Interfacial interactions and free volume in multicomponent titanium-based carbon-nitrides coatings
Ceramics International, cilt.1, sa.1, ss.1-22, 2026 (SCI-Expanded)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 1 Sayı: 1
- Basım Tarihi: 2026
- Doi Numarası: 10.1016/j.ceramint.2026.01.424
- Dergi Adı: Ceramics International
- Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED)
- Sayfa Sayıları: ss.1-22
- Ankara Yıldırım Beyazıt Üniversitesi Adresli: Evet
Özet
In this study, a comprehensive experimental and theoretical investigation was performed on five multicomponent TiXCN-based coatings (X = Si, Nb, Zr, ZrNb, and ZrSi) synthesized by cathodic arc deposition. The defect structure, free-volume characteristics, surface morphology, optical topography, and chemical bonding states of coatings deposited on Ti6Al4V substrates were systematically examined. Positron Annihilation Lifetime Spectroscopy (PALS) revealed distinct positron lifetime components (τ1 ≈ 0.17–0.18 ns and τ2 ≈ 0.63–0.80 ns), indicating variations in intergranular free volume and vacancy-type defect populations depending on elemental composition. Density functional theory (DFT)–based calculations suggest the coexistence of face-centered cubic and trigonal structural configurations within the TiXCN matrix, providing insight into the experimentally observed positron trapping behavior. Raman spectroscopy identified characteristic acoustic and optical phonon modes associated with Ti–C and Ti–N bonding, where systematic peak shifts and bandwidth variations reflect alloying-induced lattice strain and chemical disorder. Surface analyses using scanning electron microscopy and optical profilometry revealed pronounced compositional effects on pinhole morphology and roughness, with Zr-containing coatings exhibiting deeper and wider surface defects. The combined experimental–theoretical approach establishes a clear correlation between interfacial interactions, free-volume evolution, lattice dynamics, and surface morphology in multicomponent TiCN coatings, offering guidance for the rational design of advanced protective coating systems.