Magnetism-driven dislocation dissociation, cross slip, and mobility in NiAl

Article

关键词: AL ALLOYS;    TRANSITION;    FIELD;    DEFORMATION;    CRYSTALS;    METALS;   

DOI  :  10.1103/PhysRevB.82.060404

来源: SCIE

【 摘 要 】

We have examined the interplay between magnetism and dislocation core properties in NiAl alloys using quantum mechanics/molecular mechanics simulations. We observe the magnetism-driven site preference of Fe and Co impurities at the dislocation core. When occupying the Ni sublattice, Fe and Co impurities are found to induce spontaneous dislocation cross slip. When occupying the Al sublattice, the impurities render the originally undissociated dislocation to split into two partials. Finally we observe the magnetism-driven dislocation mobility when Fe impurity occupies the Al sublattice, which has also been discovered experimentally. The magnetic interaction between the impurities and the host atoms is responsible for the significant changes in the dislocation core structure and mobility.

【 授权许可】

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