Molecular dynamics simulation of the fatigue properties of polycrystalline nickel-based superalloys at the nanoscale

P Zhang and RR Liu and LL Ning and XJ Yue, JOURNAL OF THE BRAZILIAN SOCIETY OF MECHANICAL SCIENCES AND ENGINEERING, 47, 441 (2025).

DOI: 10.1007/s40430-025-05744-1

This study aims to explore the fatigue properties of polycrystalline nickel-based superalloys at the nanoscale. Molecular dynamics (MD) simulation is used to investigate the effects of strain amplitude on shear strain, dislocation patterns, atomic structure forms, and fatigue performance. The results indicate that under the same load, the accumulation of plastic damage increases with the number of cycles; at the same cycle number, there is a positive correlation between the average plastic damage degree and the strain amplitude. When the load amplitude is below 0.015, the cycle number corresponding to the maximum dislocation density shows a positive correlation with the load amplitude, while for load amplitudes above 0.0175, this relationship becomes negative. Except for a strain load amplitude of 0.015, the trend of hexagonal close-packed (HCP) atoms during the fatigue process is generally consistent, with a sudden increase around 20 cycles at a strain load amplitude of 0.015, approximately 1.8 times higher than that of other strain load amplitudes.

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