.1007/s11467-011-0193-0

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