Molecular dynamics simulations of crack size influence on silver nanoplates' mechanical properties

Using molecular dynamics simulations, we investigated the uniaxial tensile properties of silver nanoplates at 300 K, simulating the effects of constant strain rate and various crack sizes on their tensile behavior. The study found that the interaction between shear stress and dislocations is the primary cause of fracture in silver nanoplates, particularly due to shear stress concentration at the crack tips, which directly affects the movement and arrangement of dislocations. Additionally, smaller crack sizes result in lower yield shear stress, indicating that cracks have a relatively minor impact on the overall strength and toughness of the material. As crack length increases, the crack tips become more pronounced, and new dislocation lines form earlier.