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Updated: Feb 6, 2026

Determination of Thermodynamic Properties of Alkaline Earth-liquid Metal Alloys Using the Electromotive Force Technique
Published on: November 3, 2017
Phase-transition assisted mechanical behavior of TiZrHfTax high-entropy alloys
Shuo Huang1, Wei Li2, Erik Holmström3
1Applied Materials Physics, Department of Materials Science and Engineering, Royal Institute of Technology, Stockholm, SE-100 44, Sweden. shuoh@kth.se.
Abstract:
Recent developments of high-entropy alloys with high strength and high ductility draw attention to the metastability-engineering strategy. Using first-principle theory, here we demonstrate that reducing the Ta level in the refractory TiZrHfTax system destabilizes the body-centered cubic (bcc) phase and leads to the appearance of the hexagonal close-packed (hcp) phase embedded in the bcc matrix. The alloying-induced features of the elastic parameters for the cubic and hexagonal structures are mapped out in details, and strong sensitivity to the crystal lattice and chemistry is revealed. Results show softening of the bcc matrix with decreasing Ta concentration which ensures ductile behavior. However, the elastically nearly isotropic hcp precipitates possess enhanced resistance against shear which promotes strengthening of the TiZrHfTax dual-phase system. The present atomic-level insight provides strong evidence to the experimental observation, and emphasizes the significance of quantum-design for advanced multi-phase high-entropy alloys with excellent strength-ductility combinations.
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