고강도 및 내열성능이 향상된 방화복 코팅원단용 (Ti1-xHfx)N 고용체 열-기계적 특성 연구

Abstract

We investigated temperature-dependent elastic properties of (Ti1-xHfx)N solid solutions via first principles calculations. The precise convergence tests were performed to obtaining reliable results. Equilibrium structure information of the (Ti1-xHfx)N was in a good agreement with previous results indicated the reliability of the results. The difference between the bulk moduli of TiN and HfN at 0 K and 3000 K is approximately 30 GPa, indicating that the elastic properties are not well maintained at high temperatures. At each temperature, the shear, and Young's moduli of (Ti0.5Hf0.5)N were greater than those of HfN. In addition, (Ti0.5Hf0.5)N maintained its high hardness, which was not significantly affected by temperature. As a result, ternary nitride, such as (Ti0.5Hf0.5)N, is a more promising material for extreme environments than a simple binary system. The results of this study will provide useful information on how to develop new (Ti1-xHfx)N coating materials for fire proximity suits.