The formation possibility of a new (Zr0.25Nb0.25Ti0.25V0.25)C high-entropy
ceramic (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 pullout and microcrack
deflection toughening mechanism.Comment: 49 pages,6 figures, 4 table
