Design principles of low-activation high entropy alloys

The present study combines density functional theory (DFT) based calculations and experimental techniques to investigate the formation of equiatomic quaternary “low-activation" high entropy alloys (HEAs) for nuclear fission/fusion applications. DFT are adopted screen possible single-phase ternary in chemical space consisting low-activation elements (Ti, V, Cr, Mn, Fe, Ta W). results indicate that TaTiVW CrFeMnV can be formed a single body centred cubic phase (BCC). Based on screening, HEAs fabricated by vacuum arc melting process. Further characterisation X-ray diffraction, energy dispersive X-Ray analysis, fluorescence scanning electron microscopy confirms BCC phase. Microstructures CrTiVW CrTaVW as-cast conditions, consist two phases with very similar lattice parameters. CrTaTiW CrTaTiV showed evidence C15 Laves comprising TaCr2 TiV2, respectively.