Mechanical properties of AlMgB14-related boron carbide structures. A first principle study

Abstract

We examine the effects produced by replacing B-B interlayer bonds by C-C bonds in AlMgB14-related boron network on its mechanical properties. The elastic constants, Vickers hardness and shear strength are evaluated by means of first principle computer simulations on the basis of density functional theory. The results of simulations suggest a possibility of existence of several orthorhombic boron carbide phases with strongly enhanced mechanical properties with the Young modulus and Vickers hardness being within the range of 550-600 GPa and 43-50 GPa, respectively