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...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Publishing Group
2021-04-01
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| Series: | npj Materials Degradation |
| Online Access: | https://doi.org/10.1038/s41529-021-00161-w |