1. Theoretical Investigation on the Elastic Properties, Bond Stiffness and Hardness of WX2 (X = B and N).
- Author
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Li, Junyu, Zhao, Jianling, Tang, Cuiming, Chen, Peng, and Feng, Shiquan
- Abstract
In this paper, we investigate the elastic properties, bond stiffness, hardness and Debye temperatures for hexagonal P6
3 /mmc WX2 (X = B or N). It is observed that these two compounds are stable in mechanics. Both these two have three typical bonds, W-X bonds, X-X and W-W bonds. By investigating the bond stiffness of these three types of bonds, we found that the bulk modulus of WX2 is mainly determined by W-X and W-W bonds, while the shear modulus is mainly determined by X-X bonds. In addition, using a theoretical model, we evaluate the hardness of these two compounds. Results showed that the Vickers hardness of WN2 is much lower than that of WB2 . What's more, by calculating the Debye temperatures, we found the melting point of WN2 is much lower than WB2 , and the overall chemical bonds in WB2 are stronger than that of WN2 . [ABSTRACT FROM AUTHOR]- Published
- 2019
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