Abstract
Dual-phase compositionally complex ultra-high temperature ceramics were formulated by incorporating different Groups V and VI metals such as V, Nb, Ta, Cr, Mo, or W into a base composition containing the Group IV elements, Hf, Ti, and Zr. Metal distribution was predicted using first-principles-based thermodynamics simulations and compared with experimental results. Moreover, phase stability, microstructure, and mechanical properties were evaluated for all of the ceramics. Compositions containing Cr, V, Nb, or Ta formed dual-phase ceramics containing only one boride and one carbide phase, while compositions containing Mo or W developed an additional third phase. The experimental metal distribution trends generally aligned with thermodynamic predictions, except for compositions containing V, which showed unexpected segregation behavior that was influenced by complex interactions of the coexistence of boride and carbide structures. From the dual-phase ceramics, the composition containing V exhibited the highest hardness (HV1 = 25.5 ± 0.6 GPa) combined with smaller grain sizes (0.99 ± 0.33 μm for the boride and 1.15 ± 0.31 μm for the carbide phases). Our findings provide insights into phase formation and elemental segregation and help the design of next-generation dual-phase UHTCs with tailored properties.
Recommended Citation
A. C. Feltrin et al., "Integrated Computational and Experimental Investigation of Groups V and VI Metals in (M,Hf,Ti,Zr)B2-(M,Hf,Ti,Zr)C Ceramics," Journal of the European Ceramic Society, vol. 46, no. 2, article no. 117779, Elsevier, Feb 2026.
The definitive version is available at https://doi.org/10.1016/j.jeurceramsoc.2025.117779
Department(s)
Materials Science and Engineering
Publication Status
Full Text Access
Keywords and Phrases
Compositionally complex ceramics; Dual-phase ultra-high temperature ceramics; Thermodynamics
International Standard Serial Number (ISSN)
1873-619X; 0955-2219
Document Type
Article - Journal
Document Version
Citation
File Type
text
Language(s)
English
Rights
© 2026 Elsevier, All rights reserved.
Publication Date
01 Feb 2026

Comments
Office of Naval Research, Grant N00014–21–1–2515