Transactions of Materials and Heat Treatment

Title：Molecular dynamics simulation on crack propagation behavior for single crystal Ni3Al

Authors： Du Chunzhi1 Pang Shuai2 Wu Wenping3 Liu Bingfei4

Unit： 1.School of Transportation Science and Engineering Civil Aviation University of China 2.School of Aeronautical Engineering Civil Aviation University of China 3.School of Civil Engineering Wuhan University 4.Institute of Science and Technology Innovation Civil Aviation University of China

KeyWords： molecular dynamics crack propagation microscopic mechanism single crystal Ni3Al dislocation stress concentration

ClassificationCode：V252

year,vol(issue):pagenumber：2023,48(7):255-263

Abstract：

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.

Funds：

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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