Effects of Different Contents of Each Component on the Structural Stability and Mechanical Properties of Co-Cr-Fe-Ni High-Entropy Alloys
The structural stability of high-entropy alloys (HEAs) is closely related to their mechanical properties. The precise control of the component content is a key step toward understanding their structural stability and further determining their mechanical properties. In this study, first-principle cal...
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MDPI AG
2021-03-01
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| author | Haibo Liu Cunlin Xin Lei Liu Chunqiang Zhuang |
| author_facet | Haibo Liu Cunlin Xin Lei Liu Chunqiang Zhuang |
| author_sort | Haibo Liu |
| collection | DOAJ |
| description | The structural stability of high-entropy alloys (HEAs) is closely related to their mechanical properties. The precise control of the component content is a key step toward understanding their structural stability and further determining their mechanical properties. In this study, first-principle calculations were performed to investigate the effects of different contents of each component on the structural stability and mechanical properties of Co-Cr-Fe-Ni HEAs based on the supercell model. Co-Cr-Fe-Ni HEAs were constructed based on a single face-centered cubic (FCC) solid solution. Elemental components have a clear effect on their structure and performance; the Cr and Fe elements have an obvious effect on the structural stability and equilibrium lattice constant, respectively. The Ni elements have an obvious effect on stiffness. The Pugh ratios indicate that Cr and Ni addition may increase ductility, whereas Co and Fe addition may decrease it. With increasing Co and Fe contents or decreasing Cr and Ni contents, the structural stability and stiffness of Co-Cr-Fe-Ni HEAs are improved. The structural stability and mechanical properties may be related to the strength of the metallic bonding and covalent bonding inside Co-Cr-Fe-Ni HEAs, which, in turn, is determined by the change in element content. Our results provide the underlying insights needed to guide the optimization of Co-Cr-Fe-Ni HEAs with excellent mechanical properties. |
| first_indexed | 2024-03-10T13:01:15Z |
| format | Article |
| id | doaj.art-b6c18d70f49e4563a420026b41029bfd |
| institution | Directory Open Access Journal |
| issn | 2076-3417 |
| language | English |
| last_indexed | 2024-03-10T13:01:15Z |
| publishDate | 2021-03-01 |
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| spelling | doaj.art-b6c18d70f49e4563a420026b41029bfd2023-11-21T11:31:22ZengMDPI AGApplied Sciences2076-34172021-03-01116283210.3390/app11062832Effects of Different Contents of Each Component on the Structural Stability and Mechanical Properties of Co-Cr-Fe-Ni High-Entropy AlloysHaibo Liu0Cunlin Xin1Lei Liu2Chunqiang Zhuang3College of Geography and Environmental Science, Northwest Normal University, Lanzhou 730070, ChinaCollege of Geography and Environmental Science, Northwest Normal University, Lanzhou 730070, ChinaUnited Laboratory of High-Pressure Physics and Earthquake Science, Institute of Earthquake Forecasting, China Earthquake Administration, Beijing 100036, ChinaInstitute of Microstructure and Property of Advanced Materials, Beijing University of Technology, Beijing 100124, ChinaThe structural stability of high-entropy alloys (HEAs) is closely related to their mechanical properties. The precise control of the component content is a key step toward understanding their structural stability and further determining their mechanical properties. In this study, first-principle calculations were performed to investigate the effects of different contents of each component on the structural stability and mechanical properties of Co-Cr-Fe-Ni HEAs based on the supercell model. Co-Cr-Fe-Ni HEAs were constructed based on a single face-centered cubic (FCC) solid solution. Elemental components have a clear effect on their structure and performance; the Cr and Fe elements have an obvious effect on the structural stability and equilibrium lattice constant, respectively. The Ni elements have an obvious effect on stiffness. The Pugh ratios indicate that Cr and Ni addition may increase ductility, whereas Co and Fe addition may decrease it. With increasing Co and Fe contents or decreasing Cr and Ni contents, the structural stability and stiffness of Co-Cr-Fe-Ni HEAs are improved. The structural stability and mechanical properties may be related to the strength of the metallic bonding and covalent bonding inside Co-Cr-Fe-Ni HEAs, which, in turn, is determined by the change in element content. Our results provide the underlying insights needed to guide the optimization of Co-Cr-Fe-Ni HEAs with excellent mechanical properties.https://www.mdpi.com/2076-3417/11/6/2832CoCrFeNihigh-entropy alloysstructural stabilitymechanical propertiesfirst principles |
| spellingShingle | Haibo Liu Cunlin Xin Lei Liu Chunqiang Zhuang Effects of Different Contents of Each Component on the Structural Stability and Mechanical Properties of Co-Cr-Fe-Ni High-Entropy Alloys Applied Sciences CoCrFeNi high-entropy alloys structural stability mechanical properties first principles |
| title | Effects of Different Contents of Each Component on the Structural Stability and Mechanical Properties of Co-Cr-Fe-Ni High-Entropy Alloys |
| title_full | Effects of Different Contents of Each Component on the Structural Stability and Mechanical Properties of Co-Cr-Fe-Ni High-Entropy Alloys |
| title_fullStr | Effects of Different Contents of Each Component on the Structural Stability and Mechanical Properties of Co-Cr-Fe-Ni High-Entropy Alloys |
| title_full_unstemmed | Effects of Different Contents of Each Component on the Structural Stability and Mechanical Properties of Co-Cr-Fe-Ni High-Entropy Alloys |
| title_short | Effects of Different Contents of Each Component on the Structural Stability and Mechanical Properties of Co-Cr-Fe-Ni High-Entropy Alloys |
| title_sort | effects of different contents of each component on the structural stability and mechanical properties of co cr fe ni high entropy alloys |
| topic | CoCrFeNi high-entropy alloys structural stability mechanical properties first principles |
| url | https://www.mdpi.com/2076-3417/11/6/2832 |
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