Ames Laboratory; Physics and Astronomy
Physics and Astronomy, Ames Laboratory
The formation possibility of a new (Zr0.25Nb0.25Ti0.25V0.25)C high-entropy ceramics (ZHC-1) was first analyzed by the first-principles calculations and thermodynamical analysis and then it was successfully fabricated by hot pressing sintering technique. The first-principles calculation results showed that the mixing enthalpy of ZHC-1 was 5.526 kJ/mol and the mixing entropy of ZHC-1 was in the range of 0.693R–1.040R. The thermodynamical analysis results showed that ZHC-1 was thermodynamically stable above 959 K owing to its negative mixing Gibbs free energy. The experimental results showed that the as-prepared ZHC-1 (95.1% relative density) possessed a single rock-salt crystal structure, some interesting nanoplate-like structures, and high compositional uniformity from nanoscale to microscale. By taking advantage of these unique features, compared with the initial metal carbides (ZrC, NbC, TiC and VC), it showed a relatively low thermal conductivity of 15.3 ± 0.3 W/(m⋅K) at room temperature, which was due to the presence of solid solution effects, nanoplates and porosity. Meanwhile, it exhibited the relatively high nanohardness of 30.3 ± 0.7 GPa and elastic modulus of 460.4 ± 19.2 GPa and the higher fracture toughness of 4.7 ± 0.5 MPa m1/2, which were attributed to the solid solution strengthening mechanism and nanoplate nanoplate pullout and microcrack deflection toughening mechanism.
DOE Contract Number(s)
Department of Energy Subject Categories
36 MATERIALS SCIENCE
Iowa State University Digital Repository, Ames IA (United States)