| Abstract Scope |
Steel, an iron carbon alloy, is widely used due to its strength, ductility, and low cost. However, in corrosive environments, crack growth can reduce structural integrity, increase maintenance, and shorten service life. This study investigates the effect of corrosion on the fracture toughness of steel at the nanoscale using molecular dynamics simulations. Atomic models of bcc iron with 0.4 percent carbon are developed using ReaxFF. Center and edge cracks are introduced, and the systems are immersed in 0.6 M NaCl solution to capture corrosion effects. Fracture toughness is estimated using Crack Tip Opening Displacement and Irwin methods, with values ranging from 1.0 to 1.4 MPa m1/2, consistent with reported nanoscale data. The results show that diffusion of hydrogen, oxygen, and chlorine significantly influences crack growth, while strain rate and temperature also play important roles. This work highlights the governing mechanisms of corrosion assisted fracture in steel at nanoscale. |