Thermodynamic Study of Hf Addition to Refractory Low-Activation W-Ta-Cr-V High Entropy Alloy from First-Principles

Thermodynamic Study of Hf Addition to Refractory Low-Activation W-Ta-Cr-V High Entropy Alloy from First-Principles

Thermodynamic Study of Hf Addition to Refractory Low-Activation W-Ta-Cr-V High Entropy Alloy from First-Principles 150 150 UKAEA Opendata
UKAEA-CCFE-PR(22)43

Thermodynamic Study of Hf Addition to Refractory Low-Activation W-Ta-Cr-V High Entropy Alloy from First-Principles

We present a Density Functional Theory-based cluster expansion model to predict the configurational energy of a multicomponent W-Ta-Cr-V-Hf quinary alloy. Coupled with Monte Carlo simulations we show that the model reproduces experimental observations. We analyze the thermodynamic properties of the W.31Ta.34Cr.05V.27Hf.03 system and observe two phase transitions, one order-disorder transition at 1250 K from fully random to separation and a second one at 620 K from separation to ordering.

Collection:
Journals
Journal:
Journal of Materials Research
Publisher:
Springer