Abstract
This work investigates the dynamic response of a monocrystalline nickel-titanium (NiTi) alloy at the atomic scale. The results deduced from non-equilibrium molecular dynamics modeling demonstrate that no shear deformation band (SDB) appears in the sample at an impact velocity of less than 0.75 km/s. As this velocity increases, shear deformations become pronouncedly localized, and the average spacing between SDBs decreases until it stabilizes. Combining shear stress and particle velocity profiles, the survival of SDBs is found to be closely associated with plastic deformation. The dislocations clustering around SDBs predominantly exhibit 〈100〉 partial dislocations, whereas 1/2〈111〉 full dislocations are dominant in those regions without SDBs. Void nucleation always occurs on SDBs. Subsequently, void growth promotes a change in the SDB distribution characteristic. For the case without SDB, voids are randomly nucleated, and the void growth exhibits a non-uniform manner. Thus, there is an interaction between shear localization and void evolution in the NiTi alloy subjected to intensive loading. This study is expected to provide in-depth insights into the microscopic mechanism of NiTi dynamic damage.
摘要
本研究利用非平衡分子动力学模拟方法, 从原子尺度探讨了单晶镍钛合金的动态响应. 结果表明: 当冲击速度小于0.75 km/s时, 材料内部没有出现剪切变形带. 随着速度增加, 剪切变形局域化现象愈发显著, 并且这种变形带的平均间距逐渐减小直至没有明显变 化. 结合剪切应力及粒子速度分布曲线, 可以认为剪切变形带的存在与塑性变形紧密相关. 此外, 团簇在剪切变形带周围的位错以 100 部分位错为主: 在没有剪切变形带的区域, 1/2 111 全位错占主导地位. 孔洞形核主要发生在剪切变形带上, 随后, 孔洞长大促 进了剪切变形带分布特征变化. 对于没有剪切变形带的情况, 孔洞随机形核, 此时孔洞增长呈现出不均匀方式. 因此, 强动载荷下镍钛 合金的损伤过程伴随着剪切局域化和孔洞的演化及其相互作用. 本工作有助于深入揭示镍钛合金动态损伤的微观机理.
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Acknowledgements
This work was supported by the National Natural Science Foundation of China (Grant No. 12372367), and the Special Foundation of the Institute of Fluid Physics of China Academy of Engineering Physics (Grant No. 2022-YCHT-0641). The authors would like to express their gratitude to Professor Ting Zhu, Georgia Institute of Technology, USA, for their helpful discussions.
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Author contributions Yuchen Zhang: Conceptualization, Methodology, Software, Visualization, Writing – original draft. Weilong Yang: Visualization, Software. Xin Yang: Data curation. Jin Wang: Visualization. Chao Lv: Supervision. Hao Zhang: Validation. Xiaoyang Pei: Supervision. Fang Wang: Supervision, Preparation, Writing – review & editing.
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Zhang, Y., Yang, W., Yang, X. et al. Dynamic damage response of sing-crystal NiTi alloys induced by shear localization. Acta Mech. Sin. 41, 124177 (2025). https://doi.org/10.1007/s10409-024-24177-x
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DOI: https://doi.org/10.1007/s10409-024-24177-x