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Computational and experimental investigation of refractory high entropy alloy Mo15Nb20Re15Ta30W20
2020
Journal of Materials Research and Technology
j m a t e r r e s t e c h n o l . 2 0 2 0;9(x x):8929-8936 w w w . j m r t . c o m . b r a b s t r a c t In this study, refractory high entropy alloys (RHEAs) Mo were studied by applying the firstprinciples density functional theory (DFT) method. The DFT calculation was based on a large unit cell model of 100-atom supercell, with randomly distributed five element atoms. The mechanical properties of all three RHEAs were calculated and compared. Comparing with the other two RHEAs, Mo 15 Nb 20 Re
doi:10.1016/j.jmrt.2020.06.036
fatcat:qcwcm7pxebhapmkk6opw4uwm5a