Substitutional adsorptions of chloride at grain boundary sites on hydroxylated alumina surfaces initialize localized corrosion

Abstract To understand the chloride (Cl)-induced initiation mechanism of localized corrosion of Aluminum (Al) alloys, we apply density functional theory (DFT) calculations and ab initio molecular dynamics (AIMD) simulations to investigate the interactions between Cl and hydroxylated α–Al2O3 surfaces...

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Autores principales: Aditya Sundar, Ganlin Chen, Liang Qi
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2021
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Acceso en línea:https://doaj.org/article/9706ef9043a64294835ef38f0cc9ce31
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