Modulating superdislocation cores and planar faults of Ni3Al through applied stresses AITranslate

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DOI：https://doi.org/10.1016/j.commatsci.2024.112865

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By employing atomic material properties (i.e., elastic moduli and general stacking fault energy (GSFE)) of Ni3Al with L12 structure, we predict a series of core configurations of dislocations with edge and screw characters associated with slip systems of ( 1 1 1 ) 0 1 1 ¯ and ( 0 0 1 ) 1 1 0 under various external applied stresses. For the slip system of ( 1 1 1 ) 0 1 1 ¯ , the dislocation cores are found to consist of one APB and two CSF faults, with a larger core for the edge dislocation than for the screw. Such multi faults core configuration is missing for the ( 0 0 1 ) 1 1 0 slip system, where only a larger APB fault is present due to a lower APB energy on ( 0 0 1 ) as compared with that on ( 1 1 1 ) . The dissociation mechanism for full dislocations into super partials and possible faults under different applied shear stresses are carefully investigated. It is found that the core structures (including APB, CSF and SISF faults) exhibit different degrees of dependence on the direction and magnitude of the applied stresses. The evolution of local displacements exhibits a specific sequence of “full dislocation → SISF → APB”, which can be modulated by the variation of stresses. Graphical abstract Download : Download high-res image (163KB) Download : Download full-size image