| Issue |
EPL
Volume 108, Number 1, October 2014
|
|
|---|---|---|
| Article Number | 16001 | |
| Number of page(s) | 6 | |
| Section | Condensed Matter: Structural, Mechanical and Thermal Properties | |
| DOI | https://doi.org/10.1209/0295-5075/108/16001 | |
| Published online | 25 September 2014 | |
Mechanical anisotropy and origin of shear plastic deformation of tetragonal B4C4
1 Center of Interdisciplinary Studies and Key Laboratory for Magnetism and Magnetic Materials of the Ministry of Education, Lanzhou University - Lanzhou 730000, China
2 Department of Physics and Information Technology, Nonlinear Research Institute, Baoji University of Arts and Sciences - Baoji 721016, China
3 Beijing Computational Science Research Center - Beijing 100084, China
(a) scu_zheng@163.com
(b) zhmgbj@126.com
Received: 11 June 2014
Accepted: 6 September 2014
Based on first-principle calculations, we fundamentally investigate the anisotropic mechanical properties and atomistic deformation mechanism of the recent proposed ultra-incompressible tetragonal t-B4C4. The obtained results reveal that the t-B4C4 exhibits a pronounced elastic anisotropy according to the distributions of elastic moduli along the principal crystal orientations. It is found that the ideal shear strength in the direction of ![$(110)[1\bar{1}1]$](/articles/epl/abs/2014/19/epl16565/epl16565_tex_eq1.png)
dominates the shear plastic deformation for t-B4C4. The lattice instability of the t-B4C4 can be revealed by the bond lengths and electron localization function as functions of shear strain. The results show that the failure modes of t-B4C4 can be attributed to the breaking of C-B bonds in the C2B8 double quadrangular pyramid.
PACS: 62.20.M- – Structural failure of materials / 62.20.fq – Plasticity and superplasticity / 62.20.de – Elastic moduli
© EPLA, 2014
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