First‐principles study, fabrication, and characterization of (Hf0.2Zr0.2Ta0.2Nb0.2Ti0.2)C high‐entropy ceramic
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...
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| Published in | Journal of the American Ceramic Society Vol. 102; no. 7; pp. 4344 - 4352 |
|---|---|
| Main Authors | , , , , |
| Format | Journal Article |
| Language | English |
| Published |
Columbus
Wiley Subscription Services, Inc
01.07.2019
Wiley-Blackwell |
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| 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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| AbstractList | 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. The formation possibility of (Hf 0.2 Zr 0.2 Ta 0.2 Nb 0.2 Ti 0.2 )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 MP a. 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 GP a and elastic modulus in the range from 514 ± 10 to 522 ± 10 GP a and relatively high electrical resistivity of 91 ± 1.3 μΩ·cm, which could be due to the presence of solid solution effects. 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. |
| Author | Ye, Beilin Huang, Kehan Wen, Tongqi Wang, Cai‐Zhuang Chu, Yanhui |
| Author_xml | – sequence: 1 givenname: Beilin surname: Ye fullname: Ye, Beilin organization: South China University of Technology – sequence: 2 givenname: Tongqi surname: Wen fullname: Wen, Tongqi organization: Iowa State University – sequence: 3 givenname: Kehan surname: Huang fullname: Huang, Kehan organization: South China University of Technology – sequence: 4 givenname: Cai‐Zhuang surname: Wang fullname: Wang, Cai‐Zhuang organization: Iowa State University – sequence: 5 givenname: Yanhui orcidid: 0000-0001-6158-7501 surname: Chu fullname: Chu, Yanhui email: chuyh@scut.edu.cn organization: South China University of Technology |
| BackLink | https://www.osti.gov/biblio/1490123$$D View this record in Osti.gov |
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| ContentType | Journal Article |
| Copyright | 2018 The American Ceramic Society 2019 American Ceramic Society |
| Copyright_xml | – notice: 2018 The American Ceramic Society – notice: 2019 American Ceramic Society |
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| Snippet | 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... The formation possibility of (Hf 0.2 Zr 0.2 Ta 0.2 Nb 0.2 Ti 0.2 )C high‐entropy ceramic ( HHC ‐1) was first analyzed by the first‐principles calculations, and... |
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| SubjectTerms | Crystal structure electrical resistivity Enthalpy Entropy Entropy of formation first‐principles calculations high‐entropy ceramics Mathematical analysis mechanical properties Metal carbides Modulus of elasticity Nanohardness Principles Solid solutions |
| Title | First‐principles study, fabrication, and characterization of (Hf0.2Zr0.2Ta0.2Nb0.2Ti0.2)C high‐entropy ceramic |
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