Ab Initio Predicted Alloying Effects on the Elastic Properties of AlxHf1−xNbTaTiZr High Entropy Alloys
Source abstract
Abstract
Using ab initio alloy theory, we investigate the equilibrium bulk properties and elastic mechanics of the single bcc solid-solution AlxHf1−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 AlxHf1−xNbTaTiZr HEAs. The inner ductility of Al0.4Hf0.6NbTaTiZr is predicted by the calculations of ideal tensile strength.
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Research context
OpenAlex topics: High Entropy Alloys Studies · High-Temperature Coating Behaviors · Intermetallics and Advanced Alloy Properties
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
Department of Physics, University of Science and Technology Beijing, Beijing 100083, China
Applied Materials Physics, Department of Materials Science and Engineering, Royal Institute of Technology, Stockholm SE-100 44, Sweden
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