Abstract:Zirconium carbide (ZrC) and hafnium carbide (HfC) have been identified as ultrahigh temperature ceramics with excellent thermal conductivity performance. The temperature profiles of ZrC and HfC have been studied; however, the temperature-dependent of solid solution of (Zr 0.5 Hf 0.5 )C is still lacking. Herein, we report the temperature-dependent elastic and thermodynamic properties of (Zr 0.5 Hf 0.5 )C using first-principles calculations. The covalent characters of ZrC, HfC, and (Zr 0.5 Hf 0.5 )C are weakened… Show more
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