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

Orthorhombic metal carbide-borides MeC2B12 (Me = Mg, Ca, Sr) from first principles: structure, stability and mechanical properties

“…The calculated structural parameters, densities, formation and cohesive energies are given in tables 1 and 2, and the x-ray diffraction (XRD) patterns are shown in figure 2. For comparison, we give in the Tables the results for MgC 2 B 12 and AlMgB 14 compounds obtained in similar theoretical [5,6,34] and experimental [15] studies.…”

“…More accurate empirical models [30,31] allowing for this correlation, satisfactory Theoretical and experimental results of other authors are given in parenthesis and curly brackets, respectively. The results for AlMgB 14 are borrowed from the previous work of the authors [34]. The numbers given for elastic moduli are Voigt-Reuss-Hill averages; theoretical Vickers hardness was evaluated from elastic constants on the basis of the models given in [31] and [30] (in brackets).…”

“…Theoretical results of other authors are given in parenthesis. The results for AlMgB 14 are borrowed from the previous work of the authors[34].…”