单晶γ-TiAl合金纳米压痕边缘效应仿真研究

Investigation of edge effect in nanoindentation of single-crystal γ-TiAl alloys

  • 摘要: 纳米级超精密机床是航空航天制造难加工材料的核心装备,然而单晶 γ-TiAl 合金在超精密加工过程中,受其室温脆性高、硬度大的特点制约,易产生边缘损伤与亚表面缺陷,不仅对超精密机床切削动力学产生非线性影响,更限制了其在高精度部件中的应用。采用分子动力学(molecular dynamics, MD)模拟方法,系统探讨了单晶γ-TiAl合金在不同压痕位置和深度下的纳米压痕边缘效应。结果表明,压痕位置是影响表面形貌、力学响应和亚表面缺陷演化的关键因素。当压痕位置靠近边缘时,表面塌陷深度增加但范围减小,原子堆积范围显著增大,同时压痕力和硬度值同时显著降低,亚表面缺陷分析揭示了位错向边缘区域集中、Shockley位错长度在近边缘处缩短,且应力与剪切应变分布趋于边缘局部化的现象。研究阐明了边缘效应对单晶γ-TiAl合金微观变形行为的影响机制,为航空航天领域高性能构件的低损伤纳米加工提供了重要的理论指导。

     

    Abstract: Nanoscale ultra-precision machine tools are employed as core equipment for machining difficult-to-process materials in aerospace manufacturing. However, edge chipping and subsurface defects tend to be generated in single-crystal γ-TiAl alloys during ultra-precision machining due to high brittleness and hardness at room temperature. Nonlinear effects on the cutting dynamics of ultra-precision machine tools are introduced and the application of these alloys in high-precision components is limited. Molecular dynamics (MD) simulations were employed to systematically investigate the nanoindentation edge effect in single-crystal γ-TiAl alloys under varying indentation positions and depths. The indentation position is identified as a critical factor governing surface morphology, mechanical response, and subsurface defect evolution. When indentations are performed near the edge, the surface collapse depth increases while the affected area decreases, accompanied by significant expansion of atomic pile-up range. Concurrently, both indentation force and hardness are decreased markedly. Dislocation concentration toward the edge region, shortened Shockley partial dislocations near the edge, and localization of stress and shear strain distributions along the edge are revealed by subsurface defect analysis. The influence mechanism of edge effect on the microscopic deformation behavior of single-crystal γ-TiAl alloys is elucidated, which provides important theoretical guidance for low-damage nanoscale machining of high-performance aerospace components.

     

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