Atomistic Modeling of Corrosion Events at the Interface between a Metal and Its Environment
- Materials Technology - Metallurgy (MST-6), Materials Science and Technology, Los Alamos National Laboratory, Los Alamos, NM 87545, USA
Atomistic simulation is a powerful tool for probing the structure and properties of materials and the nature of chemical reactions. Corrosion is a complex process that involves chemical reactions occurring at the interface between a material and its environment and is, therefore, highly suited to study by atomistic modeling techniques. In this paper, the complex nature of corrosion processes and mechanisms is briefly reviewed. Various atomistic methods for exploring corrosion mechanisms are then described, and recent applications in the literature surveyed. Several instances of the application of atomistic modeling to corrosion science are then reviewed in detail, including studies of the metal-water interface, the reaction of water on electrified metallic interfaces, the dissolution of metal atoms from metallic surfaces, and the role of competitive adsorption in controlling the chemical nature and structure of a metallic surface. Some perspectives are then given concerning the future of atomistic modeling in the field of corrosion science.
- Sponsoring Organization:
- USDOE National Nuclear Security Administration (NNSA)
- Grant/Contract Number:
- AC52[28]-06NA2539
- OSTI ID:
- 1198179
- Journal Information:
- International Journal of Corrosion, Journal Name: International Journal of Corrosion Vol. 2012; ISSN 1687-9325
- Publisher:
- Hindawi Publishing CorporationCopyright Statement
- Country of Publication:
- Country unknown/Code not available
- Language:
- English
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