LAUSR

Abstract The plastic deformation of FeCuNi ternary alloys of BCC nanocrystalline subjected to compressive or tensile loading is considered via molecular dynamics (MD) simulations at low temperature, to reveal the solid solution effect on BCC metals. Deformation mechanisms at nanoscale have been well revealed for FCC nanocrystalline structure, however, it remains unanswered for BCC nanocrystalline structure. The increase of solute concentration promotes the nucleation of partial dislocation due to the reduction of stacking fault energy, and suppresses the motion of dislocation owning to the severe lattice distortion, which is beneficial to improving the strength and ductility of FeCuNi alloys. There is a critical solute concentration to determine the strengthening or the softening of FeCuNi alloys. Interestingly, the deformation twinning mechanism, instead of traditional dislocation mechanism, dominates the plastic deformation of BCC ternary alloys. In addition, it is clear to observe the phase transformation from BCC to HCP, full dislocation slipping, cross-slip, grain growth, and grain boundary (GB)/twinning boundary (TB) motion. Fracture behaviors of FeCuNi alloys reveal that the addition of Cu and Ni elements results in the larger fracture toughness.