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Title: Atomistic Modeling of Corrosion Events at the Interface between a Metal and Its Environment

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.
  1. Materials Technology - Metallurgy (MST-6), Materials Science and Technology, Los Alamos National Laboratory, Los Alamos, NM 87545, USA
Publication Date:
Grant/Contract Number:
Published Article
Journal Name:
International Journal of Corrosion
Additional Journal Information:
Journal Volume: 2012; Related Information: CHORUS Timestamp: 2016-08-02 13:17:34; Journal ID: ISSN 1687-9325
Hindawi Publishing Corporation
Sponsoring Org:
USDOE National Nuclear Security Administration (NNSA)
Country of Publication:
Country unknown/Code not available
OSTI Identifier: