锻压技术

单晶Ni3Al裂纹扩展行为的分子动力学模拟

英文标题：Molecular dynamics simulation on crack propagation behavior for single crystal Ni3Al

单位：1.中国民航大学交通科学与工程学院 2.中国民航大学航空工程学院 3.武汉大学土木建筑工程学院 4.中国民航大学科技创新研究院

分类号：V252

出版年,卷(期):页码：2023,48(7):255-263

摘要：

基于嵌入原子势的分子动力学模拟分析了单晶Ni3Al的裂纹扩展机理和显微组织演化。首先，通过设置初始裂纹并对拉伸速率恒定时的单晶Ni3Al模型进行单轴拉伸，模拟了裂纹尖端的形状和微观结构的变化，从模拟结果可以观察到在裂纹尖端产生了位错堆积现象，扩展后的裂纹方向与位错线成45°和135°夹角。其次，分别讨论了温度对5×10-11 s时裂纹尖端应力集中现象、屈服点的抗拉强度以及裂纹扩展速率的影响。研究结果表明：当温度从300 K升温至1300 K时，5×10-11 s时裂纹尖端的应力值以线性的形式降低；其屈服点抗拉强度的降低趋势也是线性的，但其应变值增加；高温可有效地减缓裂纹扩展速率。

The crack propagation mechanism and microstructure evolution of single crystal Ni3Al were analyzed by molecular dynamics simulations based on embedded atomic potential. Firstly, by setting up an initial crack and uniaxially stretching the single crystal Ni3Al model at a constant stretching rate, the changes in the shape and microstructure of crack tip were simulated, from the simulation results, it was observed that the dislocation accumulation phenomenon was generated at the crack tip, and the extended crack direction and the dislocation line formed angles of 45° and 135°. Secondly, the influences of temperature on the stress concentration at the crack tip, the tensile strength at the yield point and the crack propagation rate at 5×10-11 s were discussed respectively. The research results show that when the temperature increases from 300 K to 1300 K, the stress value at the crack tip decreases linearly at 5×10-11 s, and the decreasing trend of the tensile strength at the yield point is also linear, but the strain value increases. Thus, high temperature can effectively slow down the crack propagation rate.

基金项目：

中央高校基本科研业务费中国民航大学专项资助项目(3122015C018);2021天津市研究生科研创新项目（2021YJS080）

作者简介：杜春志（1981-），男，博士，副教授 E-mail：czdu@cauc.edu.cn 通信作者：刘兵飞（1985-），男，博士，副教授 E-mail：bingfeiliu2@126.com

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