Chapter 5: Computational Approaches Check Access
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Published:30 Jun 2025
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Special Collection: 2025 eBook Collection
H. Lgaz, R. J. Adnin, R. Salghi, and H. Lee, in Architectural Corrosion and Critical Infrastructure, ed. R. Aslam, Z. Yan, Q. Wang, and J. Aslam, Royal Society of Chemistry, 2025, ch. 5, pp. 140-162.
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This chapter explores the field of computational approaches in corrosion assessment and inspection in detail. It begins with a comprehensive overview of corrosion processes, emphasizing the necessity for advanced predictive methodologies to improve corrosion management. The core of the chapter is dedicated to an in-depth examination of various computational models and simulations. Among these, density functional theory (DFT) and molecular dynamics (MD) simulations are highlighted for their critical roles in understanding and predicting corrosion behavior across a range of materials and environmental conditions. Furthermore, the chapter delves into the integration of machine learning techniques in corrosion systems. It discusses how these emerging technologies enhance the predictive accuracy and efficiency of corrosion assessments. Through detailed analysis, the chapter demonstrates the synergistic benefits of combining traditional computational methods with machine learning algorithms. To provide a practical perspective, the chapter presents several case studies. These examples illustrate the real-world applications of computational tools in industrial settings, showcasing their effectiveness in solving complex corrosion-related challenges. Finally, the chapter concludes with a forward-looking discussion on the future directions and potential advancements in computational approaches within corrosion science. The chapter concludes with a discussion on the future directions and perspectives of computational approaches in corrosion science.