Exploring the Mechanical Anisotropy and Ideal Strengths of Tetragonal B4CO4
AbstractFirst-principles calculations were employed to study the mechanical properties for the recently proposed tetragonal B4CO4 (t-B4CO4). The calculated structural parameters and elastic constants of t-B4CO4 are in excellent agreement with the previous results, indicating the reliability of the present calculations. The directional dependences of the Young’s modulus and shear modulus for t-B4CO4 are deduced in detail, and the corresponding results suggest that the t-B4CO4 possesses a high degree of anisotropy. Based on the strain-stress method, the ideal tensile and shear strengths along the principal crystal directions are calculated, and the obtained results indicate that the shear mode along (001) slip system dominates the plastic deformation of t-B4CO4, which can be ascribed to the breaking of the ionic B-O bonds. The weakest ideal shear strength of 27.5 GPa demonstrates that the t-B4CO4 compound is not a superhard material, but is indeed a hard material. Based on the atomic explanation that the ternary B-C-O compounds cannot acquire high ideal strength, we propose two possible routes to design superhard B-C-O compounds. View Full-Text
- Supplementary File 1:
PDF-Document (PDF, 612 KB)
Scifeed alert for new publicationsNever miss any articles matching your research from any publisher
- Get alerts for new papers matching your research
- Find out the new papers from selected authors
- Updated daily for 49'000+ journals and 6000+ publishers
- Define your Scifeed now
Zheng, B.; Zhang, M.; Wang, C. Exploring the Mechanical Anisotropy and Ideal Strengths of Tetragonal B4CO4. Materials 2017, 10, 128.
Zheng B, Zhang M, Wang C. Exploring the Mechanical Anisotropy and Ideal Strengths of Tetragonal B4CO4. Materials. 2017; 10(2):128.Chicago/Turabian Style
Zheng, Baobing; Zhang, Meiguang; Wang, Canjun. 2017. "Exploring the Mechanical Anisotropy and Ideal Strengths of Tetragonal B4CO4." Materials 10, no. 2: 128.
Note that from the first issue of 2016, MDPI journals use article numbers instead of page numbers. See further details here.