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) in the same plane as that in Fig. 5 for uniaxial compression along the c axis at (a) corresponds to the initial stage, (b) and (c) corresponds to the elastic deformation, (d) where the B atoms in the chain center make extra atomic bonds with the equatorial B atoms in neighboring deformed icosahedra, leading to the unrecoverable deformation.