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Multiscale investigation of oxidation mechanism in AlCrSiN multilayer coatings via experiments and ab initio molecular dynamics

Authors: Ji-yuan LIU; Shu-bing HU; Bo PENG; Jing-jing TIAN; Si-qi ZENG; Hai-xin CHANG; Hong-ya LI; Jin-ke YU; Fei GUO

DOI: 10.1016/S1003-6326(25)66981-0Status: Verified Translated Edition
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Key Findings in This Report

• The AlCrSiN/AlCrN/CrN/Cr multilayer coating achieved a critical load of 87.8 N, indicating excellent adhesion. • Silicon doping induced nanocrystallization and amorphization, increasing hardness to 26 GPa. • A nanoscale Cr-rich (Cr,Al)2O3 layer formed at high temperatures, effectively inhibiting oxygen diffusion. • AIMD simulations revealed that Cr atoms have higher oxygen-capture capability than Al, and Si atoms act as diffusion barriers, enhancing oxidation resistance.