High-temperature corrosion mechanism of YSZ coatings subject to calcium–magnesium–aluminosilicate (CMAS) deposits: First-principles calculations

• Published in: Corrosion science Vol. 126; pp. 286 - 294
• Main Authors: Zheng, Haizhong, Chen, Zheng, Li, Guifa, Shu, Xiaoyong, Peng, Ping
• Format: Journal Article
• Language: English
• Published: Amsterdam Elsevier Ltd 01.09.2017; Elsevier BV
• Subjects: Aluminum silicates; Calcium; Calcium aluminate; CMAS; Coatings; Corrosion; Corrosion mechanisms; Delamination mechanism; Diffusion; First-principle calculation; High temperature; Magnesium; Mathematical analysis; Phase transitions; YSZ thermal barrier coatings; Yttria-stabilized zirconia; Yttrium oxide; Zirconium dioxide; First-principle calculation; YSZ thermal barrier coatings; CMAS; Delamination mechanism

[Display omitted] •High-temperature corrosion process of CMAS/YSZ was investigated by DFT calculations.•CMAS bonded strongly with YSZ when it was in solid glass state, and diffused easily with YSZ when it was in liquid state.•The diffusion of (Ca↔Y) and (Si↔Y) induced YSZ depletion in yttrium, allow...