An atomistic study of plastic deformation of SmCo5 by amorphous shear bands

Recently, SmCo5 was found to be capable of forming amorphous shear bands to induce dislocation-free plastic deformation at large strains. The formation of shear band is energetically more favorable compared to cracking and the small density variation in shear bands is not likely to induce high local stress that assists crack opening. However, the related mechanism of crystalline-to-amorphous transition during shear-band formation at the atomic level remains unclear. In this paper, the shear deformation of SmCo5 is investigated by molecular dy-namics simulations and we discuss the behavior of shear-band formation by exploring the atomic packing in the interfacial zone between crystal matrix and shear band. The stress-strain curves of SmCo5 show anisotropy with respect to formation of amorphous shear band. The analysis of atomic packing indicates that the behavior of Sm is critical to the atomistic amorphization path and thus accounts for the mechanical anisotropy of the material. Temperature calculations show that the material is not subject to shear melting during deformation that would otherwise lead to embrittlement.

Automated summary

Recently, it has been discovered that SmCo5 can form amorphous shear bands, leading to dislocation-free plastic deformation at large strains. The formation of shear bands is energetically favorable and does not induce high local stress compared to cracking. However, the atomic-level mechanism of the crystalline-to-amorphous transition during shear-band formation remains unclear. This paper investigates the shear deformation of SmCo5 through molecular dynamics simulations and explores the atomic packing in the interfacial zone between the crystal matrix and shear band to understand the behavior of shear-band formation.