摘要
The fracture characteristics of Zr alloys significantly impact the performance of fuel cladding tubes in pressurized water reactors of nuclear power plants.In this study,molecular dynamics(MD)simulations were performed to investigate the{0001}(1210)crack propagation inα-Zr.The influence of temperature and Nb precipitates on the crack propagation was investigated.A total of 469tensile simulations were conducted.An innovative approach to study the interaction between crack propagation and second-phase particles in the crystals was adopted,which could effectively capture the interaction of secondphase particles with dislocations and twins generated during crack propagation.In the simulation,{1126}<1121>and{1012}<1011>twins were observed during crack propagation with Nb precipitates in the matrix.The simulation results revealed that the Nb precipitates further resisted crack propagation,especially those with a radius of approximately 2 nm.In addition,the Nb precipitates in the extension direction of the{1026}<1121>twin exhibited higher resistance to crack propagation than those at other locations.
出处
《Rare Metals》
SCIE
EI
CAS
CSCD
2023年第5期1663-1669,共7页
稀有金属（英文版）
基金
financially supported by the National Natural Science Foundation of China(No.51631005)
the Ministry of Science and Technology of China(Nos.2021YFB3703200,2022YFB3606701)。
