Assessing the effect of composition on the structural, mechanical and thermal stability of high entropy ceramic (TiNbHfTaW)C: density functional theory study (opens in new tab)

Refractory metal based High Entropy Ceramic Carbides (HEC) are promising materials for extreme environmental applications such as energy, tooling, aerospace and defense owing to their superior thermal and mechanical stability. Present work uses density functional theory calculations to identify optimum compositions of a new class of HECs comprised of carbides of refractory metals such as Ti, Nb, Hf, Ta, and W exhibiting superior structural, mechanical and thermal stability. Total 13 compositi...