Investigation of Mechanical, and Phase Properties of Refractory High Entropy Alloy MoNbTaTiW

Abstract

The refractory high entropy alloys are emerging as a new applicable material for high thermal stability. The Density functional Theory (DFT) was employed to study the mechanical properties of MoNbTaTiW. The calculated Shear modulus, Young’s modulus, and Possion’s ratio are in excellent agreements with available experimental values. The calculated phase diagram of MoNbTaTiW using TCHEA1 data base shows an existence of a stable body centered cubic (BCC) phase at high temperature, which agrees with experimental results. When the composition of Ti is lowered in MoTaTiTaW alloy, increasing trend for BCC phase than HCP is observed. These findings may provide a base for a new research and application for MoNbTaTiW.