Impact of aluminum doping on the thermo-physical properties of refractory medium-entropy alloys
作者： Fuyang Tian , Yang Wang , Levente Vitos
DOI: 10.1063/1.4973489
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摘要: We investigate the elastic moduli, ideal tensile strength, and thermodynamic properties of TiVNb AlTiVNb refractory medium-entropy alloys (HEAs) by using ab initio alloy theories: coherent potential approximation (CPA), special quasi-random supercell (SQS), a 432-atom (SC). find that with increasing number components, SQS constants become sensitive to size. The predicted moduli are consistent available experiments. Aluminum doping decreases stability body centered cubic phase. strength calculation indicates adding equiatomic Al random solid solution increases intrinsic (ideal strain increase from 9.6% 11.8%) (from 9.6 5.7 GPa). Based on equation states calculated CPA SC methods, obtained two methods assessed. L21 (Ti-Al-V-Nb) is be...
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