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<p>This study investigates the influence of crystal orientation on the nanocutting behavior of nickel–titanium (NiTi) shape memory alloys using molecular dynamics simulations. Key parameters, such as cutting force, temperature, subsurface morphology, stress distribution, atomic structure evolution, and phase transformation mechanisms, are analyzed across three crystallographic orientations: (100), (110), and (011). The results reveal that crystal orientation significantly affects cutting performance. The (110) orientation exhibits the lowest cutting force and temperature, indicating the most favorable machining characteristics, while the (011) orientation shows the highest cutting resistance. Phase transformation analysis indicates that stress-induced transitions from the B2 phase to the B19′ phase occur in high-stress regions, enhancing self-healing capabilities. These findings highlight the critical role of crystallographic orientation in optimizing cutting efficiency and surface integrity. The (110) orientation is identified as the optimal configuration for achieving enhanced performance in precision machining of NiTi alloys.</p>

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Molecular dynamics simulation of nanocutting mechanisms in NiTi shape memory alloys: influence of crystal orientation on machining behavior

  • 期刊论文

  • 发表日期：

    2025年11月25日

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  • Ping Zhang,
  • Guohong Li,
  • Xiaomin Jiang,
  • Yan Yu

摘要

This study investigates the influence of crystal orientation on the nanocutting behavior of nickel–titanium (NiTi) shape memory alloys using molecular dynamics simulations. Key parameters, such as cutting force, temperature, subsurface morphology, stress distribution, atomic structure evolution, and phase transformation mechanisms, are analyzed across three crystallographic orientations: (100), (110), and (011). The results reveal that crystal orientation significantly affects cutting performance. The (110) orientation exhibits the lowest cutting force and temperature, indicating the most favorable machining characteristics, while the (011) orientation shows the highest cutting resistance. Phase transformation analysis indicates that stress-induced transitions from the B2 phase to the B19′ phase occur in high-stress regions, enhancing self-healing capabilities. These findings highlight the critical role of crystallographic orientation in optimizing cutting efficiency and surface integrity. The (110) orientation is identified as the optimal configuration for achieving enhanced performance in precision machining of NiTi alloys.