Ab initio study on the anisotropy of mechanical behavior and deformation mechanism for boron carbide
Li Jun1, Xu Shuang1, Zhang Jin-Yong2, Liu Li-Sheng2, †, Liu Qi-Wen1, She Wu-Chang1, Fu Zheng-Yi2
       

(color online) Maps of the electron localization function (ELF) for uniaxial compression along the a axis at different strain levels in the plane containing the atoms in the chain (B and C and boron polar (B and equatorial (B atoms of icosahedra. (a) corresponds to the initial stage, (b) , (c) where the abrupt chain bending occurs but no extra bond is formed, (d) , (e) , (f) where the B11C icosahedra are highly distorted but still not broken, (g) where the icosahedra are broken, leading to the formation of some extra new bonds, and (h) corresponds to an unrecoverable deformation.