Athermal mechanical analysis of Stone-Wales defects in two-dimensional silica

摘要: Abstract In this paper, we investigate the influence of Stone-Wales defects on mechanical behavior two-dimensional silica in absence thermal effects. The application athermal quasistatic deformation method allows us to study deformation-induced non-affine rearrangements material, a strategy that has not yet been applied type material. Applying bond switch moves hexagonal samples followed by energy minimization and volumetric relaxation, various tensile simulations are performed armchair zigzag directions, which induce fracture mode I. with SW clearly show stationary states during process. Thus, prove brittle-to-ductile transition, induced defect. understanding these local contributes explaining yield network glasses.