Author: H. Kim^†, J. Kim, S. Chun, S. Jin, Y-S. Choi, J. Kim*



Title: A Study of Thermo-mechanical Properties of (Ti_1-xHf_x)N Solid Solution of High-strength and Heat-resistant Coated Fabrics for Fire Proximity Suits

Journal: 한국섬유공학회

Year: 2022

Abstract:

We investigated temperature-dependent elastic properties of (Ti_1-xHf_x)N solid solutions via first principles calculations. The precise convergence tests were performed to obtaining reliable results. Equilibrium structure information of the (Ti_1-xHf_x)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 (Ti_0.5Hf_0.5)N were greater than those of HfN. In addition, (Ti_0.5Hf_0.5)N maintained its high hardness, which was not significantly affected by temperature. As a result, ternary nitride, such as (Ti_0.5Hf_0.5)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 (Ti_1-xHf_x)N coating materials for fire proximity suits.