One Al 6061 with gradient microstructure is prepared by friction stir processing (FSP). Microscopic characterization indicates that the regulation of grain size gradient could be achieved by adjusting the process parameters of FSP. The mechanical property test indicates that one gradient Al 6061 combines an ultimate tensile strength of 266 MPa with a uniform elongation of 27 %, and the other comes 258 MPa with 29 %, which provides an excellent combination of strength and ductility. Moreover, the molecular dynamics (MD) method is employed to reconstruct and simulate the mechanical behavior of the gradient region and the dynamic evolution of the microstructure. When the stacking faults (SFs) with antisymbolic Burgers vector meet and detwinning occurs, grain refinement will induce localized strengthening. When the Shockley partials occur cross-slip, numerous sessile dislocations obstruct the dislocation motion more facilitate strain hardening. Meanwhile, a unique interaction mechanism between shear bands (SBs) and intergranular cracks in Al 6061 is discovered in plastic deformation. The coarse net-like SBs in the small-grain region are highly susceptible to catastrophic fracture of the material, and the large cracks formed within the severely band-like SBs in the large-grain region weaken the strength substantially. However, the formation of sessile dislocations in the gradient region effectively mitigates strain localization and inhibits the nucleation of large cracks. The results interpret the dynamic evolution process of gradient microstructure prepared by FSP and the mechanism of strengthening and toughening and provide process and theoretical references for the research and development of new engineering materials.
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