Ni原子对Fe-Ni合金裂纹止裂性能影响的分子动力学研究

Chao Yang, Gonglin Deng, X. Xing, Qing Han, Haibo Liu
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引用次数: 1

摘要

采用分子动力学模拟方法研究了镍对Fe-Ni合金的改性机理。将单位移加载分别应用于完美单晶模型、带空位的单晶模型和带穿晶裂纹的单晶模型。在多晶模型上施加恒应变载荷,测试Ni对晶间裂纹萌生的影响。结果表明,Ni原子可以同时降低自由表面能和层错能。而Ni原子对层错能的降低作用更为显著。当Ni浓度大于0.03时,穿晶裂纹在载荷作用下不断发出位错,从而延缓了解理裂纹的发生。特别是当Ni浓度大于0.05时,与晶间开裂相比,再结晶过程更有利于释放能量。研究结果表明,低浓度的Ni可能会降低铁镍合金的物理性能。将Ni原子浓度提高到特定的临界值以上,例如0.03或0.05,可以提高断裂韧性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Molecular dynamics study on the effect of Ni atoms on the crack arrest performance of Fe–Ni alloy
Molecular dynamic simulations are applied to test the nickel's modification mechanism of Fe–Ni alloy. Mono displacement loading is applied to a perfect single crystal model, a single crystal model with vacancies, and a model with transgranular crack. Moreover, constant strain load is applied to the polycrystal model to test the Ni effect on intergranular crack initiation. The results elucidate that Ni atoms could decrease the free surface energy and the stacking fault energy simultaneously. However, Ni atoms have a more significant effect on the reduction of stacking fault energy. If the Ni concentration is above 0.03, the transgranular crack constantly emits dislocations under loading, thus, postponing the cleavage cracking. Particularly, as the Ni concentration is above 0.05, the recrystallization process could be a favorable energy‐releasing behavior compared with the intergranular cracking. The findings suggest that a low concentration of Ni might degrade the physical property of Fe–Ni alloy. Increasing the Ni atomic concentration above specific critical values, for example, 0.03 or 0.05, could enhance the fracture toughness.
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