Phase boundary effects on the mechanical deformation of core/shell Cu/Ag nanoparticles

摘要

The uniaxial compressive deformation of core/shell-type Cu/Ag nanoparticles and naked Cu nanoparticles were simulated by molecular dynamics, revealing the role of nanophase boundaries in the mechanical deformation. The simulations show that single type of partial dislocations glide across the entire slip planes of the Cu cores, resulting in elongated Cu cores compared with circular Cu cores of naked Cu nanoparticles. The phase boundary is the nucleation source of dislocations, and the ultrahigh atomic level stress of part atoms in the phase boundary can ensure the movement of the single type of dislocations under compressed.