Ab Initio Predicted Alloying Effects on the Elastic Properties of AlxHf1−xNbTaTiZr High Entropy Alloys

Coatings

Shaohui Li¹  Xiaodong Ni¹  Fuyang Tian¹ 

[1] Department of Physics, University of Science and Technology Beijing, Beijing 100083, China; E-Mails:

关键词: high-entropy alloys;    ab initio;    alloying effect;    equilibrium bulk properties;    elastic anisotropy;    ideal tensile strength;   

DOI  :  10.3390/coatings5030366

来源: mdpi

【 摘 要 】

Using ab initio alloy theory, we investigate the equilibrium bulk properties and elastic mechanics of the single bcc solid-solution Al_xHf_1−xNbTaTiZr (x = 0–0.7, 1.0) high entropy alloys. Ab initio predicted equilibrium volume is consistent with the available experiment. We make a detailed investigation of the alloying effect of Al and Hf on the equilibrium volume, elastic constants and polycrystalline elastic moduli. Results imply that the partial replacement Hf with Al increases the stability of the bcc phase and decreases the ductility of the Al_xHf_1−xNbTaTiZr HEAs. The inner ductility of Al_0.4Hf_0.6NbTaTiZr is predicted by the calculations of ideal tensile strength.

【 授权许可】

CC BY   
© 2015 by the authors; licensee MDPI, Basel, Switzerland.