First‐principles study, fabrication, and characterization of (Hf0.2Zr0.2Ta0.2Nb0.2Ti0.2)C high‐entropy ceramic

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2019-07-01
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Ye, Beilin
Wen, Tongqi
Huang, Kehan
Wang, Cai-Zhuang
Chu, Yanhui
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Physics and Astronomy
Physics and astronomy are basic natural sciences which attempt to describe and provide an understanding of both our world and our universe. Physics serves as the underpinning of many different disciplines including the other natural sciences and technological areas.
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Ames National LaboratoryPhysics and Astronomy
Abstract

The formation possibility of (Hf0.2Zr0.2Ta0.2Nb0.2Ti0.2)C high‐entropy ceramic (HHC‐1) was first analyzed by the first‐principles calculations, and then, it was successfully fabricated by hot‐pressing sintering technique at 2073 K under a pressure of 30 MPa. The first‐principles calculation results showed that the mixing enthalpy and mixing entropy of HHC‐1 were −0.869 ± 0.290 kJ/mol and 0.805R, respectively. The experimental results showed that the as‐prepared HHC‐1 not only had an interesting single rock‐salt crystal structure of metal carbides but also possessed high compositional uniformity from nanoscale to microscale. By taking advantage of these unique features, it exhibited extremely high nanohardness of 40.6 ± 0.6 GPa and elastic modulus in the range from 514 ± 10 to 522 ± 10 GPa and relatively high electrical resistivity of 91 ± 1.3 μΩ·cm, which could be due to the presence of solid solution effects.

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