Mechanism-guided high-throughput design of Al-Cr-Ti-Si-N coatings achieving synergistic thermal stability and oxidation resistance

Abstract

Transition metal nitride coatings often face a trade-off between thermal stability and oxidation resistance at high temperatures. Here, we address this challenge using a mechanism-guided high-throughput combinatorial strategy, implemented through multi-target co-deposition, to rapidly probe the Al-Cr-Ti-Si-N compositional space. An optimal composition window was identified (Al 13.3-24.1 at.%, Cr 7.6-14.6 at.%, Ti 10.4-23.9 at.%, Si 1.3-3.2 at.%). Coatings within this window exhibit high hardness (> 32 GPa), maintain a face-centered cubic (fcc) matrix up to 1,000 °C, and form oxide scales thinner than 0.5 μm after oxidation at 1,000 °C. Multi-scale characterization reveals that these outstanding properties originate from nanoscale synergistic mechanisms. Specifically, spinodal decomposition generates Ti-rich and Al/Cr-rich domains. These domains, coupled with dense dislocation networks and pronounced lattice distortion, collectively underpin mechanical robustness and structural stability. The inner SiO₂ and intermediate (Cr,Al)₂O₃ layers act together to block oxygen diffusion and metal ion migration, resulting in exceptional oxidation resistance. High-speed dry cutting tests validate the engineering relevance of these coatings, showing a tool life up to 2.4 times longer than that of commercial AlTiN coatings. This work resolves the stability-oxidation trade-off and establishes a generalizable pathway for the rational design of multicomponent ceramic coatings.

Keywords

High-throughput design / mechanism-guided coating optimization / AlCrTiSiN coating / thermal stability / oxidation resistance

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