Molecular dynamics study on the mechanical properties of nanocrystalline Ni-W alloys with bimodal structure

Abstract In order to study the effects of coarse grain size and Ni content on mechanical properties, molecular dynamics (MD) simulation nanocrystalline (NC) Ni-W alloys with bimodal structure is carried out. The NC samples are established by embedding into fine matrix. solute atoms in segregated boundary affected zone (GBAZ) through severe plastic deformation (SPD). uniaxial tensile shows that have obvious properties alloys. dislocation activities mechanism discussed detail observing atomic configurations strain evolutions diagrams obtained MD simulation. At same time, phenomenon Hall-Petch relationship inverse also observed research process.