4.8 Article

Generalized stacking fault energy surface mismatch and dislocation transformation

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NPJ COMPUTATIONAL MATERIALS
卷 7, 期 1, 页码 -

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NATURE PORTFOLIO
DOI: 10.1038/s41524-021-00660-z

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  1. NSF DMREF program [DMR-1922239]

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A phenomenon of dislocation transformation controlled by the GSF mismatch between two co-existing phases has been discovered, enriching our fundamental understanding of partial dislocation nucleation and dislocation-precipitate interactions. This offers additional opportunities for tailoring work-hardening and twinning processes in alloys strengthened by low-symmetry precipitate phases.
Even though the fundamental rules governing dislocation activities have been well established in the past century, we report a phenomenon, dislocation transformation, governed by the generalized-stacking-fault energy surface mismatch (GSF mismatch for short) between two co-existing phases. By carrying out ab-initio-informed microscopic phase-field simulations, we demonstrate that the GSF mismatch between a high symmetry matrix phase and a low symmetry precipitate phase can transform an array of identical full dislocations in the matrix into an array of two different types of full dislocations when they shear through the precipitates. The precipitates serve as a passive Shockley partial source, creating new Shockley partial dislocations that are neither the ones from the dissociation of the full dislocation. This phenomenon enriches our fundamental understanding of partial dislocation nucleation and dislocation-precipitate interactions, offering additional opportunities to tailor work-hardening and twinning processes in alloys strengthened by low-symmetry precipitate phases.

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