Towards multiscale modelling of localised corrosion

AbstractLocalised corrosion is a cause of unanticipated and sometimes catastrophic failures of equipment, transport vessels and infrastructures. Therefore, the development of modern corrosion-resistant materials and inhibitors by design is both technically and economically attractive. In the coming decades, industrial components will be engineered from molecular structures. This prospect provides the designer with a truly enormous range of choices in design, which is a situation that demands predictive tools that can link molecular structures with the final component performance. In particular, the development of alloys and inhibitors can replace the use of toxic compounds in protecting metal surfaces. To execute a tailored design programme, it is necessary to understand how corrosion and the associated processes occur from the molecular level to the component level and how the overall system behaviour emerges because of the inherent links among different scales. Therefore, in the present work, the litera...