Computational Materials Science2022,Vol.2028.DOI:10.1016/j.commatsci.2021.111015

Orientation dependence of microstructure deformation mechanism and tensile mechanical properties of Nickel-based single crystal superalloys: A molecular dynamics simulation

Chen, Bin Wu, Wen-Ping Chen, Ming-Xiang
Computational Materials Science2022,Vol.2028.DOI:10.1016/j.commatsci.2021.111015

Orientation dependence of microstructure deformation mechanism and tensile mechanical properties of Nickel-based single crystal superalloys: A molecular dynamics simulation

Chen, Bin 1Wu, Wen-Ping 1Chen, Ming-Xiang1
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作者信息

  • 1. Wuhan Univ
  • 折叠

Abstract

In this paper, molecular dynamics (MD) simulations are performed to investigate the tensile deformation mechanisms and mechanical properties of superalloys with different orientations. The research results show that the superalloys exhibit anisotropy of mechanical properties and are consistent with previous experimental research results. The anisotropy of mechanical properties is related to the differences of stability at the interfacial dislocation network and the 1/6(11 2){1 1 1} slip system startup of superalloys with different orientations. When the yield point is reached, dislocations and stacking faults on both sides of the slip plane will contact each other and merge into a stacking fault band to penetrate into the gamma' precipitates. Meanwhile, the dislocation density and the proportion of face-centered cubic (FCC) structure with different orientation models have a sudden change at the yield point. As the temperature increases, the yield strength and elastic modulus decrease in the (110) and (1 1 1) orientation models, whereas the (100) orientation model has an anomalous yield behavior. This is mainly related to the destruction of dislocation network, the change of deformation mechanism and the thermally activated cross-slip mechanism when the temperature increases.

Key words

Nickel-based single crystal superalloys/Molecular dynamics simulation/Orientation/Dislocation density/Mechanical properties/LOW-CYCLE FATIGUE/TEMPERATURE-DEPENDENCE/CREEP-BEHAVIOR/EVOLUTION/ANISOTROPY/INTERMEDIATE/DISLOCATIONS/STRENGTH/RENE-N4/MISFIT

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出版年

2022
Computational Materials Science

Computational Materials Science

EISCI
ISSN:0927-0256
被引量2
参考文献量54
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