Super-hardening and localized plastic deformation behaviors in ZrB2 –TaВ2 ceramics

Abstract

A systematic study of the Zr-Ta-B system was performed using thermodynamic and ab initio modeling, nanoindentation, and high-resolution TEM and XRD experiments. The phase diagram (convex hull) of the Zr-Ta-B system was constructed at 0 K, and phase stability, lattice parameters, and mechanical properties of ZrB2-TaB2 solid solutions were ascertained in silico. Dense ceramics were manufactured by the combination of combustion synthesis and hot pressing techniques. As opposed to theoretically predicted complete solubility in the ZrB2-TaB2 solid solution series, the highest experimentally attained Ta content in the ZrB2-based solution was 25–27 at%, suggesting that at higher Ta contents a non-equilibrium phase composition is formed during combustion synthesis and inherited during hot pressing. Single-phase ZrB2-TaB2 solid solutions displayed a super-hardness up to 70 GPa and coefficient of elastic recovery as high as 99.7%, which surpasses wurtzite and cubic boron nitride and rivals polycrystalline diamonds. In the non-equilibrium samples with multiple solid solutions, a “pop-in” (localized plastic deformation) effect was discovered and attributed to the formation of shearing bands, microtwins, and dislocation loops. The composition-dependent switching between super-hardened and locally plastic mechanical behavior allows the creation of a new generation of ultra-high temperature ceramic composites.