The role of non-equilibrium grain boundary in micro-deformation and failure mechanisms of Bicrystal structural tungsten

The molecular dynamics (MD) simulation is performed to obtain the mechanical properties and plastic deformation mechanism of bicrystal structural tungsten (BS W) with equilibrium grain boundaries (EGBs) and non-equilibrium grain boundaries (NEGBs) under tension at different strain rates. The BS W with NEGBs has shown excellent comprehensive mechanical properties, and its yield strength is only about 1.5 Gpa (~10%) lower than that of the BS W...