Structural stability and mechanical properties of B2 ordered refractory AlNbTiVZr high entropy alloys

Local chemical ordering influences significantly the mechanical properties of refractory high entropy alloys. In this work, the effects of local chemical ordering on the structural stability and mechanical properties of AlNbVTiZr are investigated by using first-principles simulations. It is shown that the AleZr bond dominates the chemical ordering for ordered configurations. The local ordering enhances the structural stability, elastic property and ideal strength. By taking into account the effects of temperature and pressure, we found that chemical ordering mediates the thermodynamic properties of the AlNbVTiZr alloy, but it has little effect at high pressure. (c) 2021 Elsevier B.V. All rights reserved.

Automated summary

The study shows that local chemical ordering significantly influences the structural stability and mechanical properties of refractory high entropy alloys. Local ordering enhances the structural stability, elastic property and ideal strength of the alloys. Chemical ordering mediates the thermodynamic properties of the alloys under different temperature and pressure conditions, but has little effect at high pressure.