Multi-scale analysis of corrosion-induced fracture failure mechanisms of high-strength steel wire

Currently, research on the mechanical properties of corroded steel wire is primarily conducted through corrosion testing, with a lack of in-depth theoretical investigations into the underlying mechanisms. Addressing this research gap, this study employs molecular dynamics (MD) and finite element theory to explore the corrosion process, micro- and macro-mechanical properties of corroded steel wire, and the fracture mechanisms after corrosion. The study achieves a coupling of micro- and macro-scale analyses. Firstly, a molecular dynamics model is established based on the chemical composition of high-strength steel wire, and a novel mixed potential function derived from quantum mechanics is employed to analyze the fracture mechanisms of corroded steel wire. Secondly, a simplified model of randomly corroded pits in steel wire is developed using Python in Abaqus, based on experimental measurements. Finally, the macroscopic fracture process and fracture strength of corroded steel wire are analyzed based on the results from molecular dynamics simulations. These results are then compared to experimental data to validate the accuracy of the theoretical analysis.