Characterization and modeling of a MoTaVWZr high entropy alloy

Highlights: • MoTaVWZr alloy was prepared from an equimolar mixture. • The alloy solidifies as two body-centered cubic (bcc) crystal phases, and two secondary phases (laves C15 and hcp). • Crystal structure, density and Vickers microhardness are reported for this high entropy alloy. • Atomistic modeling, using the BFS method, results are in agreement and support the experimental findings. As part of a project for developing Accelerator–Based Boron Neutron Capture Therapy (AB-BNCT), for which the generation of neutrons through nuclear reactions like ⁹Be(d,n) is necessary, a new material that preserves its physical and mechanical properties for a sufficient length of time under irradiation conditions and hydrogen damage is needed. In this work, a high entropy MoTaVWZr alloy (HEA) is considered for this task, because each one of the constituents is already good by itself under extreme irradiation condition. The structure, microstructure, density, Vickers hardness and melting temperature are reported for this HEA. Atomistic modeling results are in agreement with the experimental findings.