Yonggang Tong1,*, Kai Yang1, Pengfei Li1, Yongle Hu1, Xiubing Liang2,*, Jian Liu3, Yejun Li4, Jingzhong Fang1
CMC-Computers, Materials & Continua, Vol.86, No.1, pp. 1-15, 2026, DOI:10.32604/cmc.2025.071890
- 10 November 2025
Abstract (NbZrHfTi)C high-entropy ceramics, as an emerging class of ultra-high-temperature materials, have garnered significant interest due to their unique multi-principal-element crystal structure and exceptional high-temperature properties. This study systematically investigates the mechanical properties of (NbZrHfTi)C high-entropy ceramics by employing first-principles density functional theory, combined with the Debye-Grüneisen model, to explore the variations in their thermophysical properties with temperature (0–2000 K) and pressure (0–30 GPa). Thermodynamically, the calculated mixing enthalpy and Gibbs free energy confirm the feasibility of forming a stable single-phase solid solution in (NbZrHfTi)C. The calculated results of the elastic stiffness constant indicate that the… More >