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The mechanical behavior and barocaloric effect of Fe50Ni (at%) shape memory alloy (SMA) during uniaxial compression were studied by molecular dynamic simulation. The results indicated that the Fe50Ni(at%) alloy presented a broad phase transformation strain interval, and the adiabatic temperature change reached 36.85K, which was an order of magnitude improvement compared to the alloys that reported barocaloric refrigeration performance. The analysis of crystal structure evolution demonstrated that the transformation between the FCC and BCC phases played a leading role during the compression process. The present work promotes the development of the Fe-based SMA.

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Study on the Mechanical Behavior and Barocaloric Effect of Fe50Ni (at%) Shape Memory Alloy Based on Molecular Dynamics Simulation

  • 会议论文

  • 发表日期：

    2026年

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  • Xianfa Li,
  • Yabin Yang,
  • Guoqiang Chen,
  • Long Zhou,
  • Yanpeng Wang,
  • Haiyang Li

摘要

The mechanical behavior and barocaloric effect of Fe50Ni (at%) shape memory alloy (SMA) during uniaxial compression were studied by molecular dynamic simulation. The results indicated that the Fe50Ni(at%) alloy presented a broad phase transformation strain interval, and the adiabatic temperature change reached 36.85K, which was an order of magnitude improvement compared to the alloys that reported barocaloric refrigeration performance. The analysis of crystal structure evolution demonstrated that the transformation between the FCC and BCC phases played a leading role during the compression process. The present work promotes the development of the Fe-based SMA.