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Meeting

2026 TMS Annual Meeting & Exhibition

Symposium

Computational Thermodynamics and Kinetics

Presentation Title

Diffusion in the TiN and Ti₂N Systems: The Case of N, Ti and O

Author(s)

Kevin Gautier, Nina Puydoyeux, Enrica Epifano, Thomas Gheno, Daniel Monceau, Damien Connétable

On-Site Speaker (Planned)

Kevin Gautier

Abstract Scope

Titanium alloys, known for their high specific strength, are attractive alternatives to steel and nickel-based superalloys in aircraft engines. However, their use is limited below 600 °C due to insufficient creep resistance and oxygen embrittlement. We previously showed that tungsten addition promotes the formation of a continuous Ti₂N layer beneath the oxide scale, reducing oxygen ingress into the alloy. A first-principles study on defects and diffusion was conducted to assess whether TiN and Ti₂N can act as oxygen diffusion barriers and to determine their growth mechanisms. Interstitial and vacancies were identified as dominant defects. Atomic-scale analysis reveals that nitrogen and titanium diffusion mechanisms are decoupled in both compounds. This study also highlights parallels between oxygen and nitrogen diffusion. In Ti₂N, the tetragonal structure provides fast diffusion channels along the c-axis. Oxygen diffusion is 1-3 orders of magnitude slower in TiN and Ti₂N than in α-Ti.

Proceedings Inclusion?

Planned:

Keywords

Titanium, High-Temperature Materials, Other

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