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Atomic simulation of effects of Ʃ5 grain boundary on mechanical properties of Ni3Al

Author

Listed:
  • Lei Ma

    (Hunan University of Arts and Science)

  • Shimin Peng

    (Hunan University of Arts and Science)

  • Changsheng Li

    (Hunan University of Arts and Science)

  • Wangyu Hu

    (Hunan University)

Abstract

The influence of Ʃ5 grain boundary on mechanical properties of Ni3Al alloy is investigated under uniaxial loading by molecular dynamics simulation. The results are that when Ʃ5 grain boundary is added to Ni3Al alloy at 300 K, the mechanical properties have changed from the stress strain curves, Ʃ5 grain boundary causes the yield platform generation, and leads to reduction of yield stress and yield strain. In addition, the symmetrical slip bands are the main deformation mechanism for Ni3Al-Ʃ5 alloy, which shows that Ʃ5 grain boundary can reinforce the plasticity of Ni3Al alloy and reduce the structure damage. As the temperature rises, the yield stress and yield strain increase at 700 K and 900 K, and the Ni3Al-Ʃ5 alloy has better mechanical properties at 700 K than other temperature and presents excellent mechanical properties. It also finds that decreasing Ʃ5 grain boundary size can also enhance the mechanical properties of Ni3Al alloy. Graphical abstract

Suggested Citation

  • Lei Ma & Shimin Peng & Changsheng Li & Wangyu Hu, 2022. "Atomic simulation of effects of Ʃ5 grain boundary on mechanical properties of Ni3Al," The European Physical Journal B: Condensed Matter and Complex Systems, Springer;EDP Sciences, vol. 95(11), pages 1-6, November.
    • Handle: RePEc:spr:eurphb:v:95:y:2022:i:11:d:10.1140_epjb_s10051-022-00444-4
    DOI: 10.1140/epjb/s10051-022-00444-4
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